A0A096N680_PAPAN Loading...

Mab-21 like 3

AlphaFold DB , UniProt , Accession A0A096N680, Species PAPAN (Papio anubis, Olive baboon), Gene MAB21L3, Length 362 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	35	Very low	50.5	Low	246 Å²	246	105.2 Å²	105.2	100%	1.212	59%	0.588	S	S	*	*				0	107.7	0	-82.4	170.9	159.9	0	0	108.4	S3	M1-S3 PolarHBondContact O-N 3.02Å
2	K	31.7	Very low	52.2	Low	209 Å²	209	101 Å²	101	91%	0.909	57%	0.57	S	S	*	*			trans	-72.2	125.2	-179.8	-75.4	178.4	176.6	177.1	0	109	L4	K2-L4 PolarHBondContact O-N 3.37Å
3	S	33.5	Very low	53.8	Low	112 Å²	112	93.8 Å²	93.8	78%	0.783	53%	0.529	S	S	*	.			trans	-62	114	170	55.9	0	0	0	0	108.9	M1 T5	M1-S3 PolarHBondContact O-N 3.02Å; S3-T5 PolarHBondContact O-N 3.14Å
4	L	39.3	Very low	55.3	Low	128 Å²	128	89.6 Å²	89.6	67%	0.67	50%	0.504	S	S	*	.			trans	-59.7	122.9	169.8	-85.9	131.6	0	0	0	108.5	K2	K2-L4 PolarHBondContact O-N 3.37Å
5	T	46.8	Very low	57.1	Low	105 Å²	105	90.3 Å²	90.3	64%	0.644	51%	0.507	S	S	*	.			trans	-63.2	152.6	172.2	49.3	0	0	0	0	109.5	S3 G7 G8 L9	S3-T5 PolarHBondContact O-N 3.14Å; T5-G7 PolarHBondContact O-N 3.45Å; T5-G8 PolarHBondContact O-N 2.77Å; T5-L9 PolarHBondContact O-N 3.13Å
6	V	50.3	Low	58.6	Low	106 Å²	106	89.4 Å²	89.4	64%	0.642	50%	0.495	S	S	*	.	H	α-helix	trans	-52.5	-31.7	-178.9	176.6	0	0	0	0	112.5	E10	V6-E10 PolarHBondContact O-N 2.91Å
7	G	54.1	Low	60.1	Low	37 Å²	37	85 Å²	85	38%	0.381	47%	0.472	S	S	.	.	H	α-helix	trans	-67.4	-44.2	174.6	0	0	0	0	0	114	T5 L9 E10 D11	T5-G7 PolarHBondContact O-N 3.45Å; G7-L9 PolarHBondContact O-N 3.42Å; G7-E10 PolarHBondContact O-N 2.86Å; G7-D11 PolarHBondContact O-N 3.41Å; G7-D11 VanDerWaalsContact O-N 3.16Å
8	G	60.3	Low	61.4	Low	24 Å²	24	84.4 Å²	84.4	25%	0.247	47%	0.467	C	S	.	.	H	α-helix	trans	-67	-24.9	179.2	0	0	0	0	0	113.9	T5 C12	T5-G8 PolarHBondContact O-N 2.77Å; G8-C12 WeakPolarHBondContact O-CB 3.42Å; G8-C12 PolarHBondContact O-N 3.31Å
9	L	62.9	Low	62.6	Low	45 Å²	45	85.5 Å²	85.5	24%	0.236	47%	0.472	C	S	.	.	H	α-helix	trans	-72.9	-40.9	174.5	-169.8	64.1	0	0	0	112.2	T5 G7 L13 I359	T5-L9 PolarHBondContact O-N 3.13Å; G7-L9 PolarHBondContact O-N 3.42Å; L9-L13 WeakPolarHBondContact O-CG 3.32Å; L9-L13 PolarHBondContact O-N 3.39Å; L9-I359 HydrophobicContact CD1-CB 3.89Å; L9-I359 HydrophobicContact CD2-CB 4.44Å; L9-I359 HydrophobicContact CD2-CD1 4.15Å; L9-I359 HydrophobicContact CD2-CG1 4.48Å; L9-I359 HydrophobicContact CG-CB 4.46Å; L9-I359 HydrophobicContact CG-CD1 4.36Å
10	E	68.2	Low	63.7	Low	47 Å²	47	84.2 Å²	84.2	22%	0.22	46%	0.459	C	S	.	.	H	α-helix	trans	-63.7	-44.2	177.4	-174.1	167.2	175.2	0	0	110.7	V6 G7 L13 L14 K258 F304	V6-E10 PolarHBondContact O-N 2.91Å; G7-E10 PolarHBondContact O-N 2.86Å; E10-L13 PolarHBondContact O-N 2.71Å; E10-L14 HydrophobicContact CG-CD1 4.12Å; E10-L14 WeakPolarHBondContact O-CD1 3.38Å; E10-L14 WeakPolarHBondContact O-CG 3.49Å; E10-L14 PolarHBondContact O-N 3.46Å; E10-L14 VanDerWaalsContact O-N 3.15Å; E10-K258 WeakPolarHBondContact OE1-CE 3.47Å; E10-K258 IonicContact OE1-NZ 3.23Å; E10-K258 PolarHBondContact OE1-NZ 3.42Å; E10-F304 HydrophobicContact CG-CD1 3.85Å; E10-F304 HydrophobicContact CG-CE1 3.98Å; E10-F304 WeakPolarHBondContact OE1-CD1 3.46Å; E10-F304 WeakPolarHBondContact OE1-CG 3.42Å
11	D	73.1	Confident	64.8	Low	98 Å²	98	86.1 Å²	86.1	52%	0.524	46%	0.46	S	S	.	.	H	α-helix	trans	-65.6	-40.6	179.1	-63	-25.7	0	0	0	112.6	G7 L13 L14 N15	G7-D11 PolarHBondContact O-N 3.41Å; G7-D11 VanDerWaalsContact O-N 3.16Å; D11-L13 PolarHBondContact O-N 3.49Å; D11-L14 PolarHBondContact O-N 2.89Å; D11-N15 VanDerWaalsContact O-CG 3.28Å; D11-N15 PolarHBondContact O-N 3.17Å; D11-N15 PolarHBondContact O-ND2 2.85Å
12	C	71.9	Confident	67.3	Low	55 Å²	55	80.7 Å²	80.7	37%	0.372	43%	0.431	S	S	.	.	H	α-helix	trans	-62.6	-42.1	177.7	-178.5	0	0	0	0	112.5	G8 L14 K16	G8-C12 WeakPolarHBondContact O-CB 3.42Å; G8-C12 PolarHBondContact O-N 3.31Å; C12-L14 VanDerWaalsContact C-N 3.34Å; C12-K16 PolarHBondContact O-N 3.02Å
13	L	71.9	Confident	69.9	Low	8 Å²	8	75.7 Å²	75.7	4%	0.042	41%	0.412	C	S	.	.	H	α-helix	trans	-61.5	-45.2	176.1	-75.1	166.5	0	0	0	111.2	L9 E10 D11 N15 K16 V17 V262 Q265 I359	L9-L13 WeakPolarHBondContact O-CG 3.32Å; L9-L13 PolarHBondContact O-N 3.39Å; E10-L13 PolarHBondContact O-N 2.71Å; D11-L13 PolarHBondContact O-N 3.49Å; L13-N15 PolarHBondContact O-N 2.99Å; L13-K16 PolarHBondContact O-N 3.36Å; L13-V17 WeakPolarHBondContact O-CG2 3.49Å; L13-V17 PolarHBondContact O-N 3.31Å; L13-V262 HydrophobicContact CB-CG2 4.34Å; L13-V262 HydrophobicContact CD1-CG1 3.85Å; L13-V262 HydrophobicContact CD2-CG1 4.33Å; L13-Q265 PolarHBondContact O-OE1 3.29Å; L13-I359 HydrophobicContact CD1-CD1 3.4Å; L13-I359 VanDerWaalsContact CD1-CD1 3.4Å; L13-I359 HydrophobicContact CD2-CD1 4.21Å; L13-I359 HydrophobicContact CD2-CG2 3.89Å; L13-I359 HydrophobicContact CG-CD1 4.25Å
14	L	76.1	Confident	72.6	Confident	34 Å²	34	71.8 Å²	71.8	18%	0.178	38%	0.381	C	S	.	.	H	α-helix	trans	-65	-42.9	-177.5	-65.4	165.2	0	0	0	111.8	E10 D11 C12 K16 V17 D18 K258	E10-L14 HydrophobicContact CG-CD1 4.12Å; E10-L14 WeakPolarHBondContact O-CD1 3.38Å; E10-L14 WeakPolarHBondContact O-CG 3.49Å; E10-L14 PolarHBondContact O-N 3.46Å; E10-L14 VanDerWaalsContact O-N 3.15Å; D11-L14 PolarHBondContact O-N 2.89Å; C12-L14 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 2.9Å; L14-V17 WeakPolarHBondContact O-CB 3.12Å; L14-V17 PolarHBondContact O-N 2.83Å; L14-D18 PolarHBondContact O-N 2.71Å; L14-K258 HydrophobicContact CD2-CD 4.25Å; L14-K258 HydrophobicContact CD2-CG 3.95Å
15	N	81.8	Confident	75	Confident	101 Å²	101	68.7 Å²	68.7	54%	0.54	37%	0.37	S	S	.	.	H	α-helix	trans	-57.3	-39.7	175.1	-69.9	-19.1	0	0	0	111.9	D11 L13 D18 L19	D11-N15 VanDerWaalsContact O-CG 3.28Å; D11-N15 PolarHBondContact O-N 3.17Å; D11-N15 PolarHBondContact O-ND2 2.85Å; L13-N15 PolarHBondContact O-N 2.99Å; N15-D18 PolarHBondContact O-N 3.28Å; N15-L19 WeakPolarHBondContact O-CG 3.47Å; N15-L19 PolarHBondContact O-N 2.69Å
16	K	80.8	Confident	77.1	Confident	75 Å²	75	68.4 Å²	68.4	33%	0.326	36%	0.362	S	S	.	.	H	α-helix	trans	-69.6	-39.6	175.4	-71.3	-174.6	176.4	-173.9	0	112.7	C12 L13 L14 D18 R20	C12-K16 PolarHBondContact O-N 3.02Å; L13-K16 PolarHBondContact O-N 3.36Å; L14-K16 PolarHBondContact O-N 2.9Å; K16-D18 VanDerWaalsContact C-N 3.28Å; K16-D18 PolarHBondContact O-N 3.43Å; K16-R20 WeakPolarHBondContact O-CB 3.46Å; K16-R20 PolarHBondContact O-N 3.41Å
17	V	83.4	Confident	79.1	Confident	15 Å²	15	63.3 Å²	63.3	9%	0.091	33%	0.331	C	S	.	.	H	α-helix	trans	-57.8	-44.3	173.4	172.1	0	0	0	0	110.3	L13 L14 R20 R21 Q261 V262	L13-V17 WeakPolarHBondContact O-CG2 3.49Å; L13-V17 PolarHBondContact O-N 3.31Å; L14-V17 WeakPolarHBondContact O-CB 3.12Å; L14-V17 PolarHBondContact O-N 2.83Å; V17-R20 PolarHBondContact O-N 3.29Å; V17-R21 WeakPolarHBondContact O-CB 3.42Å; V17-R21 PolarHBondContact O-N 3.38Å; V17-Q261 HydrophobicContact CG1-CB 4.08Å; V17-Q261 HydrophobicContact CG1-CG 4.48Å; V17-Q261 HydrophobicContact CG2-CB 4.45Å; V17-V262 HydrophobicContact CG2-CG2 4.49Å
18	D	84.4	Confident	80.9	Confident	74 Å²	74	63 Å²	63	40%	0.396	32%	0.32	S	S	.	.	H	α-helix	trans	-70	-43.7	-176.4	-69.4	-27.9	0	0	0	112.2	L14 N15 K16 R20 R21 Q22	L14-D18 PolarHBondContact O-N 2.71Å; N15-D18 PolarHBondContact O-N 3.28Å; K16-D18 VanDerWaalsContact C-N 3.28Å; K16-D18 PolarHBondContact O-N 3.43Å; D18-R20 VanDerWaalsContact C-N 3.34Å; D18-R20 PolarHBondContact O-N 3.14Å; D18-R21 WeakPolarHBondContact O-CB 3.21Å; D18-R21 PolarHBondContact O-N 2.79Å; D18-Q22 WeakPolarHBondContact O-CG 3.47Å; D18-Q22 PolarHBondContact O-N 3.43Å
19	L	83.9	Confident	82.4	Confident	105 Å²	105	67 Å²	67	55%	0.55	33%	0.332	S	S	.	.	H	α-helix	trans	-57.4	-46.4	173	-75.6	165.8	0	0	0	111.8	N15 R21 Q22 Q23	N15-L19 WeakPolarHBondContact O-CG 3.47Å; N15-L19 PolarHBondContact O-N 2.69Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 2.81Å; L19-Q22 PolarHBondContact O-N 2.61Å; L19-Q23 WeakPolarHBondContact O-CG 3.44Å; L19-Q23 PolarHBondContact O-N 3.24Å; L19-Q23 VanDerWaalsContact O-N 3.1Å
20	R	84.6	Confident	83.9	Confident	60 Å²	60	66.5 Å²	66.5	23%	0.226	33%	0.329	C	S	.	.	H	α-helix	trans	-65.1	-37.7	177.9	-179.7	169.5	-85.2	168.6	11.1	111.4	K16 V17 D18 Q22 Q23 I24 P67 E268 D269	K16-R20 WeakPolarHBondContact O-CB 3.46Å; K16-R20 PolarHBondContact O-N 3.41Å; V17-R20 PolarHBondContact O-N 3.29Å; D18-R20 VanDerWaalsContact C-N 3.34Å; D18-R20 PolarHBondContact O-N 3.14Å; R20-Q22 VanDerWaalsContact C-N 3.35Å; R20-Q23 PolarHBondContact O-N 3.28Å; R20-I24 HydrophobicContact CG-CD1 3.86Å; R20-I24 HydrophobicContact CG-CG1 4.48Å; R20-I24 VanDerWaalsContact O-CG1 3.27Å; R20-I24 WeakPolarHBondContact O-CG1 3.47Å; R20-I24 PolarHBondContact O-N 2.86Å; R20-P67 HydrophobicContact CG-CG 4.26Å; R20-E268 IonicContact CZ-OE2 3.18Å; R20-E268 IonicContact NE-OE2 3.07Å; R20-E268 IonicContact NH1-OE2 3.69Å; R20-E268 PolarHBondContact NH1-OE2 2.88Å; R20-D269 IonicContact CZ-OD1 3.01Å; R20-D269 VanDerWaalsContact CZ-OD1 3.3Å; R20-D269 IonicContact NH1-OD1 2.59Å; R20-D269 PolarHBondContact NH1-OD1 2.92Å; R20-D269 IonicContact NH2-OD1 3.57Å; R20-D269 PolarHBondContact NH2-OD1 3.29Å
21	R	87.1	Confident	85.2	Confident	125 Å²	125	64.2 Å²	64.2	47%	0.472	32%	0.318	S	S	.	.	H	α-helix	trans	-60.6	-45.1	174.7	-172.1	-170	-64	-149.1	13.5	111.1	V17 D18 L19 Q23 I24 S25	V17-R21 WeakPolarHBondContact O-CB 3.42Å; V17-R21 PolarHBondContact O-N 3.38Å; D18-R21 WeakPolarHBondContact O-CB 3.21Å; D18-R21 PolarHBondContact O-N 2.79Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 2.81Å; R21-Q23 PolarHBondContact O-N 2.92Å; R21-I24 PolarHBondContact O-N 3.06Å; R21-S25 WeakPolarHBondContact O-CB 3.44Å; R21-S25 PolarHBondContact O-N 2.91Å; R21-S25 PolarHBondContact O-OG 2.93Å
22	Q	86.9	Confident	86.2	Confident	131 Å²	131	60.3 Å²	60.3	61%	0.612	30%	0.297	S	S	*	.	H	α-helix	trans	-60.2	-44.7	177.6	-70.7	172.9	-14.5	0	0	111.9	D18 L19 R20 I24 S25 Q26	D18-Q22 WeakPolarHBondContact O-CG 3.47Å; D18-Q22 PolarHBondContact O-N 3.43Å; L19-Q22 PolarHBondContact O-N 2.61Å; R20-Q22 VanDerWaalsContact C-N 3.35Å; Q22-I24 PolarHBondContact O-N 3.44Å; Q22-S25 PolarHBondContact O-N 2.92Å; Q22-Q26 PolarHBondContact O-N 3.2Å
23	Q	87.4	Confident	87.3	Confident	105 Å²	105	63.3 Å²	63.3	49%	0.491	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-41.6	176.1	-71.2	177.5	-22.2	0	0	112.8	L19 R20 R21 A27 Y181	L19-Q23 WeakPolarHBondContact O-CG 3.44Å; L19-Q23 PolarHBondContact O-N 3.24Å; L19-Q23 VanDerWaalsContact O-N 3.1Å; R20-Q23 PolarHBondContact O-N 3.28Å; R21-Q23 PolarHBondContact O-N 2.92Å; Q23-A27 PolarHBondContact O-N 3.45Å; Q23-A27 VanDerWaalsContact O-N 3.11Å; Q23-Y181 HydrophobicContact CB-CE1 4.38Å; Q23-Y181 PolarHBondContact O-OH 3.18Å
24	I	90.1	Very high	88.4	Confident	29 Å²	29	63.3 Å²	63.3	15%	0.149	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-42.1	176.6	-68.7	165.6	0	0	0	110.2	R20 R21 Q22 A27 M28 V64 P67 F70	R20-I24 HydrophobicContact CG-CD1 3.86Å; R20-I24 HydrophobicContact CG-CG1 4.48Å; R20-I24 VanDerWaalsContact O-CG1 3.27Å; R20-I24 WeakPolarHBondContact O-CG1 3.47Å; R20-I24 PolarHBondContact O-N 2.86Å; R21-I24 PolarHBondContact O-N 3.06Å; Q22-I24 PolarHBondContact O-N 3.44Å; I24-A27 PolarHBondContact O-N 2.87Å; I24-M28 WeakPolarHBondContact O-CB 3.28Å; I24-M28 PolarHBondContact O-N 3.25Å; I24-V64 HydrophobicContact CD1-CG1 4.35Å; I24-V64 HydrophobicContact CG2-CG1 4.18Å; I24-V64 HydrophobicContact CG2-CG2 4.06Å; I24-P67 HydrophobicContact CD1-CB 4.35Å; I24-P67 HydrophobicContact CG1-CB 4.41Å; I24-F70 HydrophobicContact CG2-CE1 4.12Å; I24-F70 HydrophobicContact CG2-CZ 4.19Å
25	S	90.1	Very high	89.3	Confident	63 Å²	63	61.8 Å²	61.8	44%	0.441	30%	0.296	S	S	.	.	H	α-helix	trans	-60.5	-44.5	177.2	-72	0	0	0	0	112.1	R21 Q22 M28 E29	R21-S25 WeakPolarHBondContact O-CB 3.44Å; R21-S25 PolarHBondContact O-N 2.91Å; R21-S25 PolarHBondContact O-OG 2.93Å; Q22-S25 PolarHBondContact O-N 2.92Å; S25-M28 WeakPolarHBondContact O-CB 3.3Å; S25-M28 PolarHBondContact O-N 3.14Å; S25-E29 PolarHBondContact O-N 3.34Å
26	Q	89.9	Confident	90	Very high	99 Å²	99	60.5 Å²	60.5	46%	0.463	29%	0.286	S	S	.	.	H	α-helix	trans	-62.3	-47.6	176.6	-175.8	-179.1	-2	0	0	111.9	Q22 M28 E29 S179	Q22-Q26 PolarHBondContact O-N 3.2Å; Q26-M28 VanDerWaalsContact C-N 3.28Å; Q26-M28 PolarHBondContact O-N 2.57Å; Q26-E29 PolarHBondContact O-N 3.42Å; Q26-S179 PolarHBondContact NE2-OG 2.6Å
27	A	92.1	Very high	90.8	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-63.2	-36.2	177	0	0	0	0	0	111.9	Q23 I24 E29 E30 V31 T178 Y181 V183	Q23-A27 PolarHBondContact O-N 3.45Å; Q23-A27 VanDerWaalsContact O-N 3.11Å; I24-A27 PolarHBondContact O-N 2.87Å; A27-E29 PolarHBondContact O-N 3.25Å; A27-E30 PolarHBondContact O-N 3.46Å; A27-V31 WeakPolarHBondContact O-CB 3.35Å; A27-V31 VanDerWaalsContact O-CG2 3.28Å; A27-V31 WeakPolarHBondContact O-CG2 3.41Å; A27-V31 PolarHBondContact O-N 3.05Å; A27-T178 HydrophobicContact CB-CG2 4.37Å; A27-Y181 HydrophobicContact CB-CE1 4.29Å; A27-Y181 WeakPolarHBondContact CB-OH 3.49Å; A27-V183 HydrophobicContact CB-CG2 4.3Å
28	M	92.7	Very high	91.4	Very high	30 Å²	30	60.7 Å²	60.7	15%	0.148	29%	0.287	C	S	.	.	H	α-helix	trans	-61.4	-42	-179.1	-176.9	65.7	84.4	0	0	112.3	I24 S25 Q26 E30 V31 Q32 I62 V64 F70	I24-M28 WeakPolarHBondContact O-CB 3.28Å; I24-M28 PolarHBondContact O-N 3.25Å; S25-M28 WeakPolarHBondContact O-CB 3.3Å; S25-M28 PolarHBondContact O-N 3.14Å; Q26-M28 VanDerWaalsContact C-N 3.28Å; Q26-M28 PolarHBondContact O-N 2.57Å; M28-E30 VanDerWaalsContact C-N 3.31Å; M28-E30 PolarHBondContact O-N 3.45Å; M28-V31 PolarHBondContact O-N 3.45Å; M28-Q32 HydrophobicContact CG-CG 4.3Å; M28-Q32 WeakPolarHBondContact O-CB 3.17Å; M28-Q32 WeakPolarHBondContact O-CG 2.94Å; M28-Q32 PolarHBondContact O-N 3.03Å; M28-Q32 HydrophobicContact SD-CG 4.25Å; M28-I62 HydrophobicContact CE-CG2 3.82Å; M28-I62 HydrophobicContact SD-CB 4.35Å; M28-I62 HydrophobicContact SD-CD1 4.26Å; M28-I62 HydrophobicContact SD-CG2 3.72Å; M28-V64 HydrophobicContact CE-CG2 3.67Å; M28-F70 HydrophobicContact CE-CD1 3.68Å; M28-F70 HydrophobicContact CE-CE1 3.53Å; M28-F70 HydrophobicContact SD-CD1 4.26Å; M28-F70 HydrophobicContact SD-CE1 4.17Å
29	E	92	Very high	92	Very high	107 Å²	107	57.2 Å²	57.2	50%	0.5	27%	0.269	S	S	.	.	H	α-helix	trans	-60.2	-42.3	179	-71	178.3	-165.4	0	0	112	S25 Q26 A27 K33	S25-E29 PolarHBondContact O-N 3.34Å; Q26-E29 PolarHBondContact O-N 3.42Å; A27-E29 PolarHBondContact O-N 3.25Å; E29-K33 WeakPolarHBondContact O-CG 3.45Å; E29-K33 PolarHBondContact O-N 2.92Å
30	E	93.4	Very high	92.6	Very high	35 Å²	35	54.3 Å²	54.3	16%	0.164	26%	0.255	C	S	.	.	H	α-helix	trans	-69.3	-43.4	176.2	-70	-166.2	-121.6	0	0	112.3	A27 M28 Q32 K33 V34 K162 T178 S179	A27-E30 PolarHBondContact O-N 3.46Å; M28-E30 VanDerWaalsContact C-N 3.31Å; M28-E30 PolarHBondContact O-N 3.45Å; E30-Q32 VanDerWaalsContact C-N 3.32Å; E30-Q32 PolarHBondContact O-N 3.16Å; E30-K33 PolarHBondContact O-N 3.49Å; E30-V34 WeakPolarHBondContact O-CG2 3.5Å; E30-V34 PolarHBondContact O-N 3.37Å; E30-K162 IonicContact OE2-NZ 2.89Å; E30-K162 PolarHBondContact OE2-NZ 2.89Å; E30-T178 HydrophobicContact CB-CG2 4.35Å; E30-S179 WeakPolarHBondContact OE1-CB 3.41Å; E30-S179 PolarHBondContact OE1-N 3.07Å; E30-S179 PolarHBondContact OE1-OG 2.76Å
31	V	94.7	Very high	93.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.7	-45.3	176.8	164	0	0	0	0	110.4	A27 M28 K33 V34 V35 T178 V183 L185	A27-V31 WeakPolarHBondContact O-CB 3.35Å; A27-V31 VanDerWaalsContact O-CG2 3.28Å; A27-V31 WeakPolarHBondContact O-CG2 3.41Å; A27-V31 PolarHBondContact O-N 3.05Å; M28-V31 PolarHBondContact O-N 3.45Å; V31-K33 VanDerWaalsContact C-N 3.33Å; V31-K33 PolarHBondContact O-N 2.69Å; V31-V34 PolarHBondContact O-N 2.94Å; V31-V35 HydrophobicContact CG1-CG2 4.05Å; V31-V35 WeakPolarHBondContact O-CB 3.37Å; V31-V35 VanDerWaalsContact O-CG2 3.25Å; V31-V35 WeakPolarHBondContact O-CG2 3.28Å; V31-V35 PolarHBondContact O-N 3.41Å; V31-T178 HydrophobicContact CG2-CG2 4.33Å; V31-V183 HydrophobicContact CG2-CB 4.49Å; V31-V183 HydrophobicContact CG2-CG1 4.2Å; V31-L185 HydrophobicContact CG1-CD1 3.84Å; V31-L185 HydrophobicContact CG1-CD2 3.67Å; V31-L185 HydrophobicContact CG1-CG 4.45Å; V31-L185 HydrophobicContact CG2-CD2 4.13Å
32	Q	95.3	Very high	93.7	Very high	16 Å²	16	47 Å²	47	8%	0.075	23%	0.23	C	C	.	.	H	α-helix	trans	-59.3	-42.7	178.1	-78.1	-162.5	50.6	0	0	112.3	M28 E30 V35 H36 Y54 S55 N59 I62	M28-Q32 HydrophobicContact CG-CG 4.3Å; M28-Q32 WeakPolarHBondContact O-CB 3.17Å; M28-Q32 WeakPolarHBondContact O-CG 2.94Å; M28-Q32 PolarHBondContact O-N 3.03Å; M28-Q32 HydrophobicContact SD-CG 4.25Å; E30-Q32 VanDerWaalsContact C-N 3.32Å; E30-Q32 PolarHBondContact O-N 3.16Å; Q32-V35 PolarHBondContact O-N 3.18Å; Q32-H36 VanDerWaalsContact O-CB 3.22Å; Q32-H36 WeakPolarHBondContact O-CB 3.28Å; Q32-H36 PolarHBondContact O-N 3.31Å; Q32-Y54 HydrophobicContact CB-CD2 3.71Å; Q32-Y54 HydrophobicContact CB-CE2 3.8Å; Q32-S55 PolarHBondContact NE2-O 2.99Å; Q32-S55 PolarHBondContact OE1-O 3.26Å; Q32-N59 PolarHBondContact OE1-ND2 3.39Å; Q32-I62 HydrophobicContact CG-CD1 3.69Å
33	K	93.9	Very high	94.2	Very high	118 Å²	118	41.9 Å²	41.9	51%	0.513	21%	0.209	S	C	.	.	H	α-helix	trans	-62.9	-45.2	177.2	-69.1	170.2	-173.4	171.8	0	111.6	E29 E30 V31 H37 Y54	E29-K33 WeakPolarHBondContact O-CG 3.45Å; E29-K33 PolarHBondContact O-N 2.92Å; E30-K33 PolarHBondContact O-N 3.49Å; V31-K33 VanDerWaalsContact C-N 3.33Å; V31-K33 PolarHBondContact O-N 2.69Å; K33-H37 WeakPolarHBondContact O-CB 3.26Å; K33-H37 PolarHBondContact O-N 2.94Å; K33-Y54 HydrophobicContact CG-CD2 4.27Å; K33-Y54 HydrophobicContact CG-CE2 3.9Å
34	V	95.4	Very high	94.7	Very high	8 Å²	8	43 Å²	43	5%	0.048	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-47.6	178	170.6	0	0	0	0	111	E30 V31 H37 L38 L159 K162 V163 V176	E30-V34 WeakPolarHBondContact O-CG2 3.5Å; E30-V34 PolarHBondContact O-N 3.37Å; V31-V34 PolarHBondContact O-N 2.94Å; V34-H37 PolarHBondContact O-N 3.49Å; V34-L38 HydrophobicContact CG1-CD1 3.8Å; V34-L38 HydrophobicContact CG1-CG 4.37Å; V34-L38 WeakPolarHBondContact O-CB 3.39Å; V34-L38 WeakPolarHBondContact O-CG 3.44Å; V34-L38 PolarHBondContact O-N 3.3Å; V34-L159 HydrophobicContact CG1-CD1 4.43Å; V34-K162 HydrophobicContact CG2-CD 4.24Å; V34-V163 HydrophobicContact CG1-CG2 3.6Å; V34-V176 HydrophobicContact CB-CG1 4.46Å; V34-V176 HydrophobicContact CG1-CG1 4.3Å; V34-V176 HydrophobicContact CG1-CG2 4.18Å; V34-V176 HydrophobicContact CG2-CG1 4.09Å
35	V	96.4	Very high	94.9	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-47.5	178.7	165.6	0	0	0	0	111	V31 Q32 H37 L38 T39 V52 V72 L185	V31-V35 HydrophobicContact CG1-CG2 4.05Å; V31-V35 WeakPolarHBondContact O-CB 3.37Å; V31-V35 VanDerWaalsContact O-CG2 3.25Å; V31-V35 WeakPolarHBondContact O-CG2 3.28Å; V31-V35 PolarHBondContact O-N 3.41Å; Q32-V35 PolarHBondContact O-N 3.18Å; V35-H37 VanDerWaalsContact C-N 3.35Å; V35-H37 PolarHBondContact O-N 3.42Å; V35-L38 PolarHBondContact O-N 2.87Å; V35-T39 HydrophobicContact CG1-CG2 4.3Å; V35-T39 WeakPolarHBondContact O-CB 3.29Å; V35-T39 VanDerWaalsContact O-CG2 3.28Å; V35-T39 WeakPolarHBondContact O-CG2 3.13Å; V35-T39 PolarHBondContact O-N 2.87Å; V35-T39 PolarHBondContact O-OG1 3.32Å; V35-V52 HydrophobicContact CG1-CB 3.82Å; V35-V52 HydrophobicContact CG1-CG1 3.84Å; V35-V52 HydrophobicContact CG1-CG2 4.29Å; V35-V72 HydrophobicContact CG1-CG1 3.65Å; V35-V72 HydrophobicContact CG2-CG1 4.33Å; V35-V72 HydrophobicContact CG2-CG2 3.97Å; V35-L185 HydrophobicContact CG2-CD1 3.93Å
36	H	96.4	Very high	95.2	Very high	73 Å²	73	43.5 Å²	43.5	34%	0.338	21%	0.214	S	C	.	.	H	α-helix	trans	-60.1	-45.6	178.7	-179.2	64.7	0	0	0	111.5	Q32 T39 T40 V52	Q32-H36 VanDerWaalsContact O-CB 3.22Å; Q32-H36 WeakPolarHBondContact O-CB 3.28Å; Q32-H36 PolarHBondContact O-N 3.31Å; H36-T39 PolarHBondContact O-OG1 3.27Å; H36-T40 VanDerWaalsContact O-CB 3.29Å; H36-T40 WeakPolarHBondContact O-CB 3.21Å; H36-T40 PolarHBondContact O-N 2.88Å; H36-T40 PolarHBondContact O-OG1 3.23Å; H36-V52 PolarHBondContact ND1-O 3.4Å
37	H	95.9	Very high	95.5	Very high	93 Å²	93	42.9 Å²	42.9	43%	0.431	21%	0.213	S	C	.	.	H	α-helix	trans	-65.6	-46	179.7	-169.4	64.8	0	0	0	112.6	K33 V34 V35 T40 N41 C157	K33-H37 WeakPolarHBondContact O-CB 3.26Å; K33-H37 PolarHBondContact O-N 2.94Å; V34-H37 PolarHBondContact O-N 3.49Å; V35-H37 VanDerWaalsContact C-N 3.35Å; V35-H37 PolarHBondContact O-N 3.42Å; H37-T40 PolarHBondContact O-N 2.88Å; H37-N41 PolarHBondContact O-N 3.04Å; H37-N41 VanDerWaalsContact O-N 3.16Å; H37-C157 VanDerWaalsContact CD2-CB 3.46Å; H37-C157 WeakPolarHBondContact CD2-CB 3.41Å; H37-C157 PolarHBondContact CD2-SG 3.15Å; H37-C157 VanDerWaalsContact NE2-CB 3.32Å; H37-C157 WeakPolarHBondContact NE2-CB 3.43Å; H37-C157 PolarHBondContact NE2-SG 3.26Å
38	L	96.7	Very high	95.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-50.5	176.2	-75.6	173.4	0	0	0	111.4	V34 V35 T40 N41 I42 A153 I154 L159 V163 I174	V34-L38 HydrophobicContact CG1-CD1 3.8Å; V34-L38 HydrophobicContact CG1-CG 4.37Å; V34-L38 WeakPolarHBondContact O-CB 3.39Å; V34-L38 WeakPolarHBondContact O-CG 3.44Å; V34-L38 PolarHBondContact O-N 3.3Å; V35-L38 PolarHBondContact O-N 2.87Å; L38-T40 VanDerWaalsContact C-N 3.32Å; L38-T40 PolarHBondContact O-N 3.3Å; L38-N41 PolarHBondContact O-N 2.83Å; L38-I42 VanDerWaalsContact O-CG1 3.26Å; L38-I42 WeakPolarHBondContact O-CG1 3.44Å; L38-I42 PolarHBondContact O-N 2.9Å; L38-A153 HydrophobicContact CD2-CB 4Å; L38-I154 HydrophobicContact CD2-CG1 3.86Å; L38-L159 HydrophobicContact CD1-CD1 4.49Å; L38-L159 HydrophobicContact CD2-CD1 3.66Å; L38-L159 HydrophobicContact CG-CD1 3.81Å; L38-V163 HydrophobicContact CD1-CG1 4.39Å; L38-I174 HydrophobicContact CD1-CD1 3.84Å
39	T	97.1	Very high	95.9	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.012	21%	0.207	C	C	.	.	H	α-helix	trans	-68.8	-30	-176.6	56.7	0	0	0	0	112.6	V35 H36 I42 S43 V52 V74	V35-T39 HydrophobicContact CG1-CG2 4.3Å; V35-T39 WeakPolarHBondContact O-CB 3.29Å; V35-T39 VanDerWaalsContact O-CG2 3.28Å; V35-T39 WeakPolarHBondContact O-CG2 3.13Å; V35-T39 PolarHBondContact O-N 2.87Å; V35-T39 PolarHBondContact O-OG1 3.32Å; H36-T39 PolarHBondContact O-OG1 3.27Å; T39-I42 PolarHBondContact O-N 3.07Å; T39-S43 WeakPolarHBondContact O-CB 3.47Å; T39-S43 PolarHBondContact O-N 2.99Å; T39-S43 PolarHBondContact O-OG 3.02Å; T39-V52 HydrophobicContact CG2-CB 4.29Å; T39-V52 HydrophobicContact CG2-CG2 3.99Å; T39-V52 PolarHBondContact OG1-N 2.88Å; T39-V74 HydrophobicContact CG2-CG1 4.35Å; T39-V74 HydrophobicContact CG2-CG2 4.01Å
40	T	97.3	Very high	96.1	Very high	43 Å²	43	40.3 Å²	40.3	26%	0.264	20%	0.2	S	C	.	.	H	α-helix	trans	-64.3	-42.6	170.6	-59.6	0	0	0	0	111.9	H36 H37 L38 S43 N44 T51	H36-T40 VanDerWaalsContact O-CB 3.29Å; H36-T40 WeakPolarHBondContact O-CB 3.21Å; H36-T40 PolarHBondContact O-N 2.88Å; H36-T40 PolarHBondContact O-OG1 3.23Å; H37-T40 PolarHBondContact O-N 2.88Å; L38-T40 VanDerWaalsContact C-N 3.32Å; L38-T40 PolarHBondContact O-N 3.3Å; T40-S43 PolarHBondContact O-N 2.82Å; T40-S43 PolarHBondContact O-OG 2.78Å; T40-N44 PolarHBondContact O-N 2.9Å; T40-N44 PolarHBondContact O-ND2 3.33Å; T40-T51 WeakPolarHBondContact OG1-CG2 3.34Å
41	N	97.4	Very high	96.3	Very high	31 Å²	31	40.7 Å²	40.7	17%	0.166	21%	0.205	C	C	.	.	H	α-helix	trans	-67.7	-40.1	176.8	-170.1	-88.9	0	0	0	111.4	H37 L38 N44 Q45 A153 C157	H37-N41 PolarHBondContact O-N 3.04Å; H37-N41 VanDerWaalsContact O-N 3.16Å; L38-N41 PolarHBondContact O-N 2.83Å; N41-N44 PolarHBondContact O-N 3.18Å; N41-Q45 WeakPolarHBondContact O-CG 3.36Å; N41-Q45 PolarHBondContact O-N 3.11Å; N41-Q45 VanDerWaalsContact O-N 3.15Å; N41-Q45 PolarHBondContact OD1-NE2 3.48Å; N41-A153 HydrophobicContact CB-CB 4.19Å; N41-C157 VanDerWaalsContact CB-SG 3.56Å
42	I	97.5	Very high	96.3	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-60.6	-46.2	175.2	-67.9	166.1	0	0	0	110.8	L38 T39 N44 Q45 D46 F49 F146 L149 V150 A153	L38-I42 VanDerWaalsContact O-CG1 3.26Å; L38-I42 WeakPolarHBondContact O-CG1 3.44Å; L38-I42 PolarHBondContact O-N 2.9Å; T39-I42 PolarHBondContact O-N 3.07Å; I42-N44 PolarHBondContact O-N 3.48Å; I42-Q45 PolarHBondContact O-N 2.94Å; I42-D46 PolarHBondContact O-N 3.4Å; I42-F49 HydrophobicContact CG2-CB 3.78Å; I42-F49 HydrophobicContact CG2-CD2 4.35Å; I42-F49 HydrophobicContact CG2-CG 4.24Å; I42-F146 HydrophobicContact CD1-CE2 4.18Å; I42-F146 HydrophobicContact CG2-CE2 4.27Å; I42-L149 HydrophobicContact CG1-CB 4.3Å; I42-L149 HydrophobicContact CG2-CB 4.1Å; I42-L149 HydrophobicContact CG2-CD1 4.19Å; I42-V150 HydrophobicContact CD1-CB 4.46Å; I42-V150 HydrophobicContact CD1-CG2 3.66Å; I42-A153 HydrophobicContact CD1-CB 4.36Å; I42-A153 HydrophobicContact CG1-CB 3.76Å
43	S	97.1	Very high	96.2	Very high	23 Å²	23	43.3 Å²	43.3	16%	0.161	22%	0.223	C	C	.	.	H	α-helix	trans	-64.1	-28.4	-179.6	68.2	0	0	0	0	113.3	T39 T40 F49 T51	T39-S43 WeakPolarHBondContact O-CB 3.47Å; T39-S43 PolarHBondContact O-N 2.99Å; T39-S43 PolarHBondContact O-OG 3.02Å; T40-S43 PolarHBondContact O-N 2.82Å; T40-S43 PolarHBondContact O-OG 2.78Å; S43-F49 VanDerWaalsContact CA-O 3.29Å; S43-F49 WeakPolarHBondContact CA-O 3.44Å; S43-F49 WeakPolarHBondContact CB-O 3.14Å; S43-T51 PolarHBondContact OG-OG1 2.82Å
44	N	96.4	Very high	96	Very high	128 Å²	128	41.7 Å²	41.7	68%	0.684	21%	0.214	S	C	*	.	H	α-helix	trans	-76	-29.8	174.9	-67.4	-17.6	0	0	0	112.2	T40 N41 I42	T40-N44 PolarHBondContact O-N 2.9Å; T40-N44 PolarHBondContact O-ND2 3.33Å; N41-N44 PolarHBondContact O-N 3.18Å; I42-N44 PolarHBondContact O-N 3.48Å
45	Q	95.8	Very high	95.7	Very high	81 Å²	81	42.6 Å²	42.6	38%	0.379	22%	0.221	S	C	.	.	H	α-helix	trans	-80.4	-39.6	176.2	-71.4	-176.3	56.1	0	0	112.3	N41 I42 L149	N41-Q45 WeakPolarHBondContact O-CG 3.36Å; N41-Q45 PolarHBondContact O-N 3.11Å; N41-Q45 VanDerWaalsContact O-N 3.15Å; N41-Q45 PolarHBondContact OD1-NE2 3.48Å; I42-Q45 PolarHBondContact O-N 2.94Å; Q45-L149 HydrophobicContact CB-CD2 3.86Å
46	D	96.4	Very high	94.8	Very high	23 Å²	23	49.3 Å²	49.3	12%	0.123	26%	0.257	C	S	.	.			trans	-142.9	115.3	-178.7	-170.9	-28.3	0	0	0	110.7	I42 R48 F49 L149	I42-D46 PolarHBondContact O-N 3.4Å; D46-R48 PolarHBondContact O-N 3.33Å; D46-R48 VanDerWaalsContact O-N 3.08Å; D46-R48 WeakPolarHBondContact OD1-CB 3.48Å; D46-R48 VanDerWaalsContact OD1-CG 3.28Å; D46-R48 WeakPolarHBondContact OD1-CG 3.31Å; D46-R48 PolarHBondContact OD1-N 3.45Å; D46-R48 IonicContact OD1-NE 3.18Å; D46-R48 PolarHBondContact OD1-NE 2.75Å; D46-R48 IonicContact OD2-CZ 2.99Å; D46-R48 VanDerWaalsContact OD2-CZ 3.31Å; D46-R48 IonicContact OD2-NE 2.82Å; D46-R48 PolarHBondContact OD2-NE 3.02Å; D46-R48 IonicContact OD2-NH2 3.39Å; D46-R48 PolarHBondContact OD2-NH2 3.18Å; D46-F49 HydrophobicContact CB-CD2 4.09Å; D46-F49 HydrophobicContact CB-CE2 4.45Å; D46-F49 PolarHBondContact O-N 2.94Å; D46-L149 HydrophobicContact CB-CD1 3.59Å; D46-L149 HydrophobicContact CB-CD2 4.05Å; D46-L149 HydrophobicContact CB-CG 4.5Å
47	I	95.6	Very high	94.1	Very high	85 Å²	85	52.2 Å²	52.2	44%	0.436	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-14.2	-175.7	68.7	166	0	0	0	113.9	F49 K77 L123 Q125	I47-F49 PolarHBondContact O-N 3.39Å; I47-K77 WeakPolarHBondContact O-CB 3.48Å; I47-L123 HydrophobicContact CD1-CD1 3.94Å; I47-L123 HydrophobicContact CG1-CD1 4.4Å; I47-Q125 VanDerWaalsContact CD1-NE2 3.28Å
48	R	96.3	Very high	93.3	Very high	8 Å²	8	52.8 Å²	52.8	3%	0.03	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-26.4	178.7	-71.8	-176.6	-71.5	-166.4	4	112.3	D46 I76 K77 Q125 W126 D130 V145	D46-R48 PolarHBondContact O-N 3.33Å; D46-R48 VanDerWaalsContact O-N 3.08Å; D46-R48 WeakPolarHBondContact OD1-CB 3.48Å; D46-R48 VanDerWaalsContact OD1-CG 3.28Å; D46-R48 WeakPolarHBondContact OD1-CG 3.31Å; D46-R48 PolarHBondContact OD1-N 3.45Å; D46-R48 IonicContact OD1-NE 3.18Å; D46-R48 PolarHBondContact OD1-NE 2.75Å; D46-R48 IonicContact OD2-CZ 2.99Å; D46-R48 VanDerWaalsContact OD2-CZ 3.31Å; D46-R48 IonicContact OD2-NE 2.82Å; D46-R48 PolarHBondContact OD2-NE 3.02Å; D46-R48 IonicContact OD2-NH2 3.39Å; D46-R48 PolarHBondContact OD2-NH2 3.18Å; R48-I76 CarbonylContact O-C 3.53Å; R48-I76 WeakPolarHBondContact O-CA 3.47Å; R48-K77 PolarHBondContact O-N 3.35Å; R48-Q125 HydrophobicContact CG-CB 3.97Å; R48-Q125 PolarHBondContact NH1-O 2.93Å; R48-Q125 VanDerWaalsContact NH1-O 3.11Å; R48-W126 HydrophobicContact CB-CH2 4.16Å; R48-W126 HydrophobicContact CB-CZ2 3.58Å; R48-W126 HydrophobicContact CG-CH2 4.4Å; R48-W126 HydrophobicContact CG-CZ2 3.68Å; R48-D130 IonicContact CZ-OD2 3.9Å; R48-D130 IonicContact NH1-OD1 3.76Å; R48-D130 PolarHBondContact NH1-OD1 3.46Å; R48-D130 IonicContact NH1-OD2 3.54Å; R48-D130 PolarHBondContact NH1-OD2 3.41Å; R48-D130 IonicContact NH2-OD2 3.12Å; R48-D130 PolarHBondContact NH2-OD2 3.5Å; R48-V145 VanDerWaalsContact NH2-CG1 3.35Å
49	F	97.3	Very high	92.7	Very high	1 Å²	1	53.2 Å²	53.2	0%	0.004	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-110.7	127.6	-176.4	-55.2	-83.3	0	0	0	109.9	I42 S43 D46 I47 V74 I76 V142 V145 F146 L149 P189	I42-F49 HydrophobicContact CG2-CB 3.78Å; I42-F49 HydrophobicContact CG2-CD2 4.35Å; I42-F49 HydrophobicContact CG2-CG 4.24Å; S43-F49 VanDerWaalsContact CA-O 3.29Å; S43-F49 WeakPolarHBondContact CA-O 3.44Å; S43-F49 WeakPolarHBondContact CB-O 3.14Å; D46-F49 HydrophobicContact CB-CD2 4.09Å; D46-F49 HydrophobicContact CB-CE2 4.45Å; D46-F49 PolarHBondContact O-N 2.94Å; I47-F49 PolarHBondContact O-N 3.39Å; F49-V74 HydrophobicContact CB-CG1 4.4Å; F49-I76 HydrophobicContact CD1-CG1 4.42Å; F49-V142 HydrophobicContact CE1-CG1 4.22Å; F49-V142 HydrophobicContact CZ-CG1 4.31Å; F49-V145 HydrophobicContact CE2-CG1 4.12Å; F49-V145 HydrophobicContact CZ-CG1 4.38Å; F49-F146 AromaticContact CD1-CD2 3.44Å; F49-F146 HydrophobicContact CD1-CD2 3.44Å; F49-F146 VanDerWaalsContact CD1-CD2 3.44Å; F49-F146 AromaticContact CD1-CE2 3.9Å; F49-F146 HydrophobicContact CD1-CE2 3.9Å; F49-F146 HydrophobicContact CD1-CG 4.32Å; F49-F146 HydrophobicContact CD2-CD2 4.36Å; F49-F146 HydrophobicContact CE1-CB 3.86Å; F49-F146 AromaticContact CE1-CD2 3.49Å; F49-F146 HydrophobicContact CE1-CD2 3.49Å; F49-F146 VanDerWaalsContact CE1-CD2 3.49Å; F49-F146 HydrophobicContact CE1-CE2 4.36Å; F49-F146 AromaticContact CE1-CG 3.94Å; F49-F146 HydrophobicContact CE1-CG 3.94Å; F49-F146 HydrophobicContact CE2-CD2 4.41Å; F49-F146 AromaticContact CG-CD2 3.91Å; F49-F146 HydrophobicContact CG-CD2 3.91Å; F49-F146 HydrophobicContact CG-CE2 4.27Å; F49-F146 HydrophobicContact CZ-CB 3.87Å; F49-F146 AromaticContact CZ-CD2 3.99Å; F49-F146 HydrophobicContact CZ-CD2 3.99Å; F49-F146 HydrophobicContact CZ-CG 4.36Å; F49-L149 HydrophobicContact CD2-CD1 3.5Å; F49-L149 HydrophobicContact CE2-CD1 3.38Å; F49-L149 HydrophobicContact CZ-CD1 4.37Å; F49-P189 HydrophobicContact CD1-CB 4.27Å; F49-P189 HydrophobicContact CD1-CG 4.38Å; F49-P189 HydrophobicContact CE1-CB 3.98Å; F49-P189 HydrophobicContact CE1-CG 3.95Å
50	Q	96.5	Very high	92.2	Very high	74 Å²	74	58.1 Å²	58.1	35%	0.346	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-91.9	151.4	-176.8	-57	-173.9	30.4	0	0	111.8	V52 V74 P75 I76 K77	Q50-V52 PolarHBondContact O-N 3.47Å; Q50-V74 WeakPolarHBondContact O-CG1 3.49Å; Q50-P75 HydrophobicContact CB-CB 4.16Å; Q50-P75 WeakPolarHBondContact CB-O 3.46Å; Q50-P75 HydrophobicContact CG-CB 4.43Å; Q50-P75 WeakPolarHBondContact CG-O 3.2Å; Q50-P75 PolarHBondContact N-O 3.49Å; Q50-I76 PolarHBondContact NE2-O 3.12Å; Q50-K77 HydrophobicContact CG-CB 3.81Å
51	T	96.4	Very high	92	Very high	43 Å²	43	56.4 Å²	56.4	26%	0.264	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-61.5	132	169.6	-53.2	0	0	0	0	110.5	T40 S43 P53	T40-T51 WeakPolarHBondContact OG1-CG2 3.34Å; S43-T51 PolarHBondContact OG-OG1 2.82Å; T51-P53 WeakPolarHBondContact O-CD 3.28Å
52	V	96	Very high	91.8	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.006	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-79.3	118.9	167.7	173.1	0	0	0	0	107.7	V35 H36 T39 Q50 N61 V72 V74	V35-V52 HydrophobicContact CG1-CB 3.82Å; V35-V52 HydrophobicContact CG1-CG1 3.84Å; V35-V52 HydrophobicContact CG1-CG2 4.29Å; H36-V52 PolarHBondContact ND1-O 3.4Å; T39-V52 HydrophobicContact CG2-CB 4.29Å; T39-V52 HydrophobicContact CG2-CG2 3.99Å; T39-V52 PolarHBondContact OG1-N 2.88Å; Q50-V52 PolarHBondContact O-N 3.47Å; V52-N61 HydrophobicContact CG1-CB 3.65Å; V52-N61 HydrophobicContact CG2-CB 4.3Å; V52-V72 HydrophobicContact CG2-CG1 4.27Å; V52-V74 HydrophobicContact CG2-CB 4.49Å; V52-V74 HydrophobicContact CG2-CG2 4.12Å
53	P	92.1	Very high	91.6	Very high	70 Å²	70	57 Å²	57	46%	0.455	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-67.5	146.9	-178.1	28.3	-33.9	0	0	0	110.6	T51 N59	T51-P53 WeakPolarHBondContact O-CD 3.28Å; P53-N59 PolarHBondContact O-ND2 2.87Å
54	Y	90.8	Very high	91.4	Very high	84 Å²	84	57.6 Å²	57.6	33%	0.329	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-75	139.6	165.6	-179.5	-89.5	0	0	0	109.3	Q32 K33 D56	Q32-Y54 HydrophobicContact CB-CD2 3.71Å; Q32-Y54 HydrophobicContact CB-CE2 3.8Å; K33-Y54 HydrophobicContact CG-CD2 4.27Å; K33-Y54 HydrophobicContact CG-CE2 3.9Å; Y54-D56 VanDerWaalsContact CE1-OD1 3.25Å; Y54-D56 WeakPolarHBondContact CE1-OD1 3.25Å
55	S	88.1	Confident	91.1	Very high	28 Å²	28	53.9 Å²	53.9	20%	0.196	28%	0.277	C	S	.	.			trans	-137	123.7	179.2	179.2	0	0	0	0	110.9	Q32 T57 Y58	Q32-S55 PolarHBondContact NE2-O 2.99Å; Q32-S55 PolarHBondContact OE1-O 3.26Å; S55-T57 PolarHBondContact O-N 3.27Å; S55-T57 PolarHBondContact OG-N 3.41Å; S55-T57 PolarHBondContact OG-OG1 3.3Å; S55-Y58 WeakPolarHBondContact CB-O 3.45Å; S55-Y58 PolarHBondContact OG-N 3.3Å; S55-Y58 PolarHBondContact OG-O 2.84Å
56	D	78.5	Confident	90.8	Very high	142 Å²	142	50.7 Å²	50.7	76%	0.759	27%	0.265	S	S	*	.	S	Bend	trans	-69.3	-18.2	177.4	-68.2	-54.7	0	0	0	113.4	Y54	Y54-D56 VanDerWaalsContact CE1-OD1 3.25Å; Y54-D56 WeakPolarHBondContact CE1-OD1 3.25Å
57	T	80.3	Confident	90.4	Very high	134 Å²	134	50.9 Å²	50.9	82%	0.822	27%	0.267	S	S	*	.	S	Bend	trans	-106.6	-75.4	-175	52.6	0	0	0	0	111.1	S55	S55-T57 PolarHBondContact O-N 3.27Å; S55-T57 PolarHBondContact OG-N 3.41Å; S55-T57 PolarHBondContact OG-OG1 3.3Å
58	Y	79.2	Confident	90.1	Very high	105 Å²	105	48.1 Å²	48.1	41%	0.412	26%	0.255	S	S	.	.			trans	-141.4	133.3	179.5	177.8	-94.5	0	0	0	109.5	S55 E60 Q243	S55-Y58 WeakPolarHBondContact CB-O 3.45Å; S55-Y58 PolarHBondContact OG-N 3.3Å; S55-Y58 PolarHBondContact OG-O 2.84Å; Y58-E60 HydrophobicContact CD1-CB 4.47Å; Y58-E60 VanDerWaalsContact CE1-CA 3.43Å; Y58-E60 HydrophobicContact CE1-CB 3.95Å; Y58-Q243 HydrophobicContact CE1-CG 4.49Å; Y58-Q243 VanDerWaalsContact CE1-OE1 3.24Å; Y58-Q243 PolarHBondContact OH-NE2 2.83Å; Y58-Q243 PolarHBondContact OH-OE1 3.47Å
59	N	85.3	Confident	89.9	Confident	10 Å²	10	48.4 Å²	48.4	5%	0.053	26%	0.257	C	S	.	.			trans	-104	109.1	177.5	-165.1	-38	0	0	0	109.3	Q32 P53 N61 I62	Q32-N59 PolarHBondContact OE1-ND2 3.39Å; P53-N59 PolarHBondContact O-ND2 2.87Å; N59-N61 PolarHBondContact O-N 2.83Å; N59-N61 WeakPolarHBondContact OD1-CB 3.28Å; N59-N61 PolarHBondContact OD1-N 2.72Å; N59-N61 VanDerWaalsContact OD1-N 3.09Å; N59-I62 HydrophobicContact CB-CB 4.44Å; N59-I62 HydrophobicContact CB-CD1 4.34Å; N59-I62 HydrophobicContact CB-CG1 4.26Å; N59-I62 PolarHBondContact O-N 2.97Å; N59-I62 VanDerWaalsContact O-N 3.13Å
60	E	87.1	Confident	89.8	Confident	105 Å²	105	48.3 Å²	48.3	49%	0.491	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-18.8	-177.8	65.8	-177.1	172.1	0	0	114.4	Y58 I62 R240	Y58-E60 HydrophobicContact CD1-CB 4.47Å; Y58-E60 VanDerWaalsContact CE1-CA 3.43Å; Y58-E60 HydrophobicContact CE1-CB 3.95Å; E60-I62 VanDerWaalsContact C-N 3.29Å; E60-R240 IonicContact OE2-CZ 3.3Å; E60-R240 IonicContact OE2-NE 2.91Å; E60-R240 IonicContact OE2-NH1 2.75Å; E60-R240 PolarHBondContact OE2-NH1 3.44Å
61	N	92.4	Very high	89.7	Confident	8 Å²	8	45.5 Å²	45.5	4%	0.043	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-9.4	176	-61.7	101.7	0	0	0	112.5	V52 N59 V72 T73 P75	V52-N61 HydrophobicContact CG1-CB 3.65Å; V52-N61 HydrophobicContact CG2-CB 4.3Å; N59-N61 PolarHBondContact O-N 2.83Å; N59-N61 WeakPolarHBondContact OD1-CB 3.28Å; N59-N61 PolarHBondContact OD1-N 2.72Å; N59-N61 VanDerWaalsContact OD1-N 3.09Å; N61-V72 CarbonylContact O-C 3.54Å; N61-V72 VanDerWaalsContact O-CA 3.22Å; N61-V72 WeakPolarHBondContact O-CA 3.34Å; N61-T73 WeakPolarHBondContact CA-OG1 3.37Å; N61-T73 WeakPolarHBondContact CB-O 3.28Å; N61-T73 PolarHBondContact ND2-O 3.47Å; N61-T73 PolarHBondContact O-N 2.89Å; N61-T73 PolarHBondContact O-OG1 2.95Å; N61-P75 WeakPolarHBondContact ND2-CG 3.29Å
62	I	93.9	Very high	89.8	Confident	5 Å²	5	43.5 Å²	43.5	3%	0.026	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	118	-175.5	-50.8	-176.8	0	0	0	111.2	M28 Q32 N59 E60 F70 L71 V72	M28-I62 HydrophobicContact CE-CG2 3.82Å; M28-I62 HydrophobicContact SD-CB 4.35Å; M28-I62 HydrophobicContact SD-CD1 4.26Å; M28-I62 HydrophobicContact SD-CG2 3.72Å; Q32-I62 HydrophobicContact CG-CD1 3.69Å; N59-I62 HydrophobicContact CB-CB 4.44Å; N59-I62 HydrophobicContact CB-CD1 4.34Å; N59-I62 HydrophobicContact CB-CG1 4.26Å; N59-I62 PolarHBondContact O-N 2.97Å; N59-I62 VanDerWaalsContact O-N 3.13Å; E60-I62 VanDerWaalsContact C-N 3.29Å; I62-F70 HydrophobicContact CG2-CB 4.25Å; I62-F70 HydrophobicContact CG2-CD1 4.09Å; I62-L71 CarbonylContact C-O 3.55Å; I62-L71 WeakPolarHBondContact CA-O 3.43Å; I62-V72 HydrophobicContact CG1-CG1 4.41Å; I62-V72 HydrophobicContact CG1-CG2 4.25Å; I62-V72 HydrophobicContact CG2-CG2 4.41Å
63	K	93.1	Very high	89.8	Confident	40 Å²	40	43.6 Å²	43.6	17%	0.174	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.3	176.8	-177.5	170.5	-177.8	174.2	0	111.4	L65 F70 L71 L239 E242	K63-L65 HydrophobicContact CG-CD2 4.42Å; K63-L65 PolarHBondContact O-N 3.28Å; K63-F70 CarbonylContact O-C 3.43Å; K63-F70 WeakPolarHBondContact O-CA 3.33Å; K63-L71 HydrophobicContact CB-CB 4.36Å; K63-L71 PolarHBondContact N-O 3.38Å; K63-L71 PolarHBondContact O-N 3.16Å; K63-L239 HydrophobicContact CD-CD2 3.68Å; K63-E242 IonicContact NZ-OE2 3.38Å; K63-E242 PolarHBondContact NZ-OE2 3.46Å
64	V	91.8	Very high	90	Very high	34 Å²	34	40.3 Å²	40.3	21%	0.206	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	108	176.2	-173	0	0	0	0	110.5	I24 M28 A66 F70 R264	I24-V64 HydrophobicContact CD1-CG1 4.35Å; I24-V64 HydrophobicContact CG2-CG1 4.18Å; I24-V64 HydrophobicContact CG2-CG2 4.06Å; M28-V64 HydrophobicContact CE-CG2 3.67Å; V64-A66 WeakPolarHBondContact CG1-O 3.37Å; V64-F70 HydrophobicContact CB-CD1 4.42Å; V64-F70 HydrophobicContact CB-CE1 4.45Å; V64-F70 HydrophobicContact CG1-CE1 4.26Å; V64-F70 HydrophobicContact CG2-CD1 3.91Å; V64-F70 HydrophobicContact CG2-CE1 3.76Å; V64-R264 PolarHBondContact O-NH2 3.43Å
65	L	90.5	Very high	90.3	Very high	51 Å²	51	36.7 Å²	36.7	27%	0.267	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-45.1	177.9	-56.2	-178.2	0	0	0	111.4	K63 Q69 L71 R264 S281	K63-L65 HydrophobicContact CG-CD2 4.42Å; K63-L65 PolarHBondContact O-N 3.28Å; L65-Q69 WeakPolarHBondContact CA-O 3.43Å; L65-Q69 HydrophobicContact CB-CB 4.25Å; L65-Q69 WeakPolarHBondContact CB-O 3.39Å; L65-Q69 PolarHBondContact N-O 3.42Å; L65-L71 HydrophobicContact CD1-CB 4.04Å; L65-L71 HydrophobicContact CD2-CB 4.02Å; L65-L71 HydrophobicContact CG-CB 4.05Å; L65-R264 PolarHBondContact O-NH2 3.45Å; L65-S281 VanDerWaalsContact O-CB 3.31Å; L65-S281 WeakPolarHBondContact O-CB 3.16Å
66	A	88.8	Confident	90.7	Very high	14 Å²	14	36 Å²	36	12%	0.116	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	171.5	176.7	0	0	0	0	0	108.8	V64 S68 Q69	V64-A66 WeakPolarHBondContact CG1-O 3.37Å; A66-S68 PolarHBondContact O-N 2.92Å; A66-S68 VanDerWaalsContact O-N 3.17Å; A66-Q69 HydrophobicContact CB-CB 4.01Å; A66-Q69 HydrophobicContact CB-CG 4.34Å; A66-Q69 PolarHBondContact N-O 3.47Å; A66-Q69 PolarHBondContact O-N 3.07Å
67	P	88.1	Confident	91.5	Very high	27 Å²	27	34.7 Å²	34.7	18%	0.175	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-37.5	-177.3	-28.9	37.7	0	0	0	113.8	R20 I24 Y181 E268	R20-P67 HydrophobicContact CG-CG 4.26Å; I24-P67 HydrophobicContact CD1-CB 4.35Å; I24-P67 HydrophobicContact CG1-CB 4.41Å; P67-Y181 WeakPolarHBondContact O-CE2 3.35Å; P67-Y181 PolarHBondContact O-OH 3.08Å; P67-Y181 VanDerWaalsContact O-OH 3.05Å; P67-E268 WeakPolarHBondContact CG-OE2 3.45Å
68	S	90.5	Very high	92	Very high	27 Å²	27	29.3 Å²	29.3	19%	0.189	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	14.4	177.8	55.5	0	0	0	0	114	A66 E184	A66-S68 PolarHBondContact O-N 2.92Å; A66-S68 VanDerWaalsContact O-N 3.17Å; S68-E184 PolarHBondContact O-N 3.26Å
69	Q	92.4	Very high	92.7	Very high	13 Å²	13	25.2 Å²	25.2	6%	0.061	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	128.4	-177	-60	-174.6	-47.1	0	0	112.8	L65 A66 E184 N275	L65-Q69 WeakPolarHBondContact CA-O 3.43Å; L65-Q69 HydrophobicContact CB-CB 4.25Å; L65-Q69 WeakPolarHBondContact CB-O 3.39Å; L65-Q69 PolarHBondContact N-O 3.42Å; A66-Q69 HydrophobicContact CB-CB 4.01Å; A66-Q69 HydrophobicContact CB-CG 4.34Å; A66-Q69 PolarHBondContact N-O 3.47Å; A66-Q69 PolarHBondContact O-N 3.07Å; Q69-E184 VanDerWaalsContact CA-O 3.3Å; Q69-E184 WeakPolarHBondContact CA-O 2.89Å; Q69-E184 HydrophobicContact CG-CB 4.3Å; Q69-E184 PolarHBondContact NE2-OE2 2.9Å; Q69-E184 VanDerWaalsContact NE2-OE2 3.16Å; Q69-N275 VanDerWaalsContact CD-O 3.29Å; Q69-N275 PolarHBondContact NE2-O 3.07Å; Q69-N275 PolarHBondContact OE1-O 3.13Å; Q69-N275 VanDerWaalsContact OE1-O 3.11Å
70	F	94.4	Very high	93.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	145.2	-176.9	-53.7	-112.7	0	0	0	110	I24 M28 I62 K63 V64 V183 E184 L185 E186	I24-F70 HydrophobicContact CG2-CE1 4.12Å; I24-F70 HydrophobicContact CG2-CZ 4.19Å; M28-F70 HydrophobicContact CE-CD1 3.68Å; M28-F70 HydrophobicContact CE-CE1 3.53Å; M28-F70 HydrophobicContact SD-CD1 4.26Å; M28-F70 HydrophobicContact SD-CE1 4.17Å; I62-F70 HydrophobicContact CG2-CB 4.25Å; I62-F70 HydrophobicContact CG2-CD1 4.09Å; K63-F70 CarbonylContact O-C 3.43Å; K63-F70 WeakPolarHBondContact O-CA 3.33Å; V64-F70 HydrophobicContact CB-CD1 4.42Å; V64-F70 HydrophobicContact CB-CE1 4.45Å; V64-F70 HydrophobicContact CG1-CE1 4.26Å; V64-F70 HydrophobicContact CG2-CD1 3.91Å; V64-F70 HydrophobicContact CG2-CE1 3.76Å; F70-V183 HydrophobicContact CD2-CG1 3.18Å; F70-V183 HydrophobicContact CE2-CB 4.35Å; F70-V183 HydrophobicContact CE2-CG1 3.26Å; F70-V183 HydrophobicContact CE2-CG2 4.11Å; F70-V183 HydrophobicContact CG-CG1 4.38Å; F70-V183 HydrophobicContact CZ-CG1 4.47Å; F70-E184 PolarHBondContact N-O 2.74Å; F70-L185 HydrophobicContact CB-CD2 3.64Å; F70-L185 HydrophobicContact CD2-CD2 3.89Å; F70-L185 HydrophobicContact CG-CD2 4Å; F70-L185 WeakPolarHBondContact O-CA 3.38Å; F70-E186 PolarHBondContact O-N 2.83Å
71	L	95	Very high	93.3	Very high	15 Å²	15	23.9 Å²	23.9	8%	0.079	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.5	168.2	173	65.5	0	0	0	108.1	I62 K63 L65 T73 E186 A188 L239	I62-L71 CarbonylContact C-O 3.55Å; I62-L71 WeakPolarHBondContact CA-O 3.43Å; K63-L71 HydrophobicContact CB-CB 4.36Å; K63-L71 PolarHBondContact N-O 3.38Å; K63-L71 PolarHBondContact O-N 3.16Å; L65-L71 HydrophobicContact CD1-CB 4.04Å; L65-L71 HydrophobicContact CD2-CB 4.02Å; L65-L71 HydrophobicContact CG-CB 4.05Å; L71-T73 HydrophobicContact CG-CG2 4.49Å; L71-E186 HydrophobicContact CD1-CB 3.97Å; L71-E186 HydrophobicContact CD1-CG 3.89Å; L71-A188 HydrophobicContact CD1-CB 3.84Å; L71-L239 HydrophobicContact CD2-CD1 3.99Å
72	V	96.8	Very high	93.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	113.6	175	-177.8	0	0	0	0	108.2	V35 V52 N61 I62 V74 E186 L187 A188	V35-V72 HydrophobicContact CG1-CG1 3.65Å; V35-V72 HydrophobicContact CG2-CG1 4.33Å; V35-V72 HydrophobicContact CG2-CG2 3.97Å; V52-V72 HydrophobicContact CG2-CG1 4.27Å; N61-V72 CarbonylContact O-C 3.54Å; N61-V72 VanDerWaalsContact O-CA 3.22Å; N61-V72 WeakPolarHBondContact O-CA 3.34Å; I62-V72 HydrophobicContact CG1-CG1 4.41Å; I62-V72 HydrophobicContact CG1-CG2 4.25Å; I62-V72 HydrophobicContact CG2-CG2 4.41Å; V72-V74 HydrophobicContact CG1-CG2 4.38Å; V72-E186 PolarHBondContact N-O 2.82Å; V72-L187 HydrophobicContact CB-CD2 3.67Å; V72-L187 HydrophobicContact CG1-CD2 4.05Å; V72-L187 HydrophobicContact CG2-CD2 3.94Å; V72-A188 PolarHBondContact O-N 2.98Å
73	T	96.8	Very high	93.1	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.025	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	116	173.5	52.5	0	0	0	0	110.6	N61 L71 P75 A188 A190 L227 L239	N61-T73 WeakPolarHBondContact CA-OG1 3.37Å; N61-T73 WeakPolarHBondContact CB-O 3.28Å; N61-T73 PolarHBondContact ND2-O 3.47Å; N61-T73 PolarHBondContact O-N 2.89Å; N61-T73 PolarHBondContact O-OG1 2.95Å; L71-T73 HydrophobicContact CG-CG2 4.49Å; T73-P75 WeakPolarHBondContact O-CD 3.35Å; T73-A188 CarbonylContact C-O 3.59Å; T73-A188 VanDerWaalsContact CA-O 3.29Å; T73-A188 WeakPolarHBondContact CA-O 3.22Å; T73-A190 HydrophobicContact CG2-CB 4.33Å; T73-L227 HydrophobicContact CG2-CD2 4.05Å; T73-L239 HydrophobicContact CG2-CD1 3.61Å
74	V	97.3	Very high	92.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	109.6	178.9	-178.9	0	0	0	0	108.5	T39 F49 Q50 V52 V72 I76 F146 A188 P189 A190	T39-V74 HydrophobicContact CG2-CG1 4.35Å; T39-V74 HydrophobicContact CG2-CG2 4.01Å; F49-V74 HydrophobicContact CB-CG1 4.4Å; Q50-V74 WeakPolarHBondContact O-CG1 3.49Å; V52-V74 HydrophobicContact CG2-CB 4.49Å; V52-V74 HydrophobicContact CG2-CG2 4.12Å; V72-V74 HydrophobicContact CG1-CG2 4.38Å; V74-I76 PolarHBondContact O-N 3.09Å; V74-F146 HydrophobicContact CB-CE2 4.49Å; V74-F146 HydrophobicContact CB-CZ 4.23Å; V74-F146 HydrophobicContact CG1-CE2 4.21Å; V74-F146 HydrophobicContact CG1-CZ 4.39Å; V74-F146 HydrophobicContact CG2-CZ 3.89Å; V74-A188 PolarHBondContact N-O 3.44Å; V74-P189 CarbonylContact O-C 3.1Å; V74-P189 WeakPolarHBondContact O-CA 3.49Å; V74-A190 PolarHBondContact O-N 3.26Å
75	P	96.8	Very high	91.6	Very high	9 Å²	9	32.5 Å²	32.5	6%	0.058	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	138	-175.2	-21.7	33.3	0	0	0	111.5	Q50 N61 T73	Q50-P75 HydrophobicContact CB-CB 4.16Å; Q50-P75 WeakPolarHBondContact CB-O 3.46Å; Q50-P75 HydrophobicContact CG-CB 4.43Å; Q50-P75 WeakPolarHBondContact CG-O 3.2Å; Q50-P75 PolarHBondContact N-O 3.49Å; N61-P75 WeakPolarHBondContact ND2-CG 3.29Å; T73-P75 WeakPolarHBondContact O-CD 3.35Å
76	I	95.7	Very high	90.2	Very high	13 Å²	13	41.9 Å²	41.9	7%	0.067	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-91.7	141.5	175.4	-75	171.3	0	0	0	109.9	R48 F49 Q50 V74 L79 W126 P189 A190 V191 W234	R48-I76 CarbonylContact O-C 3.53Å; R48-I76 WeakPolarHBondContact O-CA 3.47Å; F49-I76 HydrophobicContact CD1-CG1 4.42Å; Q50-I76 PolarHBondContact NE2-O 3.12Å; V74-I76 PolarHBondContact O-N 3.09Å; I76-L79 HydrophobicContact CG2-CD1 4.24Å; I76-W126 HydrophobicContact CB-CZ2 4.47Å; I76-W126 HydrophobicContact CD1-CH2 4.12Å; I76-W126 HydrophobicContact CG1-CH2 4.39Å; I76-W126 HydrophobicContact CG2-CH2 3.55Å; I76-W126 HydrophobicContact CG2-CZ2 3.15Å; I76-P189 HydrophobicContact CD1-CB 3.65Å; I76-P189 HydrophobicContact CG1-CB 4.01Å; I76-A190 WeakPolarHBondContact CB-O 3.47Å; I76-A190 PolarHBondContact N-O 3.49Å; I76-V191 HydrophobicContact CB-CG2 4.35Å; I76-V191 HydrophobicContact CD1-CG2 3.67Å; I76-V191 HydrophobicContact CG2-CG2 4.42Å; I76-W234 HydrophobicContact CD1-CH2 4.21Å
77	K	94.7	Very high	88.6	Confident	115 Å²	115	50.1 Å²	50.1	50%	0.5	25%	0.254	S	S	.	.			trans	-104	151.1	175.8	-162.7	173.3	179.4	178.3	0	111.8	I47 R48 Q50 W126	I47-K77 WeakPolarHBondContact O-CB 3.48Å; R48-K77 PolarHBondContact O-N 3.35Å; Q50-K77 HydrophobicContact CG-CB 3.81Å; K77-W126 PolarHBondContact O-NE1 3.34Å
78	G	92	Very high	87.1	Confident	20 Å²	20	54.1 Å²	54.1	21%	0.206	27%	0.271	C	S	.	.	S	Bend	trans	87.1	21.1	167.4	0	0	0	0	0	115	S122 L123	G78-S122 CarbonylContact O-C 3.57Å; G78-S122 WeakPolarHBondContact O-CA 3.2Å; G78-L123 PolarHBondContact O-N 2.79Å
79	L	94.2	Very high	85.8	Confident	20 Å²	20	63.8 Å²	63.8	11%	0.105	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	109.9	167.3	-62.8	174.1	0	0	0	106.7	I76 F119 W126 I137 V191	I76-L79 HydrophobicContact CG2-CD1 4.24Å; L79-F119 HydrophobicContact CB-CD1 3.73Å; L79-F119 HydrophobicContact CB-CD2 4.2Å; L79-F119 HydrophobicContact CB-CE1 3.64Å; L79-F119 HydrophobicContact CB-CE2 4.12Å; L79-F119 HydrophobicContact CB-CG 3.99Å; L79-F119 HydrophobicContact CB-CZ 3.83Å; L79-F119 HydrophobicContact CD1-CE2 4.13Å; L79-F119 HydrophobicContact CD1-CZ 4.15Å; L79-F119 HydrophobicContact CD2-CD2 3.82Å; L79-F119 HydrophobicContact CD2-CE2 4.05Å; L79-F119 HydrophobicContact CD2-CG 4.18Å; L79-F119 HydrophobicContact CG-CD2 4.46Å; L79-F119 HydrophobicContact CG-CE2 4.33Å; L79-F119 HydrophobicContact CG-CZ 4.42Å; L79-W126 HydrophobicContact CD1-CD2 4.18Å; L79-W126 HydrophobicContact CD1-CE3 4.47Å; L79-W126 HydrophobicContact CD2-CB 4.17Å; L79-W126 HydrophobicContact CD2-CD2 4.16Å; L79-W126 HydrophobicContact CD2-CG 3.73Å; L79-W126 HydrophobicContact CG-CD2 4.21Å; L79-W126 HydrophobicContact CG-CG 4.2Å; L79-I137 HydrophobicContact CD1-CD1 3.72Å; L79-I137 HydrophobicContact CD2-CD1 3.72Å; L79-I137 HydrophobicContact CG-CD1 4.4Å; L79-V191 HydrophobicContact CD1-CG1 4.07Å; L79-V191 HydrophobicContact CD1-CG2 3.98Å
80	A	93.1	Very high	84.8	Confident	49 Å²	49	67.7 Å²	67.7	41%	0.405	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	151.2	-174.2	0	0	0	0	0	113	F119 M120 K121	A80-F119 CarbonylContact O-C 3.43Å; A80-M120 PolarHBondContact O-N 2.97Å; A80-K121 HydrophobicContact CB-CB 4.37Å; A80-K121 PolarHBondContact N-O 3.45Å; A80-K121 PolarHBondContact O-N 3.01Å
81	G	91.4	Very high	83.8	Confident	38 Å²	38	69.8 Å²	69.8	39%	0.392	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	69.2	50.5	-177.8	0	0	0	0	0	112.1	M120	G81-M120 WeakPolarHBondContact O-CG 3.48Å; G81-M120 PolarHBondContact O-N 3.19Å; G81-M120 VanDerWaalsContact O-N 3.15Å
82	Y	93.1	Very high	83	Confident	20 Å²	20	69.7 Å²	69.7	8%	0.078	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	137.4	178.4	177.8	-99.5	0	0	0	111.7	E84 Q112 L114 Q118 F119 I193 F224	Y82-E84 HydrophobicContact CE1-CB 4.15Å; Y82-E84 HydrophobicContact CE1-CG 4.42Å; Y82-Q112 PolarHBondContact OH-NE2 3.27Å; Y82-L114 HydrophobicContact CD2-CD1 4.32Å; Y82-L114 HydrophobicContact CE2-CD1 3.87Å; Y82-Q118 CarbonylContact C-O 3.07Å; Y82-Q118 VanDerWaalsContact CA-O 3.32Å; Y82-Q118 WeakPolarHBondContact CA-O 3.25Å; Y82-Q118 HydrophobicContact CD2-CB 4.2Å; Y82-Q118 HydrophobicContact CE2-CB 4.13Å; Y82-Q118 PolarHBondContact OH-NE2 2.98Å; Y82-F119 HydrophobicContact CD2-CD1 4.41Å; Y82-F119 AromaticContact CD2-CE1 3.8Å; Y82-F119 HydrophobicContact CD2-CE1 3.8Å; Y82-F119 HydrophobicContact CD2-CE2 4.43Å; Y82-F119 AromaticContact CD2-CZ 3.83Å; Y82-F119 HydrophobicContact CD2-CZ 3.83Å; Y82-F119 HydrophobicContact CG-CE1 4.3Å; Y82-I193 HydrophobicContact CD1-CD1 3.82Å; Y82-I193 HydrophobicContact CD1-CG1 4.27Å; Y82-I193 HydrophobicContact CD1-CG2 3.57Å; Y82-I193 HydrophobicContact CD2-CD1 3.72Å; Y82-I193 HydrophobicContact CD2-CG1 4.3Å; Y82-I193 HydrophobicContact CE1-CD1 3.95Å; Y82-I193 HydrophobicContact CE1-CG2 4.36Å; Y82-I193 HydrophobicContact CE2-CD1 3.85Å; Y82-I193 HydrophobicContact CG-CD1 3.69Å; Y82-I193 HydrophobicContact CG-CG1 3.96Å; Y82-I193 HydrophobicContact CG-CG2 3.91Å; Y82-F224 AromaticContact CE1-CZ 3.95Å; Y82-F224 HydrophobicContact CE1-CZ 3.95Å
83	R	89.8	Confident	82	Confident	157 Å²	157	69.9 Å²	69.9	59%	0.592	33%	0.325	S	S	*	.			trans	-128.3	130.1	171.3	-63.3	-177.5	-177.3	-177	2.3	108.5	A85 Q118 M120	R83-A85 PolarHBondContact O-N 3.05Å; R83-Q118 PolarHBondContact N-O 3.03Å; R83-Q118 WeakPolarHBondContact O-CB 3.43Å; R83-Q118 PolarHBondContact O-NE2 3.07Å; R83-M120 HydrophobicContact CG-CE 4.26Å; R83-M120 VanDerWaalsContact NH2-CE 3.27Å; R83-M120 PolarHBondContact NH2-SD 2.87Å
84	E	81.6	Confident	81.3	Confident	42 Å²	42	71.2 Å²	71.2	20%	0.196	33%	0.333	C	S	.	.			trans	-69.4	130.5	178.9	-152	149.9	-164.2	0	0	109.4	Y82 S198 E199	Y82-E84 HydrophobicContact CE1-CB 4.15Å; Y82-E84 HydrophobicContact CE1-CG 4.42Å; E84-S198 PolarHBondContact OE1-OG 2.79Å; E84-E199 PolarHBondContact OE1-N 2.73Å; E84-E199 WeakPolarHBondContact OE2-CB 3.27Å; E84-E199 VanDerWaalsContact OE2-CG 3.29Å; E84-E199 WeakPolarHBondContact OE2-CG 3.23Å; E84-E199 PolarHBondContact OE2-N 3.17Å
85	A	70.5	Confident	80.4	Confident	49 Å²	49	75.1 Å²	75.1	41%	0.405	35%	0.353	S	S	.	.			trans	-77.2	140.4	-176.4	0	0	0	0	0	111	R83 E87 Q118	R83-A85 PolarHBondContact O-N 3.05Å; A85-E87 PolarHBondContact O-N 3.02Å; A85-Q118 HydrophobicContact CB-CG 4.15Å
86	R	61.4	Low	79.7	Confident	247 Å²	247	82.4 Å²	82.4	93%	0.932	39%	0.386	S	S	*	.	S	Bend	trans	-80.4	33.6	-174	-69.3	-173.5	174.1	-172.2	-0.9	115.1
87	E	55.5	Low	78.9	Confident	187 Å²	187	83 Å²	83	87%	0.874	40%	0.396	S	S	*	.			trans	85.6	127.3	-175.9	-53.8	180	154.9	0	0	116.4	A85	A85-E87 PolarHBondContact O-N 3.02Å
88	Q	57.1	Low	78.4	Confident	112 Å²	112	81.7 Å²	81.7	52%	0.523	40%	0.398	S	S	.	.			trans	-132.1	147.1	162.6	-80.3	-103.2	-6.5	0	0	107.9
89	R	62.5	Low	77.8	Confident	229 Å²	229	88 Å²	88	86%	0.864	42%	0.415	S	S	*	.			trans	-66.2	131.4	174.7	-70.7	177.3	176.1	173.3	-1.4	110.1	R91 W113	R89-R91 PolarHBondContact O-N 3.06Å; R89-R91 VanDerWaalsContact O-N 3.16Å; R89-W113 WeakPolarHBondContact O-CH2 3.27Å
90	W	70.7	Confident	77.1	Confident	96 Å²	96	90.5 Å²	90.5	36%	0.364	43%	0.428	S	S	.	.			trans	-38.1	113.4	176.7	-58.6	105	0	0	0	114.4	Y92 P107 W113 H233	W90-Y92 HydrophobicContact CB-CD2 4.38Å; W90-Y92 HydrophobicContact CB-CE2 3.33Å; W90-Y92 WeakPolarHBondContact CB-OH 3.17Å; W90-Y92 HydrophobicContact CG-CE2 4.44Å; W90-P107 HydrophobicContact CD2-CG 3.29Å; W90-P107 HydrophobicContact CE3-CB 4.17Å; W90-P107 HydrophobicContact CE3-CG 3.33Å; W90-P107 HydrophobicContact CG-CG 4.08Å; W90-P107 HydrophobicContact CH2-CB 3.7Å; W90-P107 HydrophobicContact CH2-CG 3.27Å; W90-P107 HydrophobicContact CZ2-CB 4.11Å; W90-P107 HydrophobicContact CZ2-CG 3.25Å; W90-P107 HydrophobicContact CZ3-CB 3.72Å; W90-P107 HydrophobicContact CZ3-CG 3.29Å; W90-W113 VanDerWaalsContact C-CH2 3.47Å; W90-W113 HydrophobicContact CB-CZ2 4.11Å; W90-W113 AromaticContact CD2-CE2 3.88Å; W90-W113 AromaticContact CD2-CZ2 3.98Å; W90-W113 HydrophobicContact CD2-CZ2 3.98Å; W90-W113 AromaticContact CD2-NE1 3.64Å; W90-W113 HydrophobicContact CE3-CD2 4.07Å; W90-W113 AromaticContact CE3-CE2 3.27Å; W90-W113 AromaticContact CE3-CZ2 3.77Å; W90-W113 HydrophobicContact CE3-CZ2 3.77Å; W90-W113 AromaticContact CE3-NE1 3.02Å; W90-W113 HydrophobicContact CG-CZ2 4.18Å; W90-W113 AromaticContact CH2-NE1 3.49Å; W90-W113 AromaticContact CZ3-CD1 3.56Å; W90-W113 HydrophobicContact CZ3-CD2 4.26Å; W90-W113 AromaticContact CZ3-CE2 3.68Å; W90-W113 HydrophobicContact CZ3-CG 4.32Å; W90-W113 AromaticContact CZ3-NE1 2.97Å; W90-W113 VanDerWaalsContact N-CZ2 3.33Å; W90-H233 AromaticContact CE3-CD2 3.96Å; W90-H233 AromaticContact CE3-NE2 3.76Å; W90-H233 AromaticContact CZ3-CD2 3.67Å; W90-H233 AromaticContact CZ3-NE2 3.87Å
91	R	73.8	Confident	76.2	Confident	44 Å²	44	94.5 Å²	94.5	17%	0.166	45%	0.45	C	S	.	.			trans	-103	130.5	174.4	-54.4	175.6	-72.6	-160.3	-12.5	107.3	R89 Y93 W113 E115 D136	R89-R91 PolarHBondContact O-N 3.06Å; R89-R91 VanDerWaalsContact O-N 3.16Å; R91-Y93 HydrophobicContact CB-CE2 3.92Å; R91-Y93 VanDerWaalsContact CD-OH 3.23Å; R91-Y93 WeakPolarHBondContact CD-OH 3.41Å; R91-Y93 PolarHBondContact NE-OH 2.86Å; R91-W113 HydrophobicContact CB-CH2 3.85Å; R91-W113 HydrophobicContact CB-CZ3 3.51Å; R91-W113 HydrophobicContact CG-CH2 3.76Å; R91-W113 HydrophobicContact CG-CZ3 3.76Å; R91-E115 IonicContact NH2-OE1 3.69Å; R91-E115 PolarHBondContact NH2-OE1 2.84Å; R91-E115 IonicContact NH2-OE2 2.89Å; R91-D136 IonicContact CZ-OD1 3.58Å; R91-D136 IonicContact CZ-OD2 3.45Å; R91-D136 IonicContact NE-OD1 2.74Å; R91-D136 IonicContact NE-OD2 3.92Å; R91-D136 PolarHBondContact NE-OD2 3.07Å; R91-D136 VanDerWaalsContact NH2-CG 3.29Å; R91-D136 IonicContact NH2-OD1 2.57Å; R91-D136 PolarHBondContact NH2-OD1 3.33Å; R91-D136 IonicContact NH2-OD2 2.77Å; R91-D136 PolarHBondContact NH2-OD2 3.06Å
92	Y	77.8	Confident	74.9	Confident	12 Å²	12	97.4 Å²	97.4	5%	0.047	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	143	179.2	-65.3	-82.3	0	0	0	108.1	W90 R99 L100 P103 P107 H233	W90-Y92 HydrophobicContact CB-CD2 4.38Å; W90-Y92 HydrophobicContact CB-CE2 3.33Å; W90-Y92 WeakPolarHBondContact CB-OH 3.17Å; W90-Y92 HydrophobicContact CG-CE2 4.44Å; Y92-R99 CarbonylContact O-C 3.59Å; Y92-R99 WeakPolarHBondContact O-CA 3.43Å; Y92-L100 PolarHBondContact O-N 3.37Å; Y92-P103 HydrophobicContact CD1-CB 4.24Å; Y92-P103 HydrophobicContact CD2-CB 4.23Å; Y92-P103 HydrophobicContact CD2-CG 4.3Å; Y92-P103 HydrophobicContact CE1-CB 3.59Å; Y92-P103 HydrophobicContact CE1-CG 4.27Å; Y92-P103 HydrophobicContact CE2-CB 3.59Å; Y92-P103 HydrophobicContact CE2-CG 3.41Å; Y92-P103 VanDerWaalsContact CE2-CG 3.41Å; Y92-P103 VanDerWaalsContact CZ-CG 3.41Å; Y92-P103 WeakPolarHBondContact OH-CB 3.45Å; Y92-P103 VanDerWaalsContact OH-CG 3.25Å; Y92-P103 WeakPolarHBondContact OH-CG 3.43Å; Y92-P107 WeakPolarHBondContact OH-CD 3.48Å; Y92-H233 AromaticContact CE1-CE1 3.62Å; Y92-H233 AromaticContact CE1-NE2 3.45Å; Y92-H233 WeakPolarHBondContact CE1-NE2 3.47Å; Y92-H233 AromaticContact CZ-NE2 3.93Å
93	Y	76.8	Confident	73.7	Confident	5 Å²	5	97.9 Å²	97.9	2%	0.02	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	156.3	-178.7	-53.2	-81.8	0	0	0	109.8	R91 T98 R99 I133 D134 D136 Y232	R91-Y93 HydrophobicContact CB-CE2 3.92Å; R91-Y93 VanDerWaalsContact CD-OH 3.23Å; R91-Y93 WeakPolarHBondContact CD-OH 3.41Å; R91-Y93 PolarHBondContact NE-OH 2.86Å; Y93-T98 CarbonylContact C-O 3.57Å; Y93-T98 VanDerWaalsContact CA-O 3.26Å; Y93-T98 WeakPolarHBondContact CA-O 3.41Å; Y93-R99 HydrophobicContact CD1-CG 3.9Å; Y93-R99 HydrophobicContact CE1-CG 3.73Å; Y93-I133 HydrophobicContact CD1-CB 4.44Å; Y93-I133 HydrophobicContact CD1-CG2 3.5Å; Y93-I133 VanDerWaalsContact CD1-CG2 3.5Å; Y93-I133 HydrophobicContact CD2-CG2 4.45Å; Y93-I133 HydrophobicContact CE1-CG2 3.68Å; Y93-I133 HydrophobicContact CG-CB 4.43Å; Y93-I133 HydrophobicContact CG-CD1 4.14Å; Y93-I133 HydrophobicContact CG-CG2 3.91Å; Y93-D134 HydrophobicContact CE1-CB 4.37Å; Y93-D136 HydrophobicContact CE2-CB 4.38Å; Y93-D136 WeakPolarHBondContact CE2-OD2 3.26Å; Y93-D136 VanDerWaalsContact CZ-OD2 3.28Å; Y93-D136 PolarHBondContact OH-OD2 2.86Å; Y93-Y232 WeakPolarHBondContact O-CE1 3.38Å; Y93-Y232 PolarHBondContact O-OH 3.34Å
94	T	81.3	Confident	72.4	Confident	32 Å²	32	99.6 Å²	99.6	20%	0.196	49%	0.489	C	S	.	.			trans	-76.9	161.6	153.8	64.5	0	0	0	0	108.7	Q96 G97 T98 L100	T94-Q96 PolarHBondContact O-N 3.06Å; T94-Q96 VanDerWaalsContact O-N 3.07Å; T94-Q96 PolarHBondContact OG1-N 2.83Å; T94-G97 PolarHBondContact O-N 3.28Å; T94-G97 PolarHBondContact OG1-N 2.78Å; T94-T98 PolarHBondContact N-O 3.21Å; T94-T98 VanDerWaalsContact OG1-CB 3.25Å; T94-T98 WeakPolarHBondContact OG1-CB 3.29Å; T94-T98 PolarHBondContact OG1-N 2.88Å; T94-T98 PolarHBondContact OG1-OG1 3.38Å; T94-L100 HydrophobicContact CG2-CD1 4.39Å; T94-L100 HydrophobicContact CG2-CD2 3.96Å; T94-L100 HydrophobicContact CG2-CG 4.26Å
95	L	79.1	Confident	71.6	Confident	82 Å²	82	104.6 Å²	104.6	43%	0.429	51%	0.506	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-18.8	174.2	-65.6	178.1	0	0	0	112.4	A140 K141	L95-A140 HydrophobicContact CD2-CB 3.51Å; L95-K141 VanDerWaalsContact O-CE 3.27Å; L95-K141 WeakPolarHBondContact O-CE 3.3Å
96	Q	81.4	Confident	71.3	Confident	161 Å²	161	108.4 Å²	108.4	75%	0.752	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-5.7	174.2	-61.8	76.4	15	0	0	113.5	T94	T94-Q96 PolarHBondContact O-N 3.06Å; T94-Q96 VanDerWaalsContact O-N 3.07Å; T94-Q96 PolarHBondContact OG1-N 2.83Å
97	G	79.3	Confident	71.6	Confident	26 Å²	26	97.6 Å²	97.6	27%	0.268	48%	0.481	S	S	.	.	S	Bend	trans	96.4	2.7	177.5	0	0	0	0	0	115.8	T94 R99	T94-G97 PolarHBondContact O-N 3.28Å; T94-G97 PolarHBondContact OG1-N 2.78Å; G97-R99 PolarHBondContact O-N 2.85Å
98	T	83.5	Confident	72.5	Confident	87 Å²	87	90.9 Å²	90.9	53%	0.534	45%	0.45	S	S	.	.			trans	-73.3	123.9	177.7	-45.2	0	0	0	0	110.3	Y93 T94	Y93-T98 CarbonylContact C-O 3.57Å; Y93-T98 VanDerWaalsContact CA-O 3.26Å; Y93-T98 WeakPolarHBondContact CA-O 3.41Å; T94-T98 PolarHBondContact N-O 3.21Å; T94-T98 VanDerWaalsContact OG1-CB 3.25Å; T94-T98 WeakPolarHBondContact OG1-CB 3.29Å; T94-T98 PolarHBondContact OG1-N 2.88Å; T94-T98 PolarHBondContact OG1-OG1 3.38Å
99	R	80.4	Confident	73.7	Confident	152 Å²	152	86.9 Å²	86.9	57%	0.574	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	135.1	176.2	-72	-174.7	-178.8	-171.2	0.2	111.6	Y92 Y93 G97 D134	Y92-R99 CarbonylContact O-C 3.59Å; Y92-R99 WeakPolarHBondContact O-CA 3.43Å; Y93-R99 HydrophobicContact CD1-CG 3.9Å; Y93-R99 HydrophobicContact CE1-CG 3.73Å; G97-R99 PolarHBondContact O-N 2.85Å; R99-D134 IonicContact CZ-OD2 3.56Å; R99-D134 VanDerWaalsContact CZ-OD2 3.26Å; R99-D134 IonicContact NE-OD2 3.42Å; R99-D134 PolarHBondContact NE-OD2 3.14Å; R99-D134 IonicContact NH2-OD2 3.05Å; R99-D134 PolarHBondContact NH2-OD2 2.75Å
100	L	79.8	Confident	74.9	Confident	73 Å²	73	76.3 Å²	76.3	38%	0.382	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137.4	175.1	-59.8	172.5	0	0	0	109.6	Y92 T94 C102	Y92-L100 PolarHBondContact O-N 3.37Å; T94-L100 HydrophobicContact CG2-CD1 4.39Å; T94-L100 HydrophobicContact CG2-CD2 3.96Å; T94-L100 HydrophobicContact CG2-CG 4.26Å; L100-C102 PolarHBondContact O-N 3.1Å
101	P	73.1	Confident	75.7	Confident	134 Å²	134	73.1 Å²	73.1	87%	0.87	39%	0.389	S	S	*	.	S	Bend	trans	-73.7	-20.2	-168.9	26.3	-33.7	0	0	0	114.9
102	C	65.3	Low	76.3	Confident	98 Å²	98	71.3 Å²	71.3	66%	0.662	38%	0.382	S	S	*	.	S	Bend	trans	-162.6	148.4	-178.5	-145.6	0	0	0	0	110.2	L100	L100-C102 PolarHBondContact O-N 3.1Å
103	P	66.8	Low	76.6	Confident	31 Å²	31	72.4 Å²	72.4	20%	0.201	39%	0.386	C	S	.	.			trans	-67.8	156.4	168.4	22.7	-21.2	0	0	0	111.3	Y92 R105	Y92-P103 HydrophobicContact CD1-CB 4.24Å; Y92-P103 HydrophobicContact CD2-CB 4.23Å; Y92-P103 HydrophobicContact CD2-CG 4.3Å; Y92-P103 HydrophobicContact CE1-CB 3.59Å; Y92-P103 HydrophobicContact CE1-CG 4.27Å; Y92-P103 HydrophobicContact CE2-CB 3.59Å; Y92-P103 HydrophobicContact CE2-CG 3.41Å; Y92-P103 VanDerWaalsContact CE2-CG 3.41Å; Y92-P103 VanDerWaalsContact CZ-CG 3.41Å; Y92-P103 WeakPolarHBondContact OH-CB 3.45Å; Y92-P103 VanDerWaalsContact OH-CG 3.25Å; Y92-P103 WeakPolarHBondContact OH-CG 3.43Å; P103-R105 VanDerWaalsContact CB-O 3.27Å; P103-R105 WeakPolarHBondContact CB-O 3.48Å
104	L	62.9	Low	77.3	Confident	193 Å²	193	72.2 Å²	72.2	100%	1.01	39%	0.386	S	S	*	.	S	Bend	trans	-71.3	-21.1	163.9	-66.6	173	0	0	0	112.6
105	R	65.3	Low	77.7	Confident	146 Å²	146	71.9 Å²	71.9	55%	0.551	38%	0.382	S	S	*	.	S	Bend	trans	-151.9	136.4	179.3	-178.1	-175.5	-85	-158.4	-3.1	110.5	P103 C337	P103-R105 VanDerWaalsContact CB-O 3.27Å; P103-R105 WeakPolarHBondContact CB-O 3.48Å; R105-C337 PolarHBondContact NH1-SG 3.48Å
106	D	63.4	Low	78.3	Confident	130 Å²	130	68.2 Å²	68.2	70%	0.695	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-56.7	130.2	171.9	-72.6	-32.4	0	0	0	110.9
107	P	67.6	Low	78.7	Confident	19 Å²	19	68.9 Å²	68.9	12%	0.123	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-65.1	140.5	-178	20.7	-29.1	0	0	0	111.5	W90 Y92 Q111	W90-P107 HydrophobicContact CD2-CG 3.29Å; W90-P107 HydrophobicContact CE3-CB 4.17Å; W90-P107 HydrophobicContact CE3-CG 3.33Å; W90-P107 HydrophobicContact CG-CG 4.08Å; W90-P107 HydrophobicContact CH2-CB 3.7Å; W90-P107 HydrophobicContact CH2-CG 3.27Å; W90-P107 HydrophobicContact CZ2-CB 4.11Å; W90-P107 HydrophobicContact CZ2-CG 3.25Å; W90-P107 HydrophobicContact CZ3-CB 3.72Å; W90-P107 HydrophobicContact CZ3-CG 3.29Å; Y92-P107 WeakPolarHBondContact OH-CD 3.48Å; P107-Q111 HydrophobicContact CB-CB 4.11Å
108	E	74.7	Confident	79.3	Confident	46 Å²	46	68.4 Å²	68.4	22%	0.215	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-65.8	157.1	-174.8	-63.8	-176.4	-174.7	0	0	111.5	L110 Q111 C337	E108-L110 PolarHBondContact O-N 2.98Å; E108-Q111 HydrophobicContact CB-CG 4.43Å; E108-Q111 WeakPolarHBondContact O-CB 3.49Å; E108-Q111 PolarHBondContact O-N 3.46Å; E108-C337 PolarHBondContact OE1-SG 2.95Å
109	G	81.6	Confident	79.8	Confident	28 Å²	28	64.9 Å²	64.9	29%	0.289	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-18.3	-179.4	0	0	0	0	0	115.2	Q111 V329	G109-Q111 VanDerWaalsContact C-N 3.34Å; G109-V329 WeakPolarHBondContact O-CG1 3.49Å
110	L	87.5	Confident	80.4	Confident	8 Å²	8	63.2 Å²	63.2	4%	0.042	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-12.5	174.4	-72.9	168.9	0	0	0	113.6	E108 Q235 L236 V329 S332 L334	E108-L110 PolarHBondContact O-N 2.98Å; L110-Q235 HydrophobicContact CB-CG 4.28Å; L110-L236 HydrophobicContact CD2-CB 4.32Å; L110-L236 WeakPolarHBondContact O-CB 3.47Å; L110-L236 WeakPolarHBondContact O-CG 3.15Å; L110-L236 PolarHBondContact O-N 2.98Å; L110-V329 HydrophobicContact CD2-CB 3.79Å; L110-V329 HydrophobicContact CD2-CG1 4.17Å; L110-V329 HydrophobicContact CD2-CG2 3.62Å; L110-V329 HydrophobicContact CG-CB 4.46Å; L110-V329 HydrophobicContact CG-CG1 4.43Å; L110-S332 WeakPolarHBondContact CD1-OG 3.43Å; L110-S332 WeakPolarHBondContact CG-OG 3.28Å; L110-L334 HydrophobicContact CD1-CD2 4.35Å
111	Q	87.9	Confident	81	Confident	29 Å²	29	67.3 Å²	67.3	14%	0.136	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	142.4	-174.5	-68.7	-178.9	-2.3	0	0	111	P107 E108 G109 K200 H233 W234	P107-Q111 HydrophobicContact CB-CB 4.11Å; E108-Q111 HydrophobicContact CB-CG 4.43Å; E108-Q111 WeakPolarHBondContact O-CB 3.49Å; E108-Q111 PolarHBondContact O-N 3.46Å; G109-Q111 VanDerWaalsContact C-N 3.34Å; Q111-K200 PolarHBondContact O-NZ 3.3Å; Q111-H233 HydrophobicContact CB-CB 3.76Å; Q111-H233 HydrophobicContact CG-CB 4.03Å; Q111-H233 PolarHBondContact OE1-ND1 3.16Å; Q111-W234 CarbonylContact C-O 3.45Å; Q111-W234 WeakPolarHBondContact CA-O 3.32Å
112	Q	86.4	Confident	82.1	Confident	5 Å²	5	63.1 Å²	63.1	2%	0.023	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	171.6	172.2	74.4	170.7	21.4	0	0	112	Y82 K200 L226 W234	Y82-Q112 PolarHBondContact OH-NE2 3.27Å; Q112-K200 VanDerWaalsContact CB-NZ 3.32Å; Q112-L226 HydrophobicContact CG-CD2 3.57Å; Q112-W234 HydrophobicContact CG-CB 4.49Å; Q112-W234 PolarHBondContact N-O 3.35Å; Q112-W234 PolarHBondContact O-N 3.25Å
113	W	85.5	Confident	83.5	Confident	35 Å²	35	61 Å²	61	13%	0.133	30%	0.304	C	S	.	.			trans	-97.3	163.4	-179.6	-46.7	71.6	0	0	0	108.9	R89 W90 R91	R89-W113 WeakPolarHBondContact O-CH2 3.27Å; W90-W113 VanDerWaalsContact C-CH2 3.47Å; W90-W113 HydrophobicContact CB-CZ2 4.11Å; W90-W113 AromaticContact CD2-CE2 3.88Å; W90-W113 AromaticContact CD2-CZ2 3.98Å; W90-W113 HydrophobicContact CD2-CZ2 3.98Å; W90-W113 AromaticContact CD2-NE1 3.64Å; W90-W113 HydrophobicContact CE3-CD2 4.07Å; W90-W113 AromaticContact CE3-CE2 3.27Å; W90-W113 AromaticContact CE3-CZ2 3.77Å; W90-W113 HydrophobicContact CE3-CZ2 3.77Å; W90-W113 AromaticContact CE3-NE1 3.02Å; W90-W113 HydrophobicContact CG-CZ2 4.18Å; W90-W113 AromaticContact CH2-NE1 3.49Å; W90-W113 AromaticContact CZ3-CD1 3.56Å; W90-W113 HydrophobicContact CZ3-CD2 4.26Å; W90-W113 AromaticContact CZ3-CE2 3.68Å; W90-W113 HydrophobicContact CZ3-CG 4.32Å; W90-W113 AromaticContact CZ3-NE1 2.97Å; W90-W113 VanDerWaalsContact N-CZ2 3.33Å; R91-W113 HydrophobicContact CB-CH2 3.85Å; R91-W113 HydrophobicContact CB-CZ3 3.51Å; R91-W113 HydrophobicContact CG-CH2 3.76Å; R91-W113 HydrophobicContact CG-CZ3 3.76Å
114	L	89.9	Confident	84.7	Confident	2 Å²	2	67.7 Å²	67.7	1%	0.01	33%	0.326	C	S	.	.			trans	-140.2	105.9	173.5	-161.1	62.2	0	0	0	108.9	Y82 F119 I137 V191 L226 W234	Y82-L114 HydrophobicContact CD2-CD1 4.32Å; Y82-L114 HydrophobicContact CE2-CD1 3.87Å; L114-F119 HydrophobicContact CD1-CE2 3.54Å; L114-F119 HydrophobicContact CD1-CZ 3.6Å; L114-F119 HydrophobicContact CD2-CE2 4.12Å; L114-F119 HydrophobicContact CD2-CZ 4.16Å; L114-F119 HydrophobicContact CG-CE2 3.76Å; L114-F119 HydrophobicContact CG-CZ 4.11Å; L114-I137 HydrophobicContact CB-CB 4.47Å; L114-I137 HydrophobicContact CD2-CD1 4.22Å; L114-I137 HydrophobicContact CG-CD1 4.3Å; L114-I137 PolarHBondContact O-N 3.21Å; L114-V191 HydrophobicContact CD2-CB 4.36Å; L114-V191 HydrophobicContact CD2-CG1 4.24Å; L114-V191 HydrophobicContact CD2-CG2 3.92Å; L114-L226 HydrophobicContact CD1-CD1 3.64Å; L114-L226 HydrophobicContact CD2-CD1 4.19Å; L114-L226 HydrophobicContact CG-CD1 4.44Å; L114-W234 HydrophobicContact CB-CD2 4.45Å; L114-W234 HydrophobicContact CB-CG 4.01Å; L114-W234 VanDerWaalsContact CB-NE1 3.34Å; L114-W234 HydrophobicContact CD2-CD2 4.06Å; L114-W234 HydrophobicContact CD2-CG 4.38Å; L114-W234 HydrophobicContact CD2-CZ2 4Å
115	E	90.8	Very high	86.3	Confident	24 Å²	24	59.7 Å²	59.7	11%	0.112	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-95.3	146.7	172.8	-67.7	174.1	-136.1	0	0	109.4	R91 E117 Q118 G135 D136	R91-E115 IonicContact NH2-OE1 3.69Å; R91-E115 PolarHBondContact NH2-OE1 2.84Å; R91-E115 IonicContact NH2-OE2 2.89Å; E115-E117 PolarHBondContact O-N 3.47Å; E115-Q118 HydrophobicContact CB-CG 4.11Å; E115-Q118 WeakPolarHBondContact O-CB 3.37Å; E115-Q118 PolarHBondContact O-N 3.28Å; E115-Q118 VanDerWaalsContact O-N 3.13Å; E115-G135 WeakPolarHBondContact CA-O 3.39Å; E115-D136 WeakPolarHBondContact CG-OD1 2.87Å
116	V	91.8	Very high	87.7	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.03	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-62.6	-32.7	176.1	-177.3	0	0	0	0	111.1	Q118 F119 S122 W126 H127 N132 G135 I137	V116-Q118 PolarHBondContact O-N 2.85Å; V116-F119 PolarHBondContact O-N 3.12Å; V116-F119 VanDerWaalsContact O-N 3.11Å; V116-S122 VanDerWaalsContact CG1-OG 3.22Å; V116-S122 WeakPolarHBondContact CG1-OG 3.22Å; V116-W126 HydrophobicContact CG2-CB 4.42Å; V116-W126 WeakPolarHBondContact CG2-O 3.35Å; V116-H127 WeakPolarHBondContact CG1-CE1 3.34Å; V116-H127 WeakPolarHBondContact CG1-NE2 3.38Å; V116-N132 VanDerWaalsContact CG2-ND2 3.29Å; V116-N132 WeakPolarHBondContact CG2-ND2 3.34Å; V116-G135 PolarHBondContact N-O 2.91Å; V116-I137 HydrophobicContact CG2-CD1 3.89Å; V116-I137 HydrophobicContact CG2-CG1 3.53Å
117	E	90.3	Very high	89.2	Confident	176 Å²	176	51.6 Å²	51.6	82%	0.822	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-66.6	-16.9	177.7	-62.2	-168.8	168.9	0	0	113.9	E115 F119	E115-E117 PolarHBondContact O-N 3.47Å; E117-F119 PolarHBondContact O-N 3.11Å
118	Q	91.4	Very high	90.5	Very high	16 Å²	16	53.9 Å²	53.9	8%	0.075	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-69.7	-12	173.3	-69	-178.6	-83.4	0	0	112.5	Y82 R83 A85 E115 V116	Y82-Q118 CarbonylContact C-O 3.07Å; Y82-Q118 VanDerWaalsContact CA-O 3.32Å; Y82-Q118 WeakPolarHBondContact CA-O 3.25Å; Y82-Q118 HydrophobicContact CD2-CB 4.2Å; Y82-Q118 HydrophobicContact CE2-CB 4.13Å; Y82-Q118 PolarHBondContact OH-NE2 2.98Å; R83-Q118 PolarHBondContact N-O 3.03Å; R83-Q118 WeakPolarHBondContact O-CB 3.43Å; R83-Q118 PolarHBondContact O-NE2 3.07Å; A85-Q118 HydrophobicContact CB-CG 4.15Å; E115-Q118 HydrophobicContact CB-CG 4.11Å; E115-Q118 WeakPolarHBondContact O-CB 3.37Å; E115-Q118 PolarHBondContact O-N 3.28Å; E115-Q118 VanDerWaalsContact O-N 3.13Å; V116-Q118 PolarHBondContact O-N 2.85Å
119	F	93.8	Very high	91.4	Very high	12 Å²	12	57.5 Å²	57.5	5%	0.053	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	128.6	178.5	-61.9	-83.6	0	0	0	110.4	L79 A80 Y82 L114 V116 E117 K121 I137 V191	L79-F119 HydrophobicContact CB-CD1 3.73Å; L79-F119 HydrophobicContact CB-CD2 4.2Å; L79-F119 HydrophobicContact CB-CE1 3.64Å; L79-F119 HydrophobicContact CB-CE2 4.12Å; L79-F119 HydrophobicContact CB-CG 3.99Å; L79-F119 HydrophobicContact CB-CZ 3.83Å; L79-F119 HydrophobicContact CD1-CE2 4.13Å; L79-F119 HydrophobicContact CD1-CZ 4.15Å; L79-F119 HydrophobicContact CD2-CD2 3.82Å; L79-F119 HydrophobicContact CD2-CE2 4.05Å; L79-F119 HydrophobicContact CD2-CG 4.18Å; L79-F119 HydrophobicContact CG-CD2 4.46Å; L79-F119 HydrophobicContact CG-CE2 4.33Å; L79-F119 HydrophobicContact CG-CZ 4.42Å; A80-F119 CarbonylContact O-C 3.43Å; Y82-F119 HydrophobicContact CD2-CD1 4.41Å; Y82-F119 AromaticContact CD2-CE1 3.8Å; Y82-F119 HydrophobicContact CD2-CE1 3.8Å; Y82-F119 HydrophobicContact CD2-CE2 4.43Å; Y82-F119 AromaticContact CD2-CZ 3.83Å; Y82-F119 HydrophobicContact CD2-CZ 3.83Å; Y82-F119 HydrophobicContact CG-CE1 4.3Å; L114-F119 HydrophobicContact CD1-CE2 3.54Å; L114-F119 HydrophobicContact CD1-CZ 3.6Å; L114-F119 HydrophobicContact CD2-CE2 4.12Å; L114-F119 HydrophobicContact CD2-CZ 4.16Å; L114-F119 HydrophobicContact CG-CE2 3.76Å; L114-F119 HydrophobicContact CG-CZ 4.11Å; V116-F119 PolarHBondContact O-N 3.12Å; V116-F119 VanDerWaalsContact O-N 3.11Å; E117-F119 PolarHBondContact O-N 3.11Å; F119-K121 PolarHBondContact O-N 3.27Å; F119-I137 HydrophobicContact CE2-CD1 4.43Å; F119-V191 HydrophobicContact CE1-CG1 4.25Å; F119-V191 HydrophobicContact CZ-CG1 3.87Å
120	M	92.7	Very high	91.9	Very high	118 Å²	118	58.6 Å²	58.6	58%	0.581	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.4	-29.2	173.2	-65.8	-173.4	-138.6	0	0	112.6	A80 G81 R83	A80-M120 PolarHBondContact O-N 2.97Å; G81-M120 WeakPolarHBondContact O-CG 3.48Å; G81-M120 PolarHBondContact O-N 3.19Å; G81-M120 VanDerWaalsContact O-N 3.15Å; R83-M120 HydrophobicContact CG-CE 4.26Å; R83-M120 VanDerWaalsContact NH2-CE 3.27Å; R83-M120 PolarHBondContact NH2-SD 2.87Å
121	K	92.6	Very high	92.2	Very high	159 Å²	159	58.2 Å²	58.2	69%	0.691	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.5	123.5	176.8	-61.5	-178.3	-177.9	180	0	109	A80 F119	A80-K121 HydrophobicContact CB-CB 4.37Å; A80-K121 PolarHBondContact N-O 3.45Å; A80-K121 PolarHBondContact O-N 3.01Å; F119-K121 PolarHBondContact O-N 3.27Å
122	S	94.9	Very high	92.4	Very high	46 Å²	46	57.8 Å²	57.8	32%	0.322	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.3	173.7	56	0	0	0	0	111.4	G78 V116 H127	G78-S122 CarbonylContact O-C 3.57Å; G78-S122 WeakPolarHBondContact O-CA 3.2Å; V116-S122 VanDerWaalsContact CG1-OG 3.22Å; V116-S122 WeakPolarHBondContact CG1-OG 3.22Å; S122-H127 PolarHBondContact OG-NE2 2.81Å; S122-H127 VanDerWaalsContact OG-NE2 3.08Å
123	L	94.9	Very high	92.7	Very high	52 Å²	52	58 Å²	58	27%	0.272	28%	0.278	S	S	.	.			trans	-70.6	145.9	168.2	-79.4	176.9	0	0	0	110	I47 G78 Q125 W126 H127	I47-L123 HydrophobicContact CD1-CD1 3.94Å; I47-L123 HydrophobicContact CG1-CD1 4.4Å; G78-L123 PolarHBondContact O-N 2.79Å; L123-Q125 PolarHBondContact O-N 2.84Å; L123-W126 PolarHBondContact O-N 3.21Å; L123-W126 VanDerWaalsContact O-N 3.07Å; L123-H127 PolarHBondContact O-CD2 3.36Å
124	W	92.9	Very high	92.7	Very high	172 Å²	172	60.5 Å²	60.5	65%	0.652	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-62.1	-28	-176.7	68.1	-91.1	0	0	0	112.8	W126 H127 E128	W124-W126 PolarHBondContact O-N 3.32Å; W124-W126 VanDerWaalsContact O-N 3.12Å; W124-H127 WeakPolarHBondContact O-CB 3.38Å; W124-H127 PolarHBondContact O-N 3.02Å; W124-E128 HydrophobicContact CE3-CG 4.41Å; W124-E128 WeakPolarHBondContact CH2-OE1 3.48Å; W124-E128 HydrophobicContact CZ3-CG 4.19Å; W124-E128 WeakPolarHBondContact CZ3-OE1 3.36Å
125	Q	95.4	Very high	92.6	Very high	25 Å²	25	61.8 Å²	61.8	12%	0.117	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-63.5	-14.8	175.6	-62.6	90.6	-20.7	0	0	114.3	I47 R48 L123 H127 V131	I47-Q125 VanDerWaalsContact CD1-NE2 3.28Å; R48-Q125 HydrophobicContact CG-CB 3.97Å; R48-Q125 PolarHBondContact NH1-O 2.93Å; R48-Q125 VanDerWaalsContact NH1-O 3.11Å; L123-Q125 PolarHBondContact O-N 2.84Å; Q125-H127 VanDerWaalsContact C-N 3.31Å; Q125-V131 WeakPolarHBondContact O-CG2 3.32Å
126	W	95.8	Very high	92.6	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-83.3	-8.7	173.5	-67	109.1	0	0	0	113.6	R48 I76 K77 L79 V116 L123 W124 V131 N132 I137 V142	R48-W126 HydrophobicContact CB-CH2 4.16Å; R48-W126 HydrophobicContact CB-CZ2 3.58Å; R48-W126 HydrophobicContact CG-CH2 4.4Å; R48-W126 HydrophobicContact CG-CZ2 3.68Å; I76-W126 HydrophobicContact CB-CZ2 4.47Å; I76-W126 HydrophobicContact CD1-CH2 4.12Å; I76-W126 HydrophobicContact CG1-CH2 4.39Å; I76-W126 HydrophobicContact CG2-CH2 3.55Å; I76-W126 HydrophobicContact CG2-CZ2 3.15Å; K77-W126 PolarHBondContact O-NE1 3.34Å; L79-W126 HydrophobicContact CD1-CD2 4.18Å; L79-W126 HydrophobicContact CD1-CE3 4.47Å; L79-W126 HydrophobicContact CD2-CB 4.17Å; L79-W126 HydrophobicContact CD2-CD2 4.16Å; L79-W126 HydrophobicContact CD2-CG 3.73Å; L79-W126 HydrophobicContact CG-CD2 4.21Å; L79-W126 HydrophobicContact CG-CG 4.2Å; V116-W126 HydrophobicContact CG2-CB 4.42Å; V116-W126 WeakPolarHBondContact CG2-O 3.35Å; L123-W126 PolarHBondContact O-N 3.21Å; L123-W126 VanDerWaalsContact O-N 3.07Å; W124-W126 PolarHBondContact O-N 3.32Å; W124-W126 VanDerWaalsContact O-N 3.12Å; W126-V131 HydrophobicContact CE3-CG2 4.07Å; W126-N132 PolarHBondContact O-ND2 3.47Å; W126-I137 HydrophobicContact CE3-CD1 4.22Å; W126-I137 HydrophobicContact CE3-CG2 3.82Å; W126-I137 HydrophobicContact CZ3-CG2 3.96Å; W126-V142 HydrophobicContact CZ3-CG1 4.49Å; W126-V142 HydrophobicContact CZ3-CG2 3.92Å
127	H	94.9	Very high	92.7	Very high	106 Å²	106	60.9 Å²	60.9	49%	0.491	30%	0.304	S	S	.	.	S	Bend	trans	-95.9	-6.5	174.7	-58.1	-102	0	0	0	112	V116 S122 L123 W124 Q125	V116-H127 WeakPolarHBondContact CG1-CE1 3.34Å; V116-H127 WeakPolarHBondContact CG1-NE2 3.38Å; S122-H127 PolarHBondContact OG-NE2 2.81Å; S122-H127 VanDerWaalsContact OG-NE2 3.08Å; L123-H127 PolarHBondContact O-CD2 3.36Å; W124-H127 WeakPolarHBondContact O-CB 3.38Å; W124-H127 PolarHBondContact O-N 3.02Å; Q125-H127 VanDerWaalsContact C-N 3.31Å
128	E	94.9	Very high	92.8	Very high	67 Å²	67	52.7 Å²	52.7	31%	0.313	27%	0.266	S	S	.	.	S	Bend	trans	-69.3	148.2	178.7	-73.4	-176.6	-143.3	0	0	112.2	W124 D130 V131 N132	W124-E128 HydrophobicContact CE3-CG 4.41Å; W124-E128 WeakPolarHBondContact CH2-OE1 3.48Å; W124-E128 HydrophobicContact CZ3-CG 4.19Å; W124-E128 WeakPolarHBondContact CZ3-OE1 3.36Å; E128-D130 WeakPolarHBondContact CB-OD1 3.42Å; E128-D130 PolarHBondContact O-N 3.48Å; E128-D130 VanDerWaalsContact O-N 3.14Å; E128-V131 PolarHBondContact O-N 2.95Å; E128-N132 WeakPolarHBondContact O-CB 3.38Å; E128-N132 PolarHBondContact O-N 3.24Å
129	T	92.9	Very high	92.8	Very high	122 Å²	122	51.9 Å²	51.9	75%	0.748	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-11.9	-176.9	60.7	0	0	0	0	113.5	V131 K141	T129-V131 VanDerWaalsContact C-N 3.31Å; T129-K141 PolarHBondContact O-NZ 2.83Å
130	D	93.1	Very high	92.8	Very high	52 Å²	52	52 Å²	52	28%	0.278	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-23.7	176.3	73.8	-29.6	0	0	0	112.6	R48 E128 K141 V145	R48-D130 IonicContact CZ-OD2 3.9Å; R48-D130 IonicContact NH1-OD1 3.76Å; R48-D130 PolarHBondContact NH1-OD1 3.46Å; R48-D130 IonicContact NH1-OD2 3.54Å; R48-D130 PolarHBondContact NH1-OD2 3.41Å; R48-D130 IonicContact NH2-OD2 3.12Å; R48-D130 PolarHBondContact NH2-OD2 3.5Å; E128-D130 WeakPolarHBondContact CB-OD1 3.42Å; E128-D130 PolarHBondContact O-N 3.48Å; E128-D130 VanDerWaalsContact O-N 3.14Å; D130-K141 VanDerWaalsContact O-CB 3.29Å; D130-K141 WeakPolarHBondContact O-CB 3.35Å; D130-V145 HydrophobicContact CB-CG2 4.17Å; D130-V145 WeakPolarHBondContact OD2-CG2 3.31Å
131	V	93	Very high	92.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	-21.8	179.1	-64.7	0	0	0	0	114	Q125 W126 E128 T129 V138 V142 V145	Q125-V131 WeakPolarHBondContact O-CG2 3.32Å; W126-V131 HydrophobicContact CE3-CG2 4.07Å; E128-V131 PolarHBondContact O-N 2.95Å; T129-V131 VanDerWaalsContact C-N 3.31Å; V131-V138 PolarHBondContact O-N 3.03Å; V131-V142 HydrophobicContact CB-CG2 3.98Å; V131-V142 HydrophobicContact CG1-CG2 3.93Å; V131-V145 HydrophobicContact CG1-CG2 3.99Å
132	N	93.4	Very high	92.9	Very high	19 Å²	19	40.1 Å²	40.1	10%	0.102	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	149.1	-173.1	-162	-78.9	0	0	0	113.1	V116 W126 E128 G135 D136 K141	V116-N132 VanDerWaalsContact CG2-ND2 3.29Å; V116-N132 WeakPolarHBondContact CG2-ND2 3.34Å; W126-N132 PolarHBondContact O-ND2 3.47Å; E128-N132 WeakPolarHBondContact O-CB 3.38Å; E128-N132 PolarHBondContact O-N 3.24Å; N132-G135 PolarHBondContact ND2-O 2.94Å; N132-G135 VanDerWaalsContact OD1-CA 3.28Å; N132-G135 WeakPolarHBondContact OD1-CA 3.48Å; N132-G135 PolarHBondContact OD1-N 2.8Å; N132-D136 CarbonylContact C-O 3.57Å; N132-D136 VanDerWaalsContact CA-O 3.25Å; N132-D136 WeakPolarHBondContact CA-O 3.26Å; N132-D136 PolarHBondContact ND2-O 3.11Å; N132-K141 PolarHBondContact O-NZ 2.77Å
133	I	91	Very high	92.9	Very high	9 Å²	9	38.4 Å²	38.4	5%	0.046	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	121.9	164.4	-55	175.5	0	0	0	108	Y93 G135 D136 V138 K141	Y93-I133 HydrophobicContact CD1-CB 4.44Å; Y93-I133 HydrophobicContact CD1-CG2 3.5Å; Y93-I133 VanDerWaalsContact CD1-CG2 3.5Å; Y93-I133 HydrophobicContact CD2-CG2 4.45Å; Y93-I133 HydrophobicContact CE1-CG2 3.68Å; Y93-I133 HydrophobicContact CG-CB 4.43Å; Y93-I133 HydrophobicContact CG-CD1 4.14Å; Y93-I133 HydrophobicContact CG-CG2 3.91Å; I133-G135 PolarHBondContact O-N 2.88Å; I133-D136 PolarHBondContact N-O 3.46Å; I133-D136 WeakPolarHBondContact O-CB 3.25Å; I133-D136 PolarHBondContact O-N 3.41Å; I133-V138 HydrophobicContact CB-CG2 3.99Å; I133-V138 HydrophobicContact CD1-CG2 3.74Å; I133-V138 HydrophobicContact CG1-CG2 3.74Å; I133-K141 HydrophobicContact CD1-CD 4.19Å; I133-K141 HydrophobicContact CG1-CD 4.04Å
134	D	86.7	Confident	92.8	Very high	89 Å²	89	40.4 Å²	40.4	48%	0.476	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	32.2	176.2	-65	-14.1	0	0	0	114.8	Y93 R99	Y93-D134 HydrophobicContact CE1-CB 4.37Å; R99-D134 IonicContact CZ-OD2 3.56Å; R99-D134 VanDerWaalsContact CZ-OD2 3.26Å; R99-D134 IonicContact NE-OD2 3.42Å; R99-D134 PolarHBondContact NE-OD2 3.14Å; R99-D134 IonicContact NH2-OD2 3.05Å; R99-D134 PolarHBondContact NH2-OD2 2.75Å
135	G	88.5	Confident	93	Very high	28 Å²	28	33.2 Å²	33.2	29%	0.289	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	-13.1	-177.1	0	0	0	0	0	114.8	E115 V116 N132 I133	E115-G135 WeakPolarHBondContact CA-O 3.39Å; V116-G135 PolarHBondContact N-O 2.91Å; N132-G135 PolarHBondContact ND2-O 2.94Å; N132-G135 VanDerWaalsContact OD1-CA 3.28Å; N132-G135 WeakPolarHBondContact OD1-CA 3.48Å; N132-G135 PolarHBondContact OD1-N 2.8Å; I133-G135 PolarHBondContact O-N 2.88Å
136	D	90.3	Very high	93	Very high	7 Å²	7	32 Å²	32	4%	0.037	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.3	175.8	-66.4	-49	0	0	0	111.2	R91 Y93 E115 N132 I133 V138	R91-D136 IonicContact CZ-OD1 3.58Å; R91-D136 IonicContact CZ-OD2 3.45Å; R91-D136 IonicContact NE-OD1 2.74Å; R91-D136 IonicContact NE-OD2 3.92Å; R91-D136 PolarHBondContact NE-OD2 3.07Å; R91-D136 VanDerWaalsContact NH2-CG 3.29Å; R91-D136 IonicContact NH2-OD1 2.57Å; R91-D136 PolarHBondContact NH2-OD1 3.33Å; R91-D136 IonicContact NH2-OD2 2.77Å; R91-D136 PolarHBondContact NH2-OD2 3.06Å; Y93-D136 HydrophobicContact CE2-CB 4.38Å; Y93-D136 WeakPolarHBondContact CE2-OD2 3.26Å; Y93-D136 VanDerWaalsContact CZ-OD2 3.28Å; Y93-D136 PolarHBondContact OH-OD2 2.86Å; E115-D136 WeakPolarHBondContact CG-OD1 2.87Å; N132-D136 CarbonylContact C-O 3.57Å; N132-D136 VanDerWaalsContact CA-O 3.25Å; N132-D136 WeakPolarHBondContact CA-O 3.26Å; N132-D136 PolarHBondContact ND2-O 3.11Å; I133-D136 PolarHBondContact N-O 3.46Å; I133-D136 WeakPolarHBondContact O-CB 3.25Å; I133-D136 PolarHBondContact O-N 3.41Å; D136-V138 HydrophobicContact CB-CG2 4.42Å; D136-V138 PolarHBondContact O-N 2.88Å
137	I	93.1	Very high	93	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	106.5	168.2	-51.7	179.9	0	0	0	107.9	L79 L114 V116 F119 W126 P139 V142 W234	L79-I137 HydrophobicContact CD1-CD1 3.72Å; L79-I137 HydrophobicContact CD2-CD1 3.72Å; L79-I137 HydrophobicContact CG-CD1 4.4Å; L114-I137 HydrophobicContact CB-CB 4.47Å; L114-I137 HydrophobicContact CD2-CD1 4.22Å; L114-I137 HydrophobicContact CG-CD1 4.3Å; L114-I137 PolarHBondContact O-N 3.21Å; V116-I137 HydrophobicContact CG2-CD1 3.89Å; V116-I137 HydrophobicContact CG2-CG1 3.53Å; F119-I137 HydrophobicContact CE2-CD1 4.43Å; W126-I137 HydrophobicContact CE3-CD1 4.22Å; W126-I137 HydrophobicContact CE3-CG2 3.82Å; W126-I137 HydrophobicContact CZ3-CG2 3.96Å; I137-P139 WeakPolarHBondContact O-CD 3.38Å; I137-V142 HydrophobicContact CG2-CG2 3.83Å; I137-W234 HydrophobicContact CG2-CZ2 3.85Å; I137-W234 PolarHBondContact O-NE1 2.74Å
138	V	92.3	Very high	93.1	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.024	19%	0.187	C	C	.	.			trans	-88.9	119.6	-170.9	179.7	0	0	0	0	111	V131 I133 D136 A140 K141 V142 Y232	V131-V138 PolarHBondContact O-N 3.03Å; I133-V138 HydrophobicContact CB-CG2 3.99Å; I133-V138 HydrophobicContact CD1-CG2 3.74Å; I133-V138 HydrophobicContact CG1-CG2 3.74Å; D136-V138 HydrophobicContact CB-CG2 4.42Å; D136-V138 PolarHBondContact O-N 2.88Å; V138-A140 PolarHBondContact O-N 3.48Å; V138-K141 HydrophobicContact CB-CB 4.08Å; V138-K141 HydrophobicContact CB-CD 4.26Å; V138-K141 HydrophobicContact CB-CG 4.18Å; V138-K141 HydrophobicContact CG1-CB 4.33Å; V138-K141 HydrophobicContact CG1-CG 4.2Å; V138-K141 WeakPolarHBondContact O-CB 3.2Å; V138-K141 PolarHBondContact O-N 3.33Å; V138-K141 VanDerWaalsContact O-N 3.12Å; V138-V142 WeakPolarHBondContact O-CG2 3.48Å; V138-V142 PolarHBondContact O-N 2.94Å; V138-Y232 HydrophobicContact CG1-CD1 4.43Å
139	P	92.9	Very high	93.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.9	-44.1	-175.2	-21.2	26.7	0	0	0	114.8	I137 K141 V142 L143 P228 S230 W234	I137-P139 WeakPolarHBondContact O-CD 3.38Å; P139-K141 VanDerWaalsContact C-N 3.26Å; P139-K141 PolarHBondContact O-N 2.88Å; P139-V142 PolarHBondContact O-N 3.42Å; P139-L143 WeakPolarHBondContact O-CB 3.33Å; P139-L143 WeakPolarHBondContact O-CG 3.25Å; P139-L143 PolarHBondContact O-N 3.35Å; P139-P228 HydrophobicContact CB-CB 3.59Å; P139-S230 WeakPolarHBondContact CB-O 3.47Å; P139-W234 HydrophobicContact CG-CD2 4.13Å; P139-W234 HydrophobicContact CG-CG 4.01Å
140	A	91.8	Very high	93.4	Very high	15 Å²	15	26.6 Å²	26.6	12%	0.124	14%	0.141	C	C	.	.	H	α-helix	trans	-61.7	-36.4	178.7	0	0	0	0	0	112.6	L95 V138 L143 L144 N231	L95-A140 HydrophobicContact CD2-CB 3.51Å; V138-A140 PolarHBondContact O-N 3.48Å; A140-L143 PolarHBondContact O-N 2.97Å; A140-L144 WeakPolarHBondContact O-CB 3.41Å; A140-L144 PolarHBondContact O-N 2.87Å; A140-N231 HydrophobicContact CB-CB 4.14Å; A140-N231 WeakPolarHBondContact CB-O 3.32Å; A140-N231 PolarHBondContact N-O 3.29Å; A140-N231 VanDerWaalsContact N-O 3.07Å
141	K	93.4	Very high	93.5	Very high	26 Å²	26	28 Å²	28	11%	0.113	15%	0.146	C	C	.	.	H	α-helix	trans	-68.3	-46	177.1	-81.7	-164.7	170.7	-170.1	0	111	L95 T129 D130 N132 I133 V138 P139 L143 L144 V145	L95-K141 VanDerWaalsContact O-CE 3.27Å; L95-K141 WeakPolarHBondContact O-CE 3.3Å; T129-K141 PolarHBondContact O-NZ 2.83Å; D130-K141 VanDerWaalsContact O-CB 3.29Å; D130-K141 WeakPolarHBondContact O-CB 3.35Å; N132-K141 PolarHBondContact O-NZ 2.77Å; I133-K141 HydrophobicContact CD1-CD 4.19Å; I133-K141 HydrophobicContact CG1-CD 4.04Å; V138-K141 HydrophobicContact CB-CB 4.08Å; V138-K141 HydrophobicContact CB-CD 4.26Å; V138-K141 HydrophobicContact CB-CG 4.18Å; V138-K141 HydrophobicContact CG1-CB 4.33Å; V138-K141 HydrophobicContact CG1-CG 4.2Å; V138-K141 WeakPolarHBondContact O-CB 3.2Å; V138-K141 PolarHBondContact O-N 3.33Å; V138-K141 VanDerWaalsContact O-N 3.12Å; P139-K141 VanDerWaalsContact C-N 3.26Å; P139-K141 PolarHBondContact O-N 2.88Å; K141-L143 VanDerWaalsContact C-N 3.32Å; K141-L143 PolarHBondContact O-N 3.19Å; K141-L144 WeakPolarHBondContact O-CB 3.48Å; K141-L144 PolarHBondContact O-N 3.4Å; K141-L144 VanDerWaalsContact O-N 3.09Å; K141-V145 PolarHBondContact O-N 3.45Å; K141-V145 VanDerWaalsContact O-N 3.07Å
142	V	95.3	Very high	93.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-56.9	-45.1	172.7	177.8	0	0	0	0	111.4	F49 W126 V131 I137 V138 P139 L144 V145 F146 P189 W234	F49-V142 HydrophobicContact CE1-CG1 4.22Å; F49-V142 HydrophobicContact CZ-CG1 4.31Å; W126-V142 HydrophobicContact CZ3-CG1 4.49Å; W126-V142 HydrophobicContact CZ3-CG2 3.92Å; V131-V142 HydrophobicContact CB-CG2 3.98Å; V131-V142 HydrophobicContact CG1-CG2 3.93Å; I137-V142 HydrophobicContact CG2-CG2 3.83Å; V138-V142 WeakPolarHBondContact O-CG2 3.48Å; V138-V142 PolarHBondContact O-N 2.94Å; P139-V142 PolarHBondContact O-N 3.42Å; V142-L144 VanDerWaalsContact C-N 3.32Å; V142-L144 PolarHBondContact O-N 3.04Å; V142-V145 PolarHBondContact O-N 2.88Å; V142-F146 VanDerWaalsContact O-CB 3.31Å; V142-F146 WeakPolarHBondContact O-CB 2.93Å; V142-F146 PolarHBondContact O-N 3.07Å; V142-P189 HydrophobicContact CG1-CB 4.46Å; V142-W234 HydrophobicContact CG2-CZ2 4.28Å
143	L	94.7	Very high	93.8	Very high	11 Å²	11	29.4 Å²	29.4	6%	0.058	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-34.3	176.4	-77.9	172.9	0	0	0	113.2	P139 A140 K141 F146 R147 S170 V172 P228	P139-L143 WeakPolarHBondContact O-CB 3.33Å; P139-L143 WeakPolarHBondContact O-CG 3.25Å; P139-L143 PolarHBondContact O-N 3.35Å; A140-L143 PolarHBondContact O-N 2.97Å; K141-L143 VanDerWaalsContact C-N 3.32Å; K141-L143 PolarHBondContact O-N 3.19Å; L143-F146 PolarHBondContact O-N 2.94Å; L143-R147 WeakPolarHBondContact O-CB 3.29Å; L143-R147 PolarHBondContact O-N 3.06Å; L143-S170 WeakPolarHBondContact CD1-O 3.3Å; L143-V172 HydrophobicContact CD2-CG2 4.12Å; L143-P228 HydrophobicContact CD1-CB 3.96Å; L143-P228 HydrophobicContact CD1-CG 4.25Å; L143-P228 WeakPolarHBondContact CD1-O 3.38Å; L143-P228 HydrophobicContact CD2-CB 4.31Å; L143-P228 HydrophobicContact CD2-CG 3.75Å; L143-P228 HydrophobicContact CG-CB 3.84Å; L143-P228 HydrophobicContact CG-CG 3.86Å
144	L	93.6	Very high	94	Very high	93 Å²	93	29.5 Å²	29.5	49%	0.487	15%	0.154	S	C	.	.	H	α-helix	trans	-65.9	-45.5	177	-177	68.2	0	0	0	111.2	A140 K141 V142 K148	A140-L144 WeakPolarHBondContact O-CB 3.41Å; A140-L144 PolarHBondContact O-N 2.87Å; K141-L144 WeakPolarHBondContact O-CB 3.48Å; K141-L144 PolarHBondContact O-N 3.4Å; K141-L144 VanDerWaalsContact O-N 3.09Å; V142-L144 VanDerWaalsContact C-N 3.32Å; V142-L144 PolarHBondContact O-N 3.04Å; L144-K148 WeakPolarHBondContact O-CG 3.41Å; L144-K148 PolarHBondContact O-N 3.45Å
145	V	95.5	Very high	94.4	Very high	22 Å²	22	32.9 Å²	32.9	13%	0.133	16%	0.16	C	C	.	.	H	α-helix	trans	-60.1	-52.2	173.2	174.6	0	0	0	0	109.7	R48 F49 D130 V131 K141 V142 R147 K148 L149	R48-V145 VanDerWaalsContact NH2-CG1 3.35Å; F49-V145 HydrophobicContact CE2-CG1 4.12Å; F49-V145 HydrophobicContact CZ-CG1 4.38Å; D130-V145 HydrophobicContact CB-CG2 4.17Å; D130-V145 WeakPolarHBondContact OD2-CG2 3.31Å; V131-V145 HydrophobicContact CG1-CG2 3.99Å; K141-V145 PolarHBondContact O-N 3.45Å; K141-V145 VanDerWaalsContact O-N 3.07Å; V142-V145 PolarHBondContact O-N 2.88Å; V145-R147 VanDerWaalsContact C-N 3.32Å; V145-R147 PolarHBondContact O-N 3.25Å; V145-K148 WeakPolarHBondContact O-CB 3.28Å; V145-K148 PolarHBondContact O-N 3.24Å; V145-K148 VanDerWaalsContact O-N 3.14Å; V145-L149 HydrophobicContact CG1-CD1 3.99Å; V145-L149 HydrophobicContact CG1-CG 4.5Å; V145-L149 WeakPolarHBondContact O-CG 3.45Å; V145-L149 PolarHBondContact O-N 3.17Å
146	F	96.9	Very high	94.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-60.5	-40.4	-176.9	-174.2	-115.8	0	0	0	112.6	I42 F49 V74 V142 L143 K148 L149 V150 V172 L187 P189	I42-F146 HydrophobicContact CD1-CE2 4.18Å; I42-F146 HydrophobicContact CG2-CE2 4.27Å; F49-F146 AromaticContact CD1-CD2 3.44Å; F49-F146 HydrophobicContact CD1-CD2 3.44Å; F49-F146 VanDerWaalsContact CD1-CD2 3.44Å; F49-F146 AromaticContact CD1-CE2 3.9Å; F49-F146 HydrophobicContact CD1-CE2 3.9Å; F49-F146 HydrophobicContact CD1-CG 4.32Å; F49-F146 HydrophobicContact CD2-CD2 4.36Å; F49-F146 HydrophobicContact CE1-CB 3.86Å; F49-F146 AromaticContact CE1-CD2 3.49Å; F49-F146 HydrophobicContact CE1-CD2 3.49Å; F49-F146 VanDerWaalsContact CE1-CD2 3.49Å; F49-F146 HydrophobicContact CE1-CE2 4.36Å; F49-F146 AromaticContact CE1-CG 3.94Å; F49-F146 HydrophobicContact CE1-CG 3.94Å; F49-F146 HydrophobicContact CE2-CD2 4.41Å; F49-F146 AromaticContact CG-CD2 3.91Å; F49-F146 HydrophobicContact CG-CD2 3.91Å; F49-F146 HydrophobicContact CG-CE2 4.27Å; F49-F146 HydrophobicContact CZ-CB 3.87Å; F49-F146 AromaticContact CZ-CD2 3.99Å; F49-F146 HydrophobicContact CZ-CD2 3.99Å; F49-F146 HydrophobicContact CZ-CG 4.36Å; V74-F146 HydrophobicContact CB-CE2 4.49Å; V74-F146 HydrophobicContact CB-CZ 4.23Å; V74-F146 HydrophobicContact CG1-CE2 4.21Å; V74-F146 HydrophobicContact CG1-CZ 4.39Å; V74-F146 HydrophobicContact CG2-CZ 3.89Å; V142-F146 VanDerWaalsContact O-CB 3.31Å; V142-F146 WeakPolarHBondContact O-CB 2.93Å; V142-F146 PolarHBondContact O-N 3.07Å; L143-F146 PolarHBondContact O-N 2.94Å; F146-K148 PolarHBondContact O-N 2.91Å; F146-L149 WeakPolarHBondContact O-CB 3.25Å; F146-L149 PolarHBondContact O-N 3.46Å; F146-V150 HydrophobicContact CD1-CG2 4.25Å; F146-V150 HydrophobicContact CE1-CG2 3.87Å; F146-V150 HydrophobicContact CE2-CG2 4.17Å; F146-V150 HydrophobicContact CZ-CG2 3.81Å; F146-V150 WeakPolarHBondContact O-CG2 3.43Å; F146-V150 PolarHBondContact O-N 3.42Å; F146-V172 HydrophobicContact CD1-CB 4.19Å; F146-V172 HydrophobicContact CD1-CG1 4.41Å; F146-V172 HydrophobicContact CD1-CG2 3.92Å; F146-V172 HydrophobicContact CE1-CB 4.33Å; F146-V172 HydrophobicContact CE1-CG1 4.36Å; F146-L187 HydrophobicContact CE1-CB 3.68Å; F146-L187 HydrophobicContact CZ-CB 4.08Å; F146-P189 HydrophobicContact CB-CG 3.93Å; F146-P189 HydrophobicContact CD1-CG 3.38Å; F146-P189 HydrophobicContact CD2-CG 3.95Å; F146-P189 HydrophobicContact CE1-CG 3.8Å; F146-P189 HydrophobicContact CE2-CG 4.32Å; F146-P189 HydrophobicContact CG-CG 3.47Å; F146-P189 VanDerWaalsContact CG-CG 3.47Å; F146-P189 HydrophobicContact CZ-CG 4.26Å
147	R	95.8	Very high	94.8	Very high	45 Å²	45	35.8 Å²	35.8	17%	0.17	17%	0.173	C	C	.	.	H	α-helix	trans	-57.4	-46.9	175.1	-175.9	179.8	-60.1	-82.4	-2.6	112	L143 V145 L149 V150 E151 M165 R169 S170 A171 V172	L143-R147 WeakPolarHBondContact O-CB 3.29Å; L143-R147 PolarHBondContact O-N 3.06Å; V145-R147 VanDerWaalsContact C-N 3.32Å; V145-R147 PolarHBondContact O-N 3.25Å; R147-L149 VanDerWaalsContact C-N 3.31Å; R147-L149 PolarHBondContact O-N 3.18Å; R147-V150 PolarHBondContact O-N 3.32Å; R147-E151 WeakPolarHBondContact CG-OE1 3.29Å; R147-E151 WeakPolarHBondContact O-CG 3.37Å; R147-E151 PolarHBondContact O-N 2.78Å; R147-M165 HydrophobicContact CG-CE 3.74Å; R147-R169 PolarHBondContact NH2-O 3.09Å; R147-S170 PolarHBondContact NH2-O 3.24Å; R147-A171 PolarHBondContact NH2-O 2.95Å; R147-V172 HydrophobicContact CB-CG2 3.85Å; R147-V172 HydrophobicContact CG-CG2 4.43Å
148	K	95.6	Very high	94.7	Very high	119 Å²	119	43.9 Å²	43.9	52%	0.517	21%	0.21	S	C	.	.	H	α-helix	trans	-62.2	-40.1	177.5	-69.2	174.2	-178.9	179.2	0	111.4	L144 V145 F146 E151 N152	L144-K148 WeakPolarHBondContact O-CG 3.41Å; L144-K148 PolarHBondContact O-N 3.45Å; V145-K148 WeakPolarHBondContact O-CB 3.28Å; V145-K148 PolarHBondContact O-N 3.24Å; V145-K148 VanDerWaalsContact O-N 3.14Å; F146-K148 PolarHBondContact O-N 2.91Å; K148-E151 PolarHBondContact O-N 3.37Å; K148-N152 WeakPolarHBondContact O-CB 3.5Å; K148-N152 PolarHBondContact O-N 2.82Å; K148-N152 PolarHBondContact O-ND2 3.13Å; K148-N152 PolarHBondContact O-OD1 3.27Å
149	L	97.3	Very high	94.7	Very high	16 Å²	16	44.9 Å²	44.9	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-64.7	-41.7	176.8	-67.7	169.9	0	0	0	111.9	I42 Q45 D46 F49 V145 F146 R147 N152 A153	I42-L149 HydrophobicContact CG1-CB 4.3Å; I42-L149 HydrophobicContact CG2-CB 4.1Å; I42-L149 HydrophobicContact CG2-CD1 4.19Å; Q45-L149 HydrophobicContact CB-CD2 3.86Å; D46-L149 HydrophobicContact CB-CD1 3.59Å; D46-L149 HydrophobicContact CB-CD2 4.05Å; D46-L149 HydrophobicContact CB-CG 4.5Å; F49-L149 HydrophobicContact CD2-CD1 3.5Å; F49-L149 HydrophobicContact CE2-CD1 3.38Å; F49-L149 HydrophobicContact CZ-CD1 4.37Å; V145-L149 HydrophobicContact CG1-CD1 3.99Å; V145-L149 HydrophobicContact CG1-CG 4.5Å; V145-L149 WeakPolarHBondContact O-CG 3.45Å; V145-L149 PolarHBondContact O-N 3.17Å; F146-L149 WeakPolarHBondContact O-CB 3.25Å; F146-L149 PolarHBondContact O-N 3.46Å; R147-L149 VanDerWaalsContact C-N 3.31Å; R147-L149 PolarHBondContact O-N 3.18Å; L149-N152 PolarHBondContact O-N 3.03Å; L149-A153 VanDerWaalsContact O-CB 3.28Å; L149-A153 WeakPolarHBondContact O-CB 3.39Å; L149-A153 PolarHBondContact O-N 3.37Å
150	V	96.8	Very high	94.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-64	-46.1	175.2	175.1	0	0	0	0	110.9	I42 F146 R147 N152 A153 I154 M165 V172 I174 L187	I42-V150 HydrophobicContact CD1-CB 4.46Å; I42-V150 HydrophobicContact CD1-CG2 3.66Å; F146-V150 HydrophobicContact CD1-CG2 4.25Å; F146-V150 HydrophobicContact CE1-CG2 3.87Å; F146-V150 HydrophobicContact CE2-CG2 4.17Å; F146-V150 HydrophobicContact CZ-CG2 3.81Å; F146-V150 WeakPolarHBondContact O-CG2 3.43Å; F146-V150 PolarHBondContact O-N 3.42Å; R147-V150 PolarHBondContact O-N 3.32Å; V150-N152 VanDerWaalsContact C-N 3.32Å; V150-N152 PolarHBondContact O-N 3.45Å; V150-A153 PolarHBondContact O-N 2.81Å; V150-I154 HydrophobicContact CG1-CD1 3.94Å; V150-I154 HydrophobicContact CG1-CG1 4.46Å; V150-I154 VanDerWaalsContact O-CG1 3.3Å; V150-I154 WeakPolarHBondContact O-CG1 3.22Å; V150-I154 PolarHBondContact O-N 2.85Å; V150-M165 HydrophobicContact CB-SD 4.37Å; V150-M165 HydrophobicContact CG1-SD 3.61Å; V150-V172 HydrophobicContact CB-CG1 4.38Å; V150-V172 HydrophobicContact CG1-CG1 4.41Å; V150-V172 HydrophobicContact CG2-CG1 4.14Å; V150-I174 HydrophobicContact CG1-CG2 3.92Å; V150-L187 HydrophobicContact CG1-CD1 4.05Å; V150-L187 HydrophobicContact CG2-CD1 3.93Å
151	E	95.4	Very high	94.1	Very high	82 Å²	82	51.7 Å²	51.7	38%	0.383	28%	0.275	S	S	.	.	H	α-helix	trans	-58	-43.8	175.2	-79.2	168.5	-163.6	0	0	112.1	R147 K148 R155 M165	R147-E151 WeakPolarHBondContact CG-OE1 3.29Å; R147-E151 WeakPolarHBondContact O-CG 3.37Å; R147-E151 PolarHBondContact O-N 2.78Å; K148-E151 PolarHBondContact O-N 3.37Å; E151-R155 WeakPolarHBondContact O-CG 3.31Å; E151-R155 PolarHBondContact O-N 3.47Å; E151-M165 HydrophobicContact CG-CE 4.01Å; E151-M165 HydrophobicContact CG-CG 3.74Å; E151-M165 HydrophobicContact CG-SD 4.14Å
152	N	95.9	Very high	94	Very high	49 Å²	49	53.9 Å²	53.9	26%	0.262	28%	0.284	S	S	.	.	H	α-helix	trans	-63.6	-48	174.9	-71.5	-12.7	0	0	0	111.6	K148 L149 V150 I154 R155 T156	K148-N152 WeakPolarHBondContact O-CB 3.5Å; K148-N152 PolarHBondContact O-N 2.82Å; K148-N152 PolarHBondContact O-ND2 3.13Å; K148-N152 PolarHBondContact O-OD1 3.27Å; L149-N152 PolarHBondContact O-N 3.03Å; V150-N152 VanDerWaalsContact C-N 3.32Å; V150-N152 PolarHBondContact O-N 3.45Å; N152-I154 VanDerWaalsContact C-N 3.33Å; N152-I154 PolarHBondContact O-N 2.9Å; N152-R155 PolarHBondContact O-N 3.26Å; N152-R155 VanDerWaalsContact O-N 3.13Å; N152-R155 PolarHBondContact OD1-NH2 3.36Å; N152-T156 PolarHBondContact O-N 2.75Å; N152-T156 PolarHBondContact O-OG1 2.92Å
153	A	96.6	Very high	94	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.8	-40.6	-179.5	0	0	0	0	0	112	L38 N41 I42 L149 V150 R155 T156 C157	L38-A153 HydrophobicContact CD2-CB 4Å; N41-A153 HydrophobicContact CB-CB 4.19Å; I42-A153 HydrophobicContact CD1-CB 4.36Å; I42-A153 HydrophobicContact CG1-CB 3.76Å; L149-A153 VanDerWaalsContact O-CB 3.28Å; L149-A153 WeakPolarHBondContact O-CB 3.39Å; L149-A153 PolarHBondContact O-N 3.37Å; V150-A153 PolarHBondContact O-N 2.81Å; A153-R155 VanDerWaalsContact C-N 3.27Å; A153-R155 PolarHBondContact O-N 2.83Å; A153-T156 PolarHBondContact O-N 2.91Å; A153-C157 WeakPolarHBondContact O-CB 3.42Å; A153-C157 PolarHBondContact O-N 3.04Å; A153-C157 PolarHBondContact O-SG 3.09Å
154	I	96.1	Very high	94	Very high	11 Å²	11	56.1 Å²	56.1	6%	0.056	30%	0.301	C	S	.	.	H	α-helix	trans	-58.1	-40.9	176	-69.7	164.8	0	0	0	111.3	L38 V150 N152 L159 V163 M165 I174	L38-I154 HydrophobicContact CD2-CG1 3.86Å; V150-I154 HydrophobicContact CG1-CD1 3.94Å; V150-I154 HydrophobicContact CG1-CG1 4.46Å; V150-I154 VanDerWaalsContact O-CG1 3.3Å; V150-I154 WeakPolarHBondContact O-CG1 3.22Å; V150-I154 PolarHBondContact O-N 2.85Å; N152-I154 VanDerWaalsContact C-N 3.33Å; N152-I154 PolarHBondContact O-N 2.9Å; I154-L159 PolarHBondContact O-N 3.37Å; I154-V163 HydrophobicContact CD1-CG1 3.86Å; I154-V163 HydrophobicContact CG1-CB 4.44Å; I154-V163 HydrophobicContact CG1-CG1 3.97Å; I154-M165 HydrophobicContact CD1-CG 3.75Å; I154-M165 HydrophobicContact CD1-SD 3.87Å; I154-I174 HydrophobicContact CD1-CG2 4.24Å
155	R	94.7	Very high	94	Very high	159 Å²	159	54.1 Å²	54.1	60%	0.6	29%	0.29	S	S	*	.	H	α-helix	trans	-71.3	-49.5	177.8	-64.5	-176.3	-60.4	173.5	3.8	111.9	E151 N152 A153 C157 H158	E151-R155 WeakPolarHBondContact O-CG 3.31Å; E151-R155 PolarHBondContact O-N 3.47Å; N152-R155 PolarHBondContact O-N 3.26Å; N152-R155 VanDerWaalsContact O-N 3.13Å; N152-R155 PolarHBondContact OD1-NH2 3.36Å; A153-R155 VanDerWaalsContact C-N 3.27Å; A153-R155 PolarHBondContact O-N 2.83Å; R155-C157 VanDerWaalsContact C-N 3.34Å; R155-C157 PolarHBondContact O-N 3.08Å; R155-H158 PolarHBondContact O-N 2.78Å; R155-H158 VanDerWaalsContact O-N 3.14Å
156	T	94.1	Very high	93.8	Very high	81 Å²	81	54.9 Å²	54.9	50%	0.497	29%	0.293	S	S	.	.	H	α-helix	trans	-65.9	-35.8	-176.6	-55.2	0	0	0	0	112.3	N152 A153 H158	N152-T156 PolarHBondContact O-N 2.75Å; N152-T156 PolarHBondContact O-OG1 2.92Å; A153-T156 PolarHBondContact O-N 2.91Å; T156-H158 PolarHBondContact O-N 2.96Å
157	C	92.2	Very high	93.1	Very high	16 Å²	16	57.6 Å²	57.6	11%	0.108	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	3.4	176.8	-68.4	0	0	0	0	113.6	H37 N41 A153 R155 L159	H37-C157 VanDerWaalsContact CD2-CB 3.46Å; H37-C157 WeakPolarHBondContact CD2-CB 3.41Å; H37-C157 PolarHBondContact CD2-SG 3.15Å; H37-C157 VanDerWaalsContact NE2-CB 3.32Å; H37-C157 WeakPolarHBondContact NE2-CB 3.43Å; H37-C157 PolarHBondContact NE2-SG 3.26Å; N41-C157 VanDerWaalsContact CB-SG 3.56Å; A153-C157 WeakPolarHBondContact O-CB 3.42Å; A153-C157 PolarHBondContact O-N 3.04Å; A153-C157 PolarHBondContact O-SG 3.09Å; R155-C157 VanDerWaalsContact C-N 3.34Å; R155-C157 PolarHBondContact O-N 3.08Å; C157-L159 HydrophobicContact CB-CD1 3.87Å; C157-L159 HydrophobicContact CB-CG 3.82Å; C157-L159 PolarHBondContact O-N 2.89Å
158	H	92.4	Very high	91.7	Very high	172 Å²	172	64 Å²	64	80%	0.796	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	32.6	-175.2	-56.3	-67.9	0	0	0	113.8	R155 T156	R155-H158 PolarHBondContact O-N 2.78Å; R155-H158 VanDerWaalsContact O-N 3.14Å; T156-H158 PolarHBondContact O-N 2.96Å
159	L	91.2	Very high	90.6	Very high	26 Å²	26	60.5 Å²	60.5	14%	0.136	34%	0.342	C	S	.	.			trans	-91.8	2.1	-177	-71.3	177.8	0	0	0	113.5	V34 L38 I154 C157 G161 K162 V163	V34-L159 HydrophobicContact CG1-CD1 4.43Å; L38-L159 HydrophobicContact CD1-CD1 4.49Å; L38-L159 HydrophobicContact CD2-CD1 3.66Å; L38-L159 HydrophobicContact CG-CD1 3.81Å; I154-L159 PolarHBondContact O-N 3.37Å; C157-L159 HydrophobicContact CB-CD1 3.87Å; C157-L159 HydrophobicContact CB-CG 3.82Å; C157-L159 PolarHBondContact O-N 2.89Å; L159-G161 PolarHBondContact O-N 2.86Å; L159-K162 CarbonylContact O-C 3.55Å; L159-K162 PolarHBondContact O-N 3.2Å; L159-V163 HydrophobicContact CB-CB 4.24Å; L159-V163 HydrophobicContact CB-CG2 4.05Å; L159-V163 HydrophobicContact CD1-CG2 4.29Å; L159-V163 PolarHBondContact O-N 3.27Å
160	S	85.3	Confident	89.6	Confident	78 Å²	78	63.6 Å²	63.6	55%	0.545	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.2	-173.4	-53.3	0	0	0	0	115.4
161	G	86.5	Confident	89.2	Confident	80 Å²	80	64.4 Å²	64.4	83%	0.825	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-18.6	173.3	0	0	0	0	0	114.6	L159	L159-G161 PolarHBondContact O-N 2.86Å
162	K	91.5	Very high	89.1	Confident	72 Å²	72	60.5 Å²	60.5	31%	0.313	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	-28.9	-178.2	-171.4	171.9	-171	173.1	0	112.7	E30 V34 L159 V176 E177	E30-K162 IonicContact OE2-NZ 2.89Å; E30-K162 PolarHBondContact OE2-NZ 2.89Å; V34-K162 HydrophobicContact CG2-CD 4.24Å; L159-K162 CarbonylContact O-C 3.55Å; L159-K162 PolarHBondContact O-N 3.2Å; K162-V176 WeakPolarHBondContact O-CA 3.32Å; K162-E177 WeakPolarHBondContact CE-O 3.35Å; K162-E177 WeakPolarHBondContact CG-O 3.17Å; K162-E177 PolarHBondContact O-N 3.23Å
163	V	95.5	Very high	89	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.012	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.5	-173.9	-174.4	0	0	0	0	109.7	V34 L38 I154 L159 I174 A175 V176	V34-V163 HydrophobicContact CG1-CG2 3.6Å; L38-V163 HydrophobicContact CD1-CG1 4.39Å; I154-V163 HydrophobicContact CD1-CG1 3.86Å; I154-V163 HydrophobicContact CG1-CB 4.44Å; I154-V163 HydrophobicContact CG1-CG1 3.97Å; L159-V163 HydrophobicContact CB-CB 4.24Å; L159-V163 HydrophobicContact CB-CG2 4.05Å; L159-V163 HydrophobicContact CD1-CG2 4.29Å; L159-V163 PolarHBondContact O-N 3.27Å; V163-I174 HydrophobicContact CG1-CB 4.02Å; V163-I174 HydrophobicContact CG1-CD1 3.83Å; V163-I174 HydrophobicContact CG1-CG1 4.41Å; V163-I174 HydrophobicContact CG1-CG2 4.43Å; V163-A175 CarbonylContact C-O 3.47Å; V163-A175 VanDerWaalsContact CA-O 3.28Å; V163-A175 WeakPolarHBondContact CA-O 3.5Å; V163-V176 HydrophobicContact CG1-CG2 4.35Å; V163-V176 HydrophobicContact CG2-CG1 4.46Å; V163-V176 HydrophobicContact CG2-CG2 4.18Å
164	S	94.8	Very high	89	Confident	56 Å²	56	59.3 Å²	59.3	39%	0.392	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	147.2	176.4	66.9	0	0	0	0	111.5	I174 A175	S164-I174 CarbonylContact O-C 3.58Å; S164-I174 WeakPolarHBondContact O-CA 3.42Å; S164-I174 WeakPolarHBondContact O-CB 3.45Å; S164-A175 PolarHBondContact N-O 3.43Å; S164-A175 PolarHBondContact O-N 2.92Å
165	M	94.1	Very high	89	Confident	51 Å²	51	58.8 Å²	58.8	25%	0.251	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	132.1	175.7	-76	-69.4	-62.9	0	0	110.4	R147 V150 E151 I154 V172 I174	R147-M165 HydrophobicContact CG-CE 3.74Å; V150-M165 HydrophobicContact CB-SD 4.37Å; V150-M165 HydrophobicContact CG1-SD 3.61Å; E151-M165 HydrophobicContact CG-CE 4.01Å; E151-M165 HydrophobicContact CG-CG 3.74Å; E151-M165 HydrophobicContact CG-SD 4.14Å; I154-M165 HydrophobicContact CD1-CG 3.75Å; I154-M165 HydrophobicContact CD1-SD 3.87Å; M165-V172 HydrophobicContact CE-CG1 4.19Å; M165-I174 HydrophobicContact SD-CG2 3.52Å; M165-I174 VanDerWaalsContact SD-CG2 3.52Å
166	L	91.1	Very high	89.1	Confident	38 Å²	38	51.2 Å²	51.2	20%	0.199	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	112.4	173	-61.7	178.1	0	0	0	109.4	W173 A175 E184	L166-W173 HydrophobicContact CB-CB 3.79Å; L166-W173 HydrophobicContact CD1-CB 4.11Å; L166-W173 HydrophobicContact CG-CB 4.44Å; L166-W173 PolarHBondContact N-O 3.46Å; L166-A175 HydrophobicContact CD1-CB 4.22Å; L166-A175 HydrophobicContact CD2-CB 4.01Å; L166-A175 HydrophobicContact CG-CB 4.18Å; L166-E184 HydrophobicContact CD1-CB 4.22Å; L166-E184 HydrophobicContact CD1-CG 3.91Å
167	G	81.3	Confident	89.1	Confident	56 Å²	56	51.4 Å²	51.4	58%	0.577	31%	0.309	S	S	*	.			trans	-73.6	171.9	-179	0	0	0	0	0	114.8	R169	G167-R169 PolarHBondContact O-N 2.83Å
168	N	66.7	Low	89.1	Confident	179 Å²	179	51.3 Å²	51.3	96%	0.957	31%	0.308	S	S	*	.	S	Bend	trans	60.1	31.1	170.6	-63	-16.6	0	0	0	116.5
169	R	72.6	Confident	89	Confident	47 Å²	47	47.1 Å²	47.1	18%	0.177	30%	0.298	C	S	.	.			trans	-123.8	142.2	172.8	-59	-173.7	-170.9	-160.9	10.4	109.7	R147 G167 A171 E184 R276	R147-R169 PolarHBondContact NH2-O 3.09Å; G167-R169 PolarHBondContact O-N 2.83Å; R169-A171 VanDerWaalsContact C-N 3.31Å; R169-A171 CarbonylContact C-O 3.54Å; R169-A171 PolarHBondContact O-N 3Å; R169-A171 VanDerWaalsContact O-O 3.1Å; R169-E184 IonicContact CZ-OE2 3.31Å; R169-E184 IonicContact NH1-OE2 3.48Å; R169-E184 PolarHBondContact NH1-OE2 3.46Å; R169-E184 IonicContact NH2-OE1 3.02Å; R169-E184 PolarHBondContact NH2-OE1 3.34Å; R169-E184 IonicContact NH2-OE2 2.75Å; R169-E184 PolarHBondContact NH2-OE2 2.99Å; R169-R276 VanDerWaalsContact CZ-NH2 3.28Å
170	S	76.3	Confident	88.7	Confident	81 Å²	81	48.2 Å²	48.2	57%	0.566	31%	0.31	S	S	*	.	S	Bend	trans	-60.8	-42.2	176	-57.3	0	0	0	0	111.3	L143 R147	L143-S170 WeakPolarHBondContact CD1-O 3.3Å; R147-S170 PolarHBondContact NH2-O 3.24Å
171	A	88.1	Confident	88.9	Confident	17 Å²	17	47.2 Å²	47.2	14%	0.14	30%	0.295	C	S	.	.	S	Bend	trans	-76.7	163.6	172.1	0	0	0	0	0	112.7	R147 R169 E186	R147-A171 PolarHBondContact NH2-O 2.95Å; R169-A171 VanDerWaalsContact C-N 3.31Å; R169-A171 CarbonylContact C-O 3.54Å; R169-A171 PolarHBondContact O-N 3Å; R169-A171 VanDerWaalsContact O-O 3.1Å; A171-E186 HydrophobicContact CB-CG 4.15Å; A171-E186 WeakPolarHBondContact CB-OE1 3.34Å
172	V	94	Very high	89.3	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	112.4	176.2	177.2	0	0	0	0	109.3	L143 F146 R147 V150 M165 L187	L143-V172 HydrophobicContact CD2-CG2 4.12Å; F146-V172 HydrophobicContact CD1-CB 4.19Å; F146-V172 HydrophobicContact CD1-CG1 4.41Å; F146-V172 HydrophobicContact CD1-CG2 3.92Å; F146-V172 HydrophobicContact CE1-CB 4.33Å; F146-V172 HydrophobicContact CE1-CG1 4.36Å; R147-V172 HydrophobicContact CB-CG2 3.85Å; R147-V172 HydrophobicContact CG-CG2 4.43Å; V150-V172 HydrophobicContact CB-CG1 4.38Å; V150-V172 HydrophobicContact CG1-CG1 4.41Å; V150-V172 HydrophobicContact CG2-CG1 4.14Å; M165-V172 HydrophobicContact CE-CG1 4.19Å; V172-L187 HydrophobicContact CG1-CB 4.33Å; V172-L187 PolarHBondContact O-N 2.72Å
173	W	94.6	Very high	89.4	Confident	24 Å²	24	44.4 Å²	44.4	9%	0.091	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.9	-179.6	-77	79.8	0	0	0	110.6	L166 E184 L185 E186	L166-W173 HydrophobicContact CB-CB 3.79Å; L166-W173 HydrophobicContact CD1-CB 4.11Å; L166-W173 HydrophobicContact CG-CB 4.44Å; L166-W173 PolarHBondContact N-O 3.46Å; W173-E184 HydrophobicContact CE3-CB 3.89Å; W173-E184 HydrophobicContact CZ3-CB 3.81Å; W173-L185 CarbonylContact C-O 3.52Å; W173-L185 VanDerWaalsContact CA-O 3.28Å; W173-L185 WeakPolarHBondContact CA-O 3.33Å; W173-E186 HydrophobicContact CD2-CB 3.94Å; W173-E186 HydrophobicContact CD2-CG 4.37Å; W173-E186 HydrophobicContact CE3-CB 4.13Å; W173-E186 HydrophobicContact CH2-CB 3.86Å; W173-E186 HydrophobicContact CZ2-CB 3.64Å; W173-E186 HydrophobicContact CZ2-CG 3.98Å; W173-E186 VanDerWaalsContact CZ2-OE2 3.23Å; W173-E186 WeakPolarHBondContact CZ2-OE2 3.35Å; W173-E186 HydrophobicContact CZ3-CB 4.09Å
174	I	96.1	Very high	89.4	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	149.2	172.3	61.3	172	0	0	0	110	L38 V150 I154 V163 S164 M165 V176 E184 L185 L187	L38-I174 HydrophobicContact CD1-CD1 3.84Å; V150-I174 HydrophobicContact CG1-CG2 3.92Å; I154-I174 HydrophobicContact CD1-CG2 4.24Å; V163-I174 HydrophobicContact CG1-CB 4.02Å; V163-I174 HydrophobicContact CG1-CD1 3.83Å; V163-I174 HydrophobicContact CG1-CG1 4.41Å; V163-I174 HydrophobicContact CG1-CG2 4.43Å; S164-I174 CarbonylContact O-C 3.58Å; S164-I174 WeakPolarHBondContact O-CA 3.42Å; S164-I174 WeakPolarHBondContact O-CB 3.45Å; M165-I174 HydrophobicContact SD-CG2 3.52Å; M165-I174 VanDerWaalsContact SD-CG2 3.52Å; I174-V176 HydrophobicContact CD1-CG2 4.02Å; I174-V176 HydrophobicContact CG1-CG2 4.3Å; I174-E184 CarbonylContact O-C 3.58Å; I174-E184 WeakPolarHBondContact O-CA 3.23Å; I174-L185 HydrophobicContact CD1-CB 4.36Å; I174-L185 HydrophobicContact CD1-CD1 3.95Å; I174-L185 HydrophobicContact CG1-CB 3.75Å; I174-L185 HydrophobicContact CG1-CD1 4.17Å; I174-L185 HydrophobicContact CG1-CG 4.27Å; I174-L185 PolarHBondContact N-O 3.34Å; I174-L185 PolarHBondContact O-N 2.95Å; I174-L187 HydrophobicContact CD1-CD1 3.89Å; I174-L187 HydrophobicContact CD1-CD2 4.36Å; I174-L187 HydrophobicContact CD1-CG 4.24Å; I174-L187 HydrophobicContact CG1-CD1 4.33Å; I174-L187 HydrophobicContact CG1-CG 4.31Å; I174-L187 HydrophobicContact CG2-CD1 4.45Å
175	A	96	Very high	89.4	Confident	0 Å²	0	43 Å²	43	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.5	165.8	0	0	0	0	0	108.9	V163 S164 L166 Q182 V183	V163-A175 CarbonylContact C-O 3.47Å; V163-A175 VanDerWaalsContact CA-O 3.28Å; V163-A175 WeakPolarHBondContact CA-O 3.5Å; S164-A175 PolarHBondContact N-O 3.43Å; S164-A175 PolarHBondContact O-N 2.92Å; L166-A175 HydrophobicContact CD1-CB 4.22Å; L166-A175 HydrophobicContact CD2-CB 4.01Å; L166-A175 HydrophobicContact CG-CB 4.18Å; A175-Q182 HydrophobicContact CB-CG 4.15Å; A175-V183 CarbonylContact C-O 3.57Å; A175-V183 WeakPolarHBondContact CA-O 3.18Å
176	V	96.4	Very high	89.5	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	121.4	179	-177.9	0	0	0	0	108.7	V34 K162 V163 I174 T178 V183 L185	V34-V176 HydrophobicContact CB-CG1 4.46Å; V34-V176 HydrophobicContact CG1-CG1 4.3Å; V34-V176 HydrophobicContact CG1-CG2 4.18Å; V34-V176 HydrophobicContact CG2-CG1 4.09Å; K162-V176 WeakPolarHBondContact O-CA 3.32Å; V163-V176 HydrophobicContact CG1-CG2 4.35Å; V163-V176 HydrophobicContact CG2-CG1 4.46Å; V163-V176 HydrophobicContact CG2-CG2 4.18Å; I174-V176 HydrophobicContact CD1-CG2 4.02Å; I174-V176 HydrophobicContact CG1-CG2 4.3Å; V176-T178 HydrophobicContact CG1-CG2 4.47Å; V176-T178 PolarHBondContact O-N 2.68Å; V176-V183 PolarHBondContact N-O 3.24Å; V176-V183 PolarHBondContact O-N 2.91Å; V176-L185 HydrophobicContact CB-CD1 4.47Å; V176-L185 HydrophobicContact CG2-CD1 3.49Å; V176-L185 VanDerWaalsContact CG2-CD1 3.49Å; V176-L185 HydrophobicContact CG2-CG 4.03Å
177	E	95.5	Very high	89.7	Confident	84 Å²	84	40.6 Å²	40.6	39%	0.393	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	112.4	170.9	-62.6	-57.6	156.7	0	0	109.2	K162 Q182	K162-E177 WeakPolarHBondContact CE-O 3.35Å; K162-E177 WeakPolarHBondContact CG-O 3.17Å; K162-E177 PolarHBondContact O-N 3.23Å; E177-Q182 WeakPolarHBondContact OE1-CG 3.42Å; E177-Q182 PolarHBondContact OE1-NE2 3.01Å
178	T	92.3	Very high	90.4	Very high	15 Å²	15	38.2 Å²	38.2	9%	0.092	21%	0.211	C	C	.	.			trans	-98	169.5	171.4	75.4	0	0	0	0	110.2	A27 E30 V31 V176 A180 Y181 V183	A27-T178 HydrophobicContact CB-CG2 4.37Å; E30-T178 HydrophobicContact CB-CG2 4.35Å; V31-T178 HydrophobicContact CG2-CG2 4.33Å; V176-T178 HydrophobicContact CG1-CG2 4.47Å; V176-T178 PolarHBondContact O-N 2.68Å; T178-A180 PolarHBondContact O-N 3.26Å; T178-A180 PolarHBondContact OG1-N 3.25Å; T178-Y181 WeakPolarHBondContact CB-O 3.48Å; T178-Y181 PolarHBondContact N-O 2.97Å; T178-Y181 PolarHBondContact OG1-N 3.48Å; T178-Y181 VanDerWaalsContact OG1-N 3.14Å; T178-Y181 PolarHBondContact OG1-O 3.35Å; T178-V183 HydrophobicContact CG2-CB 4.47Å; T178-V183 HydrophobicContact CG2-CG2 3.91Å
179	S	89.1	Confident	91.9	Very high	84 Å²	84	29.7 Å²	29.7	59%	0.587	17%	0.165	S	C	*	.	S	Bend	trans	-59.9	-25	174	57.9	0	0	0	0	113.8	Q26 E30	Q26-S179 PolarHBondContact NE2-OG 2.6Å; E30-S179 WeakPolarHBondContact OE1-CB 3.41Å; E30-S179 PolarHBondContact OE1-N 3.07Å; E30-S179 PolarHBondContact OE1-OG 2.76Å
180	A	85.3	Confident	93	Very high	48 Å²	48	27.5 Å²	27.5	40%	0.397	16%	0.157	S	C	.	.	S	Bend	trans	-95.8	-50.2	-176.4	0	0	0	0	0	112.6	T178	T178-A180 PolarHBondContact O-N 3.26Å; T178-A180 PolarHBondContact OG1-N 3.25Å
181	Y	90	Very high	93.9	Very high	57 Å²	57	23.7 Å²	23.7	22%	0.224	13%	0.13	C	C	.	.			trans	-164.4	164.8	-177.4	52.4	-85.3	0	0	0	111.7	Q23 A27 P67 T178 V183	Q23-Y181 HydrophobicContact CB-CE1 4.38Å; Q23-Y181 PolarHBondContact O-OH 3.18Å; A27-Y181 HydrophobicContact CB-CE1 4.29Å; A27-Y181 WeakPolarHBondContact CB-OH 3.49Å; P67-Y181 WeakPolarHBondContact O-CE2 3.35Å; P67-Y181 PolarHBondContact O-OH 3.08Å; P67-Y181 VanDerWaalsContact O-OH 3.05Å; T178-Y181 WeakPolarHBondContact CB-O 3.48Å; T178-Y181 PolarHBondContact N-O 2.97Å; T178-Y181 PolarHBondContact OG1-N 3.48Å; T178-Y181 VanDerWaalsContact OG1-N 3.14Å; T178-Y181 PolarHBondContact OG1-O 3.35Å; Y181-V183 HydrophobicContact CD2-CG2 3.86Å; Y181-V183 HydrophobicContact CE2-CG2 3.58Å
182	Q	93.6	Very high	94.3	Very high	94 Å²	94	26.5 Å²	26.5	44%	0.439	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	132.7	172.8	-171.2	-175.7	66.9	0	0	111.1	A175 E177	A175-Q182 HydrophobicContact CB-CG 4.15Å; E177-Q182 WeakPolarHBondContact OE1-CG 3.42Å; E177-Q182 PolarHBondContact OE1-NE2 3.01Å
183	V	94.8	Very high	94.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	133.9	179.9	173.9	0	0	0	0	110.4	A27 V31 F70 A175 V176 T178 Y181 L185	A27-V183 HydrophobicContact CB-CG2 4.3Å; V31-V183 HydrophobicContact CG2-CB 4.49Å; V31-V183 HydrophobicContact CG2-CG1 4.2Å; F70-V183 HydrophobicContact CD2-CG1 3.18Å; F70-V183 HydrophobicContact CE2-CB 4.35Å; F70-V183 HydrophobicContact CE2-CG1 3.26Å; F70-V183 HydrophobicContact CE2-CG2 4.11Å; F70-V183 HydrophobicContact CG-CG1 4.38Å; F70-V183 HydrophobicContact CZ-CG1 4.47Å; A175-V183 CarbonylContact C-O 3.57Å; A175-V183 WeakPolarHBondContact CA-O 3.18Å; V176-V183 PolarHBondContact N-O 3.24Å; V176-V183 PolarHBondContact O-N 2.91Å; T178-V183 HydrophobicContact CG2-CB 4.47Å; T178-V183 HydrophobicContact CG2-CG2 3.91Å; Y181-V183 HydrophobicContact CD2-CG2 3.86Å; Y181-V183 HydrophobicContact CE2-CG2 3.58Å; V183-L185 HydrophobicContact CG1-CD2 3.59Å; V183-L185 HydrophobicContact CG1-CG 4.34Å
184	E	94.9	Very high	94.3	Very high	28 Å²	28	29.4 Å²	29.4	13%	0.131	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	129.1	168.9	-54.7	-170.4	167.8	0	0	110.6	S68 Q69 F70 L166 R169 W173 I174	S68-E184 PolarHBondContact O-N 3.26Å; Q69-E184 VanDerWaalsContact CA-O 3.3Å; Q69-E184 WeakPolarHBondContact CA-O 2.89Å; Q69-E184 HydrophobicContact CG-CB 4.3Å; Q69-E184 PolarHBondContact NE2-OE2 2.9Å; Q69-E184 VanDerWaalsContact NE2-OE2 3.16Å; F70-E184 PolarHBondContact N-O 2.74Å; L166-E184 HydrophobicContact CD1-CB 4.22Å; L166-E184 HydrophobicContact CD1-CG 3.91Å; R169-E184 IonicContact CZ-OE2 3.31Å; R169-E184 IonicContact NH1-OE2 3.48Å; R169-E184 PolarHBondContact NH1-OE2 3.46Å; R169-E184 IonicContact NH2-OE1 3.02Å; R169-E184 PolarHBondContact NH2-OE1 3.34Å; R169-E184 IonicContact NH2-OE2 2.75Å; R169-E184 PolarHBondContact NH2-OE2 2.99Å; W173-E184 HydrophobicContact CE3-CB 3.89Å; W173-E184 HydrophobicContact CZ3-CB 3.81Å; I174-E184 CarbonylContact O-C 3.58Å; I174-E184 WeakPolarHBondContact O-CA 3.23Å
185	L	95.6	Very high	94	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.2	175.2	-49	178.2	0	0	0	110.1	V31 V35 F70 W173 I174 V176 V183 L187	V31-L185 HydrophobicContact CG1-CD1 3.84Å; V31-L185 HydrophobicContact CG1-CD2 3.67Å; V31-L185 HydrophobicContact CG1-CG 4.45Å; V31-L185 HydrophobicContact CG2-CD2 4.13Å; V35-L185 HydrophobicContact CG2-CD1 3.93Å; F70-L185 HydrophobicContact CB-CD2 3.64Å; F70-L185 HydrophobicContact CD2-CD2 3.89Å; F70-L185 HydrophobicContact CG-CD2 4Å; F70-L185 WeakPolarHBondContact O-CA 3.38Å; W173-L185 CarbonylContact C-O 3.52Å; W173-L185 VanDerWaalsContact CA-O 3.28Å; W173-L185 WeakPolarHBondContact CA-O 3.33Å; I174-L185 HydrophobicContact CD1-CB 4.36Å; I174-L185 HydrophobicContact CD1-CD1 3.95Å; I174-L185 HydrophobicContact CG1-CB 3.75Å; I174-L185 HydrophobicContact CG1-CD1 4.17Å; I174-L185 HydrophobicContact CG1-CG 4.27Å; I174-L185 PolarHBondContact N-O 3.34Å; I174-L185 PolarHBondContact O-N 2.95Å; V176-L185 HydrophobicContact CB-CD1 4.47Å; V176-L185 HydrophobicContact CG2-CD1 3.49Å; V176-L185 VanDerWaalsContact CG2-CD1 3.49Å; V176-L185 HydrophobicContact CG2-CG 4.03Å; V183-L185 HydrophobicContact CG1-CD2 3.59Å; V183-L185 HydrophobicContact CG1-CG 4.34Å; L185-L187 HydrophobicContact CB-CD2 4.35Å
186	E	95.3	Very high	93.8	Very high	37 Å²	37	37.3 Å²	37.3	17%	0.173	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	111.8	164.3	-173.7	174.7	175.8	0	0	108.8	F70 L71 V72 A171 W173	F70-E186 PolarHBondContact O-N 2.83Å; L71-E186 HydrophobicContact CD1-CB 3.97Å; L71-E186 HydrophobicContact CD1-CG 3.89Å; V72-E186 PolarHBondContact N-O 2.82Å; A171-E186 HydrophobicContact CB-CG 4.15Å; A171-E186 WeakPolarHBondContact CB-OE1 3.34Å; W173-E186 HydrophobicContact CD2-CB 3.94Å; W173-E186 HydrophobicContact CD2-CG 4.37Å; W173-E186 HydrophobicContact CE3-CB 4.13Å; W173-E186 HydrophobicContact CH2-CB 3.86Å; W173-E186 HydrophobicContact CZ2-CB 3.64Å; W173-E186 HydrophobicContact CZ2-CG 3.98Å; W173-E186 VanDerWaalsContact CZ2-OE2 3.23Å; W173-E186 WeakPolarHBondContact CZ2-OE2 3.35Å; W173-E186 HydrophobicContact CZ3-CB 4.09Å
187	L	96.3	Very high	93.7	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	107.7	173.4	-55.5	-174.7	0	0	0	108.5	V72 F146 V150 V172 I174 L185	V72-L187 HydrophobicContact CB-CD2 3.67Å; V72-L187 HydrophobicContact CG1-CD2 4.05Å; V72-L187 HydrophobicContact CG2-CD2 3.94Å; F146-L187 HydrophobicContact CE1-CB 3.68Å; F146-L187 HydrophobicContact CZ-CB 4.08Å; V150-L187 HydrophobicContact CG1-CD1 4.05Å; V150-L187 HydrophobicContact CG2-CD1 3.93Å; V172-L187 HydrophobicContact CG1-CB 4.33Å; V172-L187 PolarHBondContact O-N 2.72Å; I174-L187 HydrophobicContact CD1-CD1 3.89Å; I174-L187 HydrophobicContact CD1-CD2 4.36Å; I174-L187 HydrophobicContact CD1-CG 4.24Å; I174-L187 HydrophobicContact CG1-CD1 4.33Å; I174-L187 HydrophobicContact CG1-CG 4.31Å; I174-L187 HydrophobicContact CG2-CD1 4.45Å; L185-L187 HydrophobicContact CB-CD2 4.35Å
188	A	95.6	Very high	93.5	Very high	6 Å²	6	35.3 Å²	35.3	5%	0.05	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	111.3	-177.4	0	0	0	0	0	110.3	L71 V72 T73 V74 A190 L227	L71-A188 HydrophobicContact CD1-CB 3.84Å; V72-A188 PolarHBondContact O-N 2.98Å; T73-A188 CarbonylContact C-O 3.59Å; T73-A188 VanDerWaalsContact CA-O 3.29Å; T73-A188 WeakPolarHBondContact CA-O 3.22Å; V74-A188 PolarHBondContact N-O 3.44Å; A188-A190 PolarHBondContact O-N 3.01Å; A188-L227 HydrophobicContact CB-CD2 4.37Å
189	P	96.8	Very high	93.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	133.4	167.2	-23.8	34.6	0	0	0	110.1	F49 V74 I76 V142 F146 P228	F49-P189 HydrophobicContact CD1-CB 4.27Å; F49-P189 HydrophobicContact CD1-CG 4.38Å; F49-P189 HydrophobicContact CE1-CB 3.98Å; F49-P189 HydrophobicContact CE1-CG 3.95Å; V74-P189 CarbonylContact O-C 3.1Å; V74-P189 WeakPolarHBondContact O-CA 3.49Å; I76-P189 HydrophobicContact CD1-CB 3.65Å; I76-P189 HydrophobicContact CG1-CB 4.01Å; V142-P189 HydrophobicContact CG1-CB 4.46Å; F146-P189 HydrophobicContact CB-CG 3.93Å; F146-P189 HydrophobicContact CD1-CG 3.38Å; F146-P189 HydrophobicContact CD2-CG 3.95Å; F146-P189 HydrophobicContact CE1-CG 3.8Å; F146-P189 HydrophobicContact CE2-CG 4.32Å; F146-P189 HydrophobicContact CG-CG 3.47Å; F146-P189 VanDerWaalsContact CG-CG 3.47Å; F146-P189 HydrophobicContact CZ-CG 4.26Å; P189-P228 WeakPolarHBondContact O-CD 3.34Å
190	A	96.7	Very high	93.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	121.3	-174.5	0	0	0	0	0	110.4	T73 V74 I76 A188 E192 L227	T73-A190 HydrophobicContact CG2-CB 4.33Å; V74-A190 PolarHBondContact O-N 3.26Å; I76-A190 WeakPolarHBondContact CB-O 3.47Å; I76-A190 PolarHBondContact N-O 3.49Å; A188-A190 PolarHBondContact O-N 3.01Å; A190-E192 PolarHBondContact O-N 3.29Å; A190-L227 HydrophobicContact CB-CD2 3.69Å
191	V	96.3	Very high	93.6	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	111.1	167	-178.3	0	0	0	0	107.3	I76 L79 L114 F119 N225 L226 W234	I76-V191 HydrophobicContact CB-CG2 4.35Å; I76-V191 HydrophobicContact CD1-CG2 3.67Å; I76-V191 HydrophobicContact CG2-CG2 4.42Å; L79-V191 HydrophobicContact CD1-CG1 4.07Å; L79-V191 HydrophobicContact CD1-CG2 3.98Å; L114-V191 HydrophobicContact CD2-CB 4.36Å; L114-V191 HydrophobicContact CD2-CG1 4.24Å; L114-V191 HydrophobicContact CD2-CG2 3.92Å; F119-V191 HydrophobicContact CE1-CG1 4.25Å; F119-V191 HydrophobicContact CZ-CG1 3.87Å; V191-N225 CarbonylContact O-C 3.56Å; V191-N225 WeakPolarHBondContact O-CA 3.27Å; V191-L226 HydrophobicContact CB-CB 4.19Å; V191-L226 PolarHBondContact N-O 3.15Å; V191-L226 PolarHBondContact O-N 3.49Å; V191-W234 HydrophobicContact CG2-CE3 4.4Å; V191-W234 HydrophobicContact CG2-CH2 3.66Å; V191-W234 HydrophobicContact CG2-CZ2 4.36Å; V191-W234 HydrophobicContact CG2-CZ3 3.69Å
192	E	95.5	Very high	93.7	Very high	76 Å²	76	43.6 Å²	43.6	36%	0.355	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	125.5	-178.1	-61.3	178.8	159.9	0	0	109.6	A190 P194	A190-E192 PolarHBondContact O-N 3.29Å; E192-P194 VanDerWaalsContact O-CD 3.22Å; E192-P194 WeakPolarHBondContact O-CD 3.43Å
193	I	95.3	Very high	93.5	Very high	3 Å²	3	40.3 Å²	40.3	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	84.3	177.8	-63.4	168.2	0	0	0	107	Y82 G223 F224 L226	Y82-I193 HydrophobicContact CD1-CD1 3.82Å; Y82-I193 HydrophobicContact CD1-CG1 4.27Å; Y82-I193 HydrophobicContact CD1-CG2 3.57Å; Y82-I193 HydrophobicContact CD2-CD1 3.72Å; Y82-I193 HydrophobicContact CD2-CG1 4.3Å; Y82-I193 HydrophobicContact CE1-CD1 3.95Å; Y82-I193 HydrophobicContact CE1-CG2 4.36Å; Y82-I193 HydrophobicContact CE2-CD1 3.85Å; Y82-I193 HydrophobicContact CG-CD1 3.69Å; Y82-I193 HydrophobicContact CG-CG1 3.96Å; Y82-I193 HydrophobicContact CG-CG2 3.91Å; I193-G223 WeakPolarHBondContact O-CA 3.48Å; I193-F224 CarbonylContact C-O 3.54Å; I193-F224 WeakPolarHBondContact CA-O 3.14Å; I193-F224 HydrophobicContact CB-CD1 4.33Å; I193-F224 HydrophobicContact CB-CE1 4.06Å; I193-F224 HydrophobicContact CB-CE2 4.38Å; I193-F224 HydrophobicContact CB-CZ 4.1Å; I193-F224 WeakPolarHBondContact CB-O 3.41Å; I193-F224 HydrophobicContact CD1-CD2 4.31Å; I193-F224 HydrophobicContact CD1-CE1 4.29Å; I193-F224 HydrophobicContact CD1-CE2 3.48Å; I193-F224 VanDerWaalsContact CD1-CE2 3.48Å; I193-F224 HydrophobicContact CD1-CZ 3.47Å; I193-F224 VanDerWaalsContact CD1-CZ 3.47Å; I193-F224 HydrophobicContact CG1-CE2 4.47Å; I193-F224 HydrophobicContact CG1-CZ 4.37Å; I193-F224 HydrophobicContact CG2-CD1 4.24Å; I193-F224 HydrophobicContact CG2-CE1 3.66Å; I193-F224 HydrophobicContact CG2-CZ 3.94Å; I193-F224 PolarHBondContact N-O 3.46Å; I193-F224 PolarHBondContact O-N 3.23Å; I193-L226 HydrophobicContact CD1-CD1 3.51Å; I193-L226 HydrophobicContact CD1-CG 3.96Å
194	P	93.3	Very high	93.2	Very high	81 Å²	81	41 Å²	41	53%	0.526	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	159.3	-178	31.8	-36.6	0	0	0	110.6	E192 T196	E192-P194 VanDerWaalsContact O-CD 3.22Å; E192-P194 WeakPolarHBondContact O-CD 3.43Å; P194-T196 PolarHBondContact O-N 3.4Å
195	T	90.1	Very high	92.6	Very high	116 Å²	116	49.8 Å²	49.8	71%	0.712	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	-3.8	170.4	70.4	0	0	0	0	117.2	S221	T195-S221 WeakPolarHBondContact CA-O 3.48Å; T195-S221 PolarHBondContact N-O 3.14Å
196	T	91.9	Very high	91.6	Very high	51 Å²	51	52.1 Å²	52.1	31%	0.313	25%	0.251	S	S	.	.			trans	-124.2	129.6	-178.1	-56.7	0	0	0	0	109.6	P194 G223 F224	P194-T196 PolarHBondContact O-N 3.4Å; T196-G223 WeakPolarHBondContact O-CA 3.42Å; T196-F224 WeakPolarHBondContact O-CD1 3.25Å; T196-F224 WeakPolarHBondContact O-CE1 3.34Å
197	W	93.3	Very high	90.2	Very high	41 Å²	41	59.2 Å²	59.2	16%	0.155	29%	0.289	C	S	.	.			trans	-97.1	133.3	173.4	-170.4	-96.1	0	0	0	110.1	A201 K220 F238 A241 F328	W197-A201 HydrophobicContact CZ2-CB 3.97Å; W197-A201 VanDerWaalsContact NE1-CB 3.34Å; W197-A201 PolarHBondContact NE1-O 3.16Å; W197-K220 HydrophobicContact CB-CB 4.33Å; W197-K220 HydrophobicContact CB-CG 4.39Å; W197-K220 HydrophobicContact CD2-CB 4.34Å; W197-K220 HydrophobicContact CD2-CG 3.84Å; W197-K220 HydrophobicContact CE3-CB 4.17Å; W197-K220 HydrophobicContact CE3-CG 3.99Å; W197-K220 HydrophobicContact CG-CB 4.44Å; W197-K220 HydrophobicContact CG-CG 4.03Å; W197-F238 HydrophobicContact CD2-CE1 4.46Å; W197-F238 HydrophobicContact CE3-CD1 4.42Å; W197-F238 HydrophobicContact CE3-CE1 4.34Å; W197-F238 AromaticContact CH2-CD1 3.32Å; W197-F238 HydrophobicContact CH2-CD1 3.32Å; W197-F238 AromaticContact CH2-CE1 3.63Å; W197-F238 HydrophobicContact CH2-CE1 3.63Å; W197-F238 HydrophobicContact CH2-CG 4.26Å; W197-F238 AromaticContact CZ2-CD1 3.89Å; W197-F238 HydrophobicContact CZ2-CD1 3.89Å; W197-F238 AromaticContact CZ2-CE1 3.72Å; W197-F238 HydrophobicContact CZ2-CE1 3.72Å; W197-F238 AromaticContact CZ3-CD1 3.63Å; W197-F238 HydrophobicContact CZ3-CD1 3.63Å; W197-F238 AromaticContact CZ3-CE1 3.95Å; W197-F238 HydrophobicContact CZ3-CE1 3.95Å; W197-A241 HydrophobicContact CH2-CB 4.24Å; W197-A241 HydrophobicContact CZ3-CB 4.09Å; W197-F328 AromaticContact CH2-CD1 3.93Å; W197-F328 HydrophobicContact CH2-CD1 3.93Å; W197-F328 HydrophobicContact CH2-CD2 4.38Å; W197-F328 AromaticContact CH2-CE1 4Å; W197-F328 HydrophobicContact CH2-CE1 4Å; W197-F328 HydrophobicContact CH2-CE2 4.44Å; W197-F328 HydrophobicContact CH2-CG 4.12Å; W197-F328 HydrophobicContact CH2-CZ 4.24Å; W197-F328 HydrophobicContact CZ2-CB 4.18Å; W197-F328 AromaticContact CZ2-CD1 3.71Å; W197-F328 HydrophobicContact CZ2-CD1 3.71Å; W197-F328 HydrophobicContact CZ2-CE1 4.2Å; W197-F328 AromaticContact CZ2-CG 3.92Å; W197-F328 HydrophobicContact CZ2-CG 3.92Å
198	S	92.1	Very high	89	Confident	0 Å²	0	64 Å²	64	0%	0	31%	0.311	C	S	.	.			trans	-62.9	138.1	-178.4	173.1	0	0	0	0	112.3	E84 K200 A201	E84-S198 PolarHBondContact OE1-OG 2.79Å; S198-K200 PolarHBondContact O-N 3.13Å; S198-K200 PolarHBondContact OG-N 2.86Å; S198-A201 PolarHBondContact O-N 2.81Å; S198-A201 VanDerWaalsContact O-O 3.14Å
199	E	89.1	Confident	88.3	Confident	149 Å²	149	72.3 Å²	72.3	70%	0.696	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.5	174.5	-71.7	179.5	-177.7	0	0	113.2	E84 A201	E84-E199 PolarHBondContact OE1-N 2.73Å; E84-E199 WeakPolarHBondContact OE2-CB 3.27Å; E84-E199 VanDerWaalsContact OE2-CG 3.29Å; E84-E199 WeakPolarHBondContact OE2-CG 3.23Å; E84-E199 PolarHBondContact OE2-N 3.17Å; E199-A201 PolarHBondContact O-N 3.44Å
200	K	88.4	Confident	87.9	Confident	83 Å²	83	73.3 Å²	73.3	36%	0.361	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-22.6	174.3	-67.2	179.9	172.7	175.9	0	112.6	Q111 Q112 S198 L236	Q111-K200 PolarHBondContact O-NZ 3.3Å; Q112-K200 VanDerWaalsContact CB-NZ 3.32Å; S198-K200 PolarHBondContact O-N 3.13Å; S198-K200 PolarHBondContact OG-N 2.86Å; K200-L236 HydrophobicContact CB-CD1 3.98Å; K200-L236 HydrophobicContact CD-CD1 4.06Å
201	A	91.9	Very high	87.6	Confident	5 Å²	5	73.6 Å²	73.6	4%	0.041	35%	0.347	C	S	.	.			trans	-98.9	128	-177.6	0	0	0	0	0	111.6	W197 S198 E199 F238 F328 V329	W197-A201 HydrophobicContact CZ2-CB 3.97Å; W197-A201 VanDerWaalsContact NE1-CB 3.34Å; W197-A201 PolarHBondContact NE1-O 3.16Å; S198-A201 PolarHBondContact O-N 2.81Å; S198-A201 VanDerWaalsContact O-O 3.14Å; E199-A201 PolarHBondContact O-N 3.44Å; A201-F238 HydrophobicContact CB-CE1 3.85Å; A201-F238 HydrophobicContact CB-CE2 4.33Å; A201-F238 HydrophobicContact CB-CZ 3.44Å; A201-F238 VanDerWaalsContact CB-CZ 3.44Å; A201-F328 CarbonylContact C-O 3.4Å; A201-F328 VanDerWaalsContact CA-O 3.31Å; A201-F328 WeakPolarHBondContact CA-O 3.39Å; A201-F328 HydrophobicContact CB-CB 4.17Å; A201-V329 HydrophobicContact CB-CG2 4.19Å
202	R	90.7	Very high	87.3	Confident	142 Å²	142	75.9 Å²	75.9	54%	0.536	36%	0.363	S	S	.	.			trans	-130.9	126.2	177.8	-62.6	-176.2	-176.4	-171.1	0.5	109.5	F328	R202-F328 PolarHBondContact N-O 3.16Å; R202-F328 VanDerWaalsContact O-O 3.12Å
203	W	90.5	Very high	87.1	Confident	25 Å²	25	76.2 Å²	76.2	10%	0.095	37%	0.365	C	S	.	.			trans	-52.9	140.9	169.4	-149.6	-85.1	0	0	0	110.4	R205 P211 V216 I219 L245 Y327 F328 R330	W203-R205 PolarHBondContact O-N 2.84Å; W203-P211 VanDerWaalsContact CZ2-CD 3.43Å; W203-P211 HydrophobicContact CZ2-CG 3.84Å; W203-V216 HydrophobicContact CB-CG1 4.42Å; W203-V216 HydrophobicContact CD2-CB 4.39Å; W203-V216 HydrophobicContact CD2-CG1 3.69Å; W203-V216 HydrophobicContact CD2-CG2 3.91Å; W203-V216 HydrophobicContact CE3-CG1 3.71Å; W203-V216 HydrophobicContact CE3-CG2 4.44Å; W203-V216 HydrophobicContact CG-CG1 3.97Å; W203-V216 HydrophobicContact CG-CG2 4.31Å; W203-V216 HydrophobicContact CH2-CG2 4.38Å; W203-V216 HydrophobicContact CZ2-CG2 3.9Å; W203-V216 HydrophobicContact CZ3-CG1 4.25Å; W203-I219 HydrophobicContact CH2-CB 4.35Å; W203-I219 HydrophobicContact CH2-CD1 3.92Å; W203-I219 HydrophobicContact CH2-CG2 4Å; W203-I219 HydrophobicContact CZ3-CB 4.28Å; W203-I219 HydrophobicContact CZ3-CG2 3.8Å; W203-L245 HydrophobicContact CH2-CD1 3.87Å; W203-L245 HydrophobicContact CH2-CD2 3.92Å; W203-L245 HydrophobicContact CH2-CG 4.22Å; W203-L245 HydrophobicContact CZ2-CD1 4.17Å; W203-L245 HydrophobicContact CZ2-CD2 3.94Å; W203-Y327 HydrophobicContact CZ2-CE1 4.15Å; W203-F328 HydrophobicContact CD2-CE1 4.4Å; W203-F328 HydrophobicContact CE3-CD1 4.2Å; W203-F328 AromaticContact CE3-CE1 3.78Å; W203-F328 HydrophobicContact CE3-CE1 3.78Å; W203-F328 AromaticContact CH2-CE1 3.82Å; W203-F328 HydrophobicContact CH2-CE1 3.82Å; W203-F328 HydrophobicContact CH2-CZ 4.39Å; W203-F328 HydrophobicContact CZ2-CE1 4.37Å; W203-F328 HydrophobicContact CZ3-CD1 4.33Å; W203-F328 AromaticContact CZ3-CE1 3.49Å; W203-F328 HydrophobicContact CZ3-CE1 3.49Å; W203-F328 VanDerWaalsContact CZ3-CE1 3.49Å; W203-F328 HydrophobicContact CZ3-CZ 4.28Å; W203-R330 PolarHBondContact O-NH2 3.12Å
204	P	88.8	Confident	87	Confident	13 Å²	13	83.8 Å²	83.8	8%	0.084	40%	0.4	C	S	.	.			trans	-51.8	135.6	170.5	-29	36.6	0	0	0	111.6	W290 E293 Y327	P204-W290 HydrophobicContact CB-CH2 4.02Å; P204-W290 HydrophobicContact CB-CZ3 3.84Å; P204-W290 HydrophobicContact CG-CH2 3.78Å; P204-W290 HydrophobicContact CG-CZ2 4.45Å; P204-W290 HydrophobicContact CG-CZ3 3.91Å; P204-E293 HydrophobicContact CB-CG 4.23Å; P204-E293 HydrophobicContact CG-CG 4.38Å; P204-Y327 HydrophobicContact CG-CD2 3.95Å; P204-Y327 HydrophobicContact CG-CE2 3.56Å
205	R	80.6	Confident	86.9	Confident	214 Å²	214	83.5 Å²	83.5	81%	0.808	39%	0.388	S	S	*	.			trans	-102	74.9	176.1	-70.2	-176.4	-172.7	-159.6	0.1	108.4	W203	W203-R205 PolarHBondContact O-N 2.84Å
206	C	75.9	Confident	87	Confident	48 Å²	48	78.2 Å²	78.2	32%	0.324	36%	0.356	S	S	.	.			trans	-88.5	148.2	176.3	-72.1	0	0	0	0	110.7	Q208 E293	C206-Q208 PolarHBondContact O-N 3.27Å; C206-E293 WeakPolarHBondContact CB-OE2 3.44Å
207	L	65.9	Low	87.1	Confident	186 Å²	186	80 Å²	80	97%	0.974	36%	0.361	S	S	*	.	S	Bend	trans	-59.7	-37.3	-176.5	-72.7	168.9	0	0	0	112
208	Q	71.1	Confident	87.1	Confident	102 Å²	102	80.8 Å²	80.8	48%	0.477	37%	0.372	S	S	.	.	S	Bend	trans	-103.3	129.5	170.5	-64.7	-179	-16.1	0	0	108	C206 P296 H297	C206-Q208 PolarHBondContact O-N 3.27Å; Q208-P296 HydrophobicContact CB-CG 3.7Å; Q208-H297 PolarHBondContact OE1-NE2 3.11Å
209	R	79.9	Confident	87.2	Confident	181 Å²	181	80.8 Å²	80.8	68%	0.683	37%	0.372	S	S	*	.			trans	-81.5	120.1	-174.1	-61.1	-174.3	-171.8	-176.2	8.1	110.2	P211 Q213	R209-P211 CarbonylContact C-O 3.52Å; R209-Q213 VanDerWaalsContact NH1-OE1 3.14Å
210	W	89.1	Confident	87.5	Confident	21 Å²	21	76.1 Å²	76.1	8%	0.08	35%	0.349	C	S	.	.	S	Bend	trans	-133.4	130.2	162.7	178	91	0	0	0	108.8	L245 L249 F289 C292 E293 P296	W210-L245 HydrophobicContact CH2-CD2 4.49Å; W210-L249 HydrophobicContact CH2-CD2 4.18Å; W210-L249 HydrophobicContact CZ2-CD2 3.79Å; W210-F289 AromaticContact CH2-CD1 3.96Å; W210-F289 HydrophobicContact CH2-CD1 3.96Å; W210-F289 HydrophobicContact CZ3-CB 4.38Å; W210-F289 HydrophobicContact CZ3-CD1 4.42Å; W210-C292 HydrophobicContact CD2-CB 3.44Å; W210-C292 VanDerWaalsContact CD2-CB 3.44Å; W210-C292 VanDerWaalsContact CE2-CB 3.44Å; W210-C292 HydrophobicContact CE3-CB 3.42Å; W210-C292 VanDerWaalsContact CE3-CB 3.42Å; W210-C292 HydrophobicContact CG-CB 4.25Å; W210-C292 HydrophobicContact CH2-CB 3.49Å; W210-C292 VanDerWaalsContact CH2-CB 3.49Å; W210-C292 HydrophobicContact CZ2-CB 3.5Å; W210-C292 VanDerWaalsContact CZ2-CB 3.5Å; W210-C292 HydrophobicContact CZ3-CB 3.45Å; W210-C292 VanDerWaalsContact CZ3-CB 3.45Å; W210-E293 HydrophobicContact CE3-CG 4.28Å; W210-E293 VanDerWaalsContact O-OE1 3.07Å; W210-P296 HydrophobicContact CB-CB 3.71Å; W210-P296 HydrophobicContact CG-CB 4.4Å
211	P	91	Very high	87.8	Confident	7 Å²	7	75.2 Å²	75.2	5%	0.045	35%	0.353	C	S	.	.	S	Bend	cis	-70.1	-170.2	-12.5	34.2	-36.4	0	0	0	111.9	W203 R209 R215 V216 L245	W203-P211 VanDerWaalsContact CZ2-CD 3.43Å; W203-P211 HydrophobicContact CZ2-CG 3.84Å; R209-P211 CarbonylContact C-O 3.52Å; P211-R215 HydrophobicContact CB-CB 4Å; P211-R215 HydrophobicContact CG-CB 4.11Å; P211-V216 HydrophobicContact CG-CG2 3.85Å; P211-L245 HydrophobicContact CG-CD2 3.81Å
212	S	90.3	Very high	87.8	Confident	50 Å²	50	78.6 Å²	78.6	35%	0.35	37%	0.367	S	S	.	.			trans	-60.9	156.1	174.1	66.8	0	0	0	0	111.6	E214 R215 V216	S212-E214 VanDerWaalsContact C-N 3.29Å; S212-E214 PolarHBondContact O-N 3.25Å; S212-R215 PolarHBondContact O-N 2.74Å; S212-R215 VanDerWaalsContact O-N 3.14Å; S212-R215 WeakPolarHBondContact OG-CG 3.35Å; S212-R215 PolarHBondContact OG-N 2.75Å; S212-V216 WeakPolarHBondContact O-CG2 3.47Å; S212-V216 PolarHBondContact O-N 3.03Å
213	Q	90.7	Very high	87.9	Confident	83 Å²	83	72 Å²	72	39%	0.388	34%	0.344	S	S	.	.	H	α-helix	trans	-59.1	-41.3	-179.2	-170.7	66.6	37.4	0	0	112.3	R209 R215 V216 E217	R209-Q213 VanDerWaalsContact NH1-OE1 3.14Å; Q213-R215 VanDerWaalsContact C-N 3.3Å; Q213-R215 PolarHBondContact O-N 3.06Å; Q213-V216 WeakPolarHBondContact O-CB 3.41Å; Q213-V216 PolarHBondContact O-N 3.35Å; Q213-V216 VanDerWaalsContact O-N 3.14Å; Q213-E217 PolarHBondContact NE2-OE1 3.49Å; Q213-E217 PolarHBondContact O-N 3.04Å
214	E	91.8	Very high	88.2	Confident	161 Å²	161	71 Å²	71	75%	0.752	34%	0.34	S	S	*	.	H	α-helix	trans	-57.2	-44.5	176.9	-177.3	-177.9	-171.9	0	0	111.5	S212 E217 C218	S212-E214 VanDerWaalsContact C-N 3.29Å; S212-E214 PolarHBondContact O-N 3.25Å; E214-E217 PolarHBondContact O-N 3.18Å; E214-C218 WeakPolarHBondContact O-CB 3.31Å; E214-C218 PolarHBondContact O-N 3.24Å
215	R	91.6	Very high	88.5	Confident	75 Å²	75	71.5 Å²	71.5	28%	0.283	34%	0.342	S	S	.	.	H	α-helix	trans	-64.8	-40.7	175.5	-71.2	177.2	-170.3	175.8	12.5	111.9	P211 S212 Q213 E217 C218 I219 E251	P211-R215 HydrophobicContact CB-CB 4Å; P211-R215 HydrophobicContact CG-CB 4.11Å; S212-R215 PolarHBondContact O-N 2.74Å; S212-R215 VanDerWaalsContact O-N 3.14Å; S212-R215 WeakPolarHBondContact OG-CG 3.35Å; S212-R215 PolarHBondContact OG-N 2.75Å; Q213-R215 VanDerWaalsContact C-N 3.3Å; Q213-R215 PolarHBondContact O-N 3.06Å; R215-E217 VanDerWaalsContact C-N 3.34Å; R215-E217 PolarHBondContact O-N 3.06Å; R215-C218 PolarHBondContact O-N 3.15Å; R215-I219 WeakPolarHBondContact O-CB 3.33Å; R215-I219 WeakPolarHBondContact O-CD1 3.37Å; R215-I219 WeakPolarHBondContact O-CG1 3.38Å; R215-I219 PolarHBondContact O-N 3.39Å; R215-E251 IonicContact CZ-OE2 3.56Å; R215-E251 IonicContact NE-OE2 2.88Å; R215-E251 IonicContact NH1-OE2 3.51Å; R215-E251 IonicContact NH2-OE2 3.39Å; R215-E251 PolarHBondContact NH2-OE2 2.89Å
216	V	93.4	Very high	89.2	Confident	6 Å²	6	61.3 Å²	61.3	4%	0.036	30%	0.303	C	S	.	.	H	α-helix	trans	-59	-46.4	175.8	172.2	0	0	0	0	111	W203 P211 S212 Q213 I219 K220	W203-V216 HydrophobicContact CB-CG1 4.42Å; W203-V216 HydrophobicContact CD2-CB 4.39Å; W203-V216 HydrophobicContact CD2-CG1 3.69Å; W203-V216 HydrophobicContact CD2-CG2 3.91Å; W203-V216 HydrophobicContact CE3-CG1 3.71Å; W203-V216 HydrophobicContact CE3-CG2 4.44Å; W203-V216 HydrophobicContact CG-CG1 3.97Å; W203-V216 HydrophobicContact CG-CG2 4.31Å; W203-V216 HydrophobicContact CH2-CG2 4.38Å; W203-V216 HydrophobicContact CZ2-CG2 3.9Å; W203-V216 HydrophobicContact CZ3-CG1 4.25Å; P211-V216 HydrophobicContact CG-CG2 3.85Å; S212-V216 WeakPolarHBondContact O-CG2 3.47Å; S212-V216 PolarHBondContact O-N 3.03Å; Q213-V216 WeakPolarHBondContact O-CB 3.41Å; Q213-V216 PolarHBondContact O-N 3.35Å; Q213-V216 VanDerWaalsContact O-N 3.14Å; V216-I219 PolarHBondContact O-N 3.06Å; V216-K220 HydrophobicContact CG1-CD 4.24Å; V216-K220 VanDerWaalsContact O-CG 3.32Å; V216-K220 WeakPolarHBondContact O-CG 3.37Å; V216-K220 PolarHBondContact O-N 3.41Å
217	E	93.3	Very high	90.1	Very high	89 Å²	89	59.5 Å²	59.5	42%	0.416	29%	0.291	S	S	.	.	H	α-helix	trans	-69.4	-38.2	179	-61.4	-47.7	140.6	0	0	112.4	Q213 E214 R215 I219 K220 S221	Q213-E217 PolarHBondContact NE2-OE1 3.49Å; Q213-E217 PolarHBondContact O-N 3.04Å; E214-E217 PolarHBondContact O-N 3.18Å; R215-E217 VanDerWaalsContact C-N 3.34Å; R215-E217 PolarHBondContact O-N 3.06Å; E217-I219 VanDerWaalsContact C-N 3.34Å; E217-I219 PolarHBondContact O-N 3.42Å; E217-K220 PolarHBondContact O-N 3.47Å; E217-K220 IonicContact OE1-NZ 3.99Å; E217-K220 PolarHBondContact OE1-NZ 3.06Å; E217-K220 WeakPolarHBondContact OE2-CD 3.22Å; E217-K220 IonicContact OE2-NZ 2.75Å; E217-K220 PolarHBondContact OE2-NZ 3.49Å; E217-S221 PolarHBondContact O-N 3.31Å; E217-S221 VanDerWaalsContact O-N 3.08Å
218	C	93.8	Very high	91.3	Very high	56 Å²	56	50.9 Å²	50.9	38%	0.378	25%	0.246	S	C	.	.	H	α-helix	trans	-58.6	-45.3	170.8	177.9	0	0	0	0	111.5	E214 R215 K220 S221 F222	E214-C218 WeakPolarHBondContact O-CB 3.31Å; E214-C218 PolarHBondContact O-N 3.24Å; R215-C218 PolarHBondContact O-N 3.15Å; C218-K220 PolarHBondContact O-N 3.27Å; C218-S221 PolarHBondContact O-N 2.88Å; C218-S221 PolarHBondContact O-OG 3.45Å; C218-F222 WeakPolarHBondContact O-CD2 3.35Å; C218-F222 WeakPolarHBondContact O-CE2 3.49Å
219	I	94.5	Very high	91.9	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-65.7	-41.6	-179.8	-73.3	162.3	0	0	0	111.5	W203 R215 V216 E217 S221 F222 A241 V244 L245	W203-I219 HydrophobicContact CH2-CB 4.35Å; W203-I219 HydrophobicContact CH2-CD1 3.92Å; W203-I219 HydrophobicContact CH2-CG2 4Å; W203-I219 HydrophobicContact CZ3-CB 4.28Å; W203-I219 HydrophobicContact CZ3-CG2 3.8Å; R215-I219 WeakPolarHBondContact O-CB 3.33Å; R215-I219 WeakPolarHBondContact O-CD1 3.37Å; R215-I219 WeakPolarHBondContact O-CG1 3.38Å; R215-I219 PolarHBondContact O-N 3.39Å; V216-I219 PolarHBondContact O-N 3.06Å; E217-I219 VanDerWaalsContact C-N 3.34Å; E217-I219 PolarHBondContact O-N 3.42Å; I219-S221 PolarHBondContact O-N 3.18Å; I219-F222 WeakPolarHBondContact O-CD2 3.22Å; I219-F222 PolarHBondContact O-N 3.08Å; I219-A241 HydrophobicContact CG2-CB 3.35Å; I219-V244 HydrophobicContact CD1-CG1 4.24Å; I219-V244 HydrophobicContact CG1-CB 4.25Å; I219-V244 HydrophobicContact CG1-CG1 3.79Å; I219-L245 HydrophobicContact CD1-CD2 3.52Å; I219-L245 HydrophobicContact CD1-CG 3.77Å
220	K	94.4	Very high	91.9	Very high	51 Å²	51	41.1 Å²	41.1	22%	0.222	22%	0.216	C	C	.	.	H	α-helix	trans	-63.6	-30.6	177	-73.8	171.3	-178.9	169.6	0	112.8	W197 V216 E217 C218 F222 G223	W197-K220 HydrophobicContact CB-CB 4.33Å; W197-K220 HydrophobicContact CB-CG 4.39Å; W197-K220 HydrophobicContact CD2-CB 4.34Å; W197-K220 HydrophobicContact CD2-CG 3.84Å; W197-K220 HydrophobicContact CE3-CB 4.17Å; W197-K220 HydrophobicContact CE3-CG 3.99Å; W197-K220 HydrophobicContact CG-CB 4.44Å; W197-K220 HydrophobicContact CG-CG 4.03Å; V216-K220 HydrophobicContact CG1-CD 4.24Å; V216-K220 VanDerWaalsContact O-CG 3.32Å; V216-K220 WeakPolarHBondContact O-CG 3.37Å; V216-K220 PolarHBondContact O-N 3.41Å; E217-K220 PolarHBondContact O-N 3.47Å; E217-K220 IonicContact OE1-NZ 3.99Å; E217-K220 PolarHBondContact OE1-NZ 3.06Å; E217-K220 WeakPolarHBondContact OE2-CD 3.22Å; E217-K220 IonicContact OE2-NZ 2.75Å; E217-K220 PolarHBondContact OE2-NZ 3.49Å; C218-K220 PolarHBondContact O-N 3.27Å; K220-F222 PolarHBondContact O-N 3.39Å; K220-G223 PolarHBondContact O-N 2.95Å
221	S	94.2	Very high	91.6	Very high	63 Å²	63	43.7 Å²	43.7	44%	0.441	23%	0.231	S	C	.	.	H	α-helix	trans	-68.3	-18.3	-179.5	81.8	0	0	0	0	113.1	T195 E217 C218 I219 G223	T195-S221 WeakPolarHBondContact CA-O 3.48Å; T195-S221 PolarHBondContact N-O 3.14Å; E217-S221 PolarHBondContact O-N 3.31Å; E217-S221 VanDerWaalsContact O-N 3.08Å; C218-S221 PolarHBondContact O-N 2.88Å; C218-S221 PolarHBondContact O-OG 3.45Å; I219-S221 PolarHBondContact O-N 3.18Å; S221-G223 VanDerWaalsContact C-N 3.25Å; S221-G223 PolarHBondContact O-N 3.19Å
222	F	91.9	Very high	91.1	Very high	77 Å²	77	46.5 Å²	46.5	34%	0.338	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-22	170.4	-59.1	-58.5	0	0	0	112.9	C218 I219 K220 R240 V244	C218-F222 WeakPolarHBondContact O-CD2 3.35Å; C218-F222 WeakPolarHBondContact O-CE2 3.49Å; I219-F222 WeakPolarHBondContact O-CD2 3.22Å; I219-F222 PolarHBondContact O-N 3.08Å; K220-F222 PolarHBondContact O-N 3.39Å; F222-R240 HydrophobicContact CB-CG 4.01Å; F222-R240 HydrophobicContact CD2-CG 4.44Å; F222-R240 HydrophobicContact CG-CG 4.09Å; F222-V244 HydrophobicContact CD2-CG2 4.3Å; F222-V244 HydrophobicContact CE2-CG1 4.36Å; F222-V244 HydrophobicContact CE2-CG2 3.84Å; F222-V244 HydrophobicContact CZ-CG2 4.43Å
223	G	94.3	Very high	90.9	Very high	4 Å²	4	44.8 Å²	44.8	4%	0.041	23%	0.228	C	C	.	.			trans	77.6	-146	-177.9	0	0	0	0	0	114.1	I193 T196 K220 S221	I193-G223 WeakPolarHBondContact O-CA 3.48Å; T196-G223 WeakPolarHBondContact O-CA 3.42Å; K220-G223 PolarHBondContact O-N 2.95Å; S221-G223 VanDerWaalsContact C-N 3.25Å; S221-G223 PolarHBondContact O-N 3.19Å
224	F	95.4	Very high	90.9	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	168.2	-177	68.1	-81.2	0	0	0	111.8	Y82 I193 T196 L226 L236 F238	Y82-F224 AromaticContact CE1-CZ 3.95Å; Y82-F224 HydrophobicContact CE1-CZ 3.95Å; I193-F224 CarbonylContact C-O 3.54Å; I193-F224 WeakPolarHBondContact CA-O 3.14Å; I193-F224 HydrophobicContact CB-CD1 4.33Å; I193-F224 HydrophobicContact CB-CE1 4.06Å; I193-F224 HydrophobicContact CB-CE2 4.38Å; I193-F224 HydrophobicContact CB-CZ 4.1Å; I193-F224 WeakPolarHBondContact CB-O 3.41Å; I193-F224 HydrophobicContact CD1-CD2 4.31Å; I193-F224 HydrophobicContact CD1-CE1 4.29Å; I193-F224 HydrophobicContact CD1-CE2 3.48Å; I193-F224 VanDerWaalsContact CD1-CE2 3.48Å; I193-F224 HydrophobicContact CD1-CZ 3.47Å; I193-F224 VanDerWaalsContact CD1-CZ 3.47Å; I193-F224 HydrophobicContact CG1-CE2 4.47Å; I193-F224 HydrophobicContact CG1-CZ 4.37Å; I193-F224 HydrophobicContact CG2-CD1 4.24Å; I193-F224 HydrophobicContact CG2-CE1 3.66Å; I193-F224 HydrophobicContact CG2-CZ 3.94Å; I193-F224 PolarHBondContact N-O 3.46Å; I193-F224 PolarHBondContact O-N 3.23Å; T196-F224 WeakPolarHBondContact O-CD1 3.25Å; T196-F224 WeakPolarHBondContact O-CE1 3.34Å; F224-L226 HydrophobicContact CD2-CD2 4.48Å; F224-L226 HydrophobicContact CD2-CG 4.49Å; F224-L226 HydrophobicContact CE2-CD2 4.06Å; F224-L226 HydrophobicContact CE2-CG 4.08Å; F224-L236 HydrophobicContact CD2-CD2 3.5Å; F224-L236 HydrophobicContact CE2-CD2 3.41Å; F224-L236 VanDerWaalsContact CE2-CD2 3.41Å; F224-L236 HydrophobicContact CG-CD2 4.44Å; F224-L236 HydrophobicContact CZ-CD2 4.31Å; F224-F238 HydrophobicContact CB-CD1 3.86Å; F224-F238 HydrophobicContact CB-CE1 3.67Å; F224-F238 HydrophobicContact CB-CZ 4.45Å; F224-F238 HydrophobicContact CG-CE1 4.39Å
225	N	95.8	Very high	90.9	Very high	23 Å²	23	36.5 Å²	36.5	12%	0.123	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	156.8	177.9	-64.8	-9.7	0	0	0	110.6	V191 S237	V191-N225 CarbonylContact O-C 3.56Å; V191-N225 WeakPolarHBondContact O-CA 3.27Å; N225-S237 PolarHBondContact N-O 3.29Å; N225-S237 PolarHBondContact O-N 3.24Å
226	L	95.4	Very high	91.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.9	169.4	-67.6	169.6	0	0	0	110.1	Q112 L114 V191 I193 F224 W234 Q235 L236	Q112-L226 HydrophobicContact CG-CD2 3.57Å; L114-L226 HydrophobicContact CD1-CD1 3.64Å; L114-L226 HydrophobicContact CD2-CD1 4.19Å; L114-L226 HydrophobicContact CG-CD1 4.44Å; V191-L226 HydrophobicContact CB-CB 4.19Å; V191-L226 PolarHBondContact N-O 3.15Å; V191-L226 PolarHBondContact O-N 3.49Å; I193-L226 HydrophobicContact CD1-CD1 3.51Å; I193-L226 HydrophobicContact CD1-CG 3.96Å; F224-L226 HydrophobicContact CD2-CD2 4.48Å; F224-L226 HydrophobicContact CD2-CG 4.49Å; F224-L226 HydrophobicContact CE2-CD2 4.06Å; F224-L226 HydrophobicContact CE2-CG 4.08Å; L226-W234 HydrophobicContact CB-CB 4.1Å; L226-W234 HydrophobicContact CB-CD2 4.3Å; L226-W234 HydrophobicContact CB-CE3 3.76Å; L226-W234 HydrophobicContact CB-CG 4.47Å; L226-W234 HydrophobicContact CD1-CB 4.49Å; L226-W234 HydrophobicContact CD2-CB 4Å; L226-W234 HydrophobicContact CG-CB 4.44Å; L226-Q235 WeakPolarHBondContact CA-O 3.45Å; L226-L236 HydrophobicContact CD2-CD2 3.99Å; L226-L236 HydrophobicContact CD2-CG 4.49Å
227	L	94.9	Very high	91.1	Very high	10 Å²	10	33.4 Å²	33.4	5%	0.052	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	142.1	-179.4	-59.3	-177.9	0	0	0	111	T73 A188 A190 C229 Q235 S237	T73-L227 HydrophobicContact CG2-CD2 4.05Å; A188-L227 HydrophobicContact CB-CD2 4.37Å; A190-L227 HydrophobicContact CB-CD2 3.69Å; L227-C229 VanDerWaalsContact C-N 3.25Å; L227-C229 PolarHBondContact O-N 3.3Å; L227-Q235 PolarHBondContact N-O 3.26Å; L227-Q235 PolarHBondContact O-N 3.19Å; L227-S237 WeakPolarHBondContact CD1-OG 3.48Å
228	P	91.5	Very high	91.2	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.032	16%	0.16	C	C	.	.			trans	-82.6	66.5	179.6	34.9	-37.5	0	0	0	110.7	P139 L143 P189 W234	P139-P228 HydrophobicContact CB-CB 3.59Å; L143-P228 HydrophobicContact CD1-CB 3.96Å; L143-P228 HydrophobicContact CD1-CG 4.25Å; L143-P228 WeakPolarHBondContact CD1-O 3.38Å; L143-P228 HydrophobicContact CD2-CB 4.31Å; L143-P228 HydrophobicContact CD2-CG 3.75Å; L143-P228 HydrophobicContact CG-CB 3.84Å; L143-P228 HydrophobicContact CG-CG 3.86Å; P189-P228 WeakPolarHBondContact O-CD 3.34Å; P228-W234 HydrophobicContact CB-CE3 4.4Å; P228-W234 HydrophobicContact CB-CH2 4.44Å; P228-W234 HydrophobicContact CB-CZ3 4.11Å; P228-W234 HydrophobicContact CG-CZ3 4.36Å
229	C	81.9	Confident	91.2	Very high	51 Å²	51	27.9 Å²	27.9	35%	0.345	15%	0.148	S	C	.	.			trans	-86.5	-11.5	-175.9	-60.8	0	0	0	0	114.1	L227 Q235	L227-C229 VanDerWaalsContact C-N 3.25Å; L227-C229 PolarHBondContact O-N 3.3Å; C229-Q235 HydrophobicContact CB-CB 3.96Å; C229-Q235 VanDerWaalsContact CB-OE1 3.26Å
230	S	81.8	Confident	91	Very high	26 Å²	26	31.6 Å²	31.6	18%	0.182	16%	0.162	C	C	.	.	S	Bend	trans	-130.6	171.5	179.2	84.3	0	0	0	0	110.6	P139 Y232 H233	P139-S230 WeakPolarHBondContact CB-O 3.47Å; S230-Y232 PolarHBondContact O-N 3.21Å; S230-H233 WeakPolarHBondContact OG-CA 3.38Å; S230-H233 WeakPolarHBondContact OG-CB 3.45Å; S230-H233 PolarHBondContact OG-N 2.99Å; S230-H233 PolarHBondContact OG-O 2.82Å
231	N	81.8	Confident	91	Very high	75 Å²	75	29.2 Å²	29.2	40%	0.401	15%	0.151	S	C	.	.	S	Bend	trans	-68.7	-35.3	-176.6	-68.4	-18.9	0	0	0	113.2	A140	A140-N231 HydrophobicContact CB-CB 4.14Å; A140-N231 WeakPolarHBondContact CB-O 3.32Å; A140-N231 PolarHBondContact N-O 3.29Å; A140-N231 VanDerWaalsContact N-O 3.07Å
232	Y	80.4	Confident	91	Very high	66 Å²	66	26.5 Å²	26.5	26%	0.259	13%	0.132	S	C	.	.	S	Bend	trans	-122.8	-22	-168.5	-53.9	-62.6	0	0	0	113.6	Y93 V138 S230	Y93-Y232 WeakPolarHBondContact O-CE1 3.38Å; Y93-Y232 PolarHBondContact O-OH 3.34Å; V138-Y232 HydrophobicContact CG1-CD1 4.43Å; S230-Y232 PolarHBondContact O-N 3.21Å
233	H	85.7	Confident	91.1	Very high	15 Å²	15	23.9 Å²	23.9	7%	0.069	12%	0.121	C	C	.	.			trans	-115.4	137.6	-176.9	-42.1	114.6	0	0	0	111.6	W90 Y92 Q111 S230	W90-H233 AromaticContact CE3-CD2 3.96Å; W90-H233 AromaticContact CE3-NE2 3.76Å; W90-H233 AromaticContact CZ3-CD2 3.67Å; W90-H233 AromaticContact CZ3-NE2 3.87Å; Y92-H233 AromaticContact CE1-CE1 3.62Å; Y92-H233 AromaticContact CE1-NE2 3.45Å; Y92-H233 WeakPolarHBondContact CE1-NE2 3.47Å; Y92-H233 AromaticContact CZ-NE2 3.93Å; Q111-H233 HydrophobicContact CB-CB 3.76Å; Q111-H233 HydrophobicContact CG-CB 4.03Å; Q111-H233 PolarHBondContact OE1-ND1 3.16Å; S230-H233 WeakPolarHBondContact OG-CA 3.38Å; S230-H233 WeakPolarHBondContact OG-CB 3.45Å; S230-H233 PolarHBondContact OG-N 2.99Å; S230-H233 PolarHBondContact OG-O 2.82Å
234	W	91.2	Very high	91	Very high	1 Å²	1	24 Å²	24	0%	0.004	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	140.1	166	-68	86.4	0	0	0	109.3	I76 Q111 Q112 L114 I137 P139 V142 V191 L226 P228	I76-W234 HydrophobicContact CD1-CH2 4.21Å; Q111-W234 CarbonylContact C-O 3.45Å; Q111-W234 WeakPolarHBondContact CA-O 3.32Å; Q112-W234 HydrophobicContact CG-CB 4.49Å; Q112-W234 PolarHBondContact N-O 3.35Å; Q112-W234 PolarHBondContact O-N 3.25Å; L114-W234 HydrophobicContact CB-CD2 4.45Å; L114-W234 HydrophobicContact CB-CG 4.01Å; L114-W234 VanDerWaalsContact CB-NE1 3.34Å; L114-W234 HydrophobicContact CD2-CD2 4.06Å; L114-W234 HydrophobicContact CD2-CG 4.38Å; L114-W234 HydrophobicContact CD2-CZ2 4Å; I137-W234 HydrophobicContact CG2-CZ2 3.85Å; I137-W234 PolarHBondContact O-NE1 2.74Å; P139-W234 HydrophobicContact CG-CD2 4.13Å; P139-W234 HydrophobicContact CG-CG 4.01Å; V142-W234 HydrophobicContact CG2-CZ2 4.28Å; V191-W234 HydrophobicContact CG2-CE3 4.4Å; V191-W234 HydrophobicContact CG2-CH2 3.66Å; V191-W234 HydrophobicContact CG2-CZ2 4.36Å; V191-W234 HydrophobicContact CG2-CZ3 3.69Å; L226-W234 HydrophobicContact CB-CB 4.1Å; L226-W234 HydrophobicContact CB-CD2 4.3Å; L226-W234 HydrophobicContact CB-CE3 3.76Å; L226-W234 HydrophobicContact CB-CG 4.47Å; L226-W234 HydrophobicContact CD1-CB 4.49Å; L226-W234 HydrophobicContact CD2-CB 4Å; L226-W234 HydrophobicContact CG-CB 4.44Å; P228-W234 HydrophobicContact CB-CE3 4.4Å; P228-W234 HydrophobicContact CB-CH2 4.44Å; P228-W234 HydrophobicContact CB-CZ3 4.11Å; P228-W234 HydrophobicContact CG-CZ3 4.36Å
235	Q	92.5	Very high	90.9	Very high	68 Å²	68	24 Å²	24	32%	0.318	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	128.9	177.5	-174.5	174.9	-47.3	0	0	109.9	L110 L226 L227 C229 S237	L110-Q235 HydrophobicContact CB-CG 4.28Å; L226-Q235 WeakPolarHBondContact CA-O 3.45Å; L227-Q235 PolarHBondContact N-O 3.26Å; L227-Q235 PolarHBondContact O-N 3.19Å; C229-Q235 HydrophobicContact CB-CB 3.96Å; C229-Q235 VanDerWaalsContact CB-OE1 3.26Å; Q235-S237 PolarHBondContact O-N 3.04Å
236	L	94.2	Very high	90.8	Very high	4 Å²	4	24.5 Å²	24.5	2%	0.021	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	131.2	170.2	-70.1	166.9	0	0	0	110.1	L110 K200 F224 L226 F238 V329	L110-L236 HydrophobicContact CD2-CB 4.32Å; L110-L236 WeakPolarHBondContact O-CB 3.47Å; L110-L236 WeakPolarHBondContact O-CG 3.15Å; L110-L236 PolarHBondContact O-N 2.98Å; K200-L236 HydrophobicContact CB-CD1 3.98Å; K200-L236 HydrophobicContact CD-CD1 4.06Å; F224-L236 HydrophobicContact CD2-CD2 3.5Å; F224-L236 HydrophobicContact CE2-CD2 3.41Å; F224-L236 VanDerWaalsContact CE2-CD2 3.41Å; F224-L236 HydrophobicContact CG-CD2 4.44Å; F224-L236 HydrophobicContact CZ-CD2 4.31Å; L226-L236 HydrophobicContact CD2-CD2 3.99Å; L226-L236 HydrophobicContact CD2-CG 4.49Å; L236-F238 HydrophobicContact CB-CE2 3.95Å; L236-F238 HydrophobicContact CB-CZ 4.26Å; L236-V329 HydrophobicContact CD1-CG2 4.44Å
237	S	94.8	Very high	90.6	Very high	13 Å²	13	28.6 Å²	28.6	9%	0.091	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	127.6	-178.7	-170.8	0	0	0	0	110.5	N225 L227 Q235 L239	N225-S237 PolarHBondContact N-O 3.29Å; N225-S237 PolarHBondContact O-N 3.24Å; L227-S237 WeakPolarHBondContact CD1-OG 3.48Å; Q235-S237 PolarHBondContact O-N 3.04Å; S237-L239 WeakPolarHBondContact OG-CG 3.35Å
238	F	95.1	Very high	90.4	Very high	4 Å²	4	30.4 Å²	30.4	2%	0.018	15%	0.15	C	C	.	.			trans	-112.2	30.4	-174.2	-61.8	-81.6	0	0	0	111.8	W197 A201 F224 L236 R240 A241 E242 H326 F328 V329	W197-F238 HydrophobicContact CD2-CE1 4.46Å; W197-F238 HydrophobicContact CE3-CD1 4.42Å; W197-F238 HydrophobicContact CE3-CE1 4.34Å; W197-F238 AromaticContact CH2-CD1 3.32Å; W197-F238 HydrophobicContact CH2-CD1 3.32Å; W197-F238 AromaticContact CH2-CE1 3.63Å; W197-F238 HydrophobicContact CH2-CE1 3.63Å; W197-F238 HydrophobicContact CH2-CG 4.26Å; W197-F238 AromaticContact CZ2-CD1 3.89Å; W197-F238 HydrophobicContact CZ2-CD1 3.89Å; W197-F238 AromaticContact CZ2-CE1 3.72Å; W197-F238 HydrophobicContact CZ2-CE1 3.72Å; W197-F238 AromaticContact CZ3-CD1 3.63Å; W197-F238 HydrophobicContact CZ3-CD1 3.63Å; W197-F238 AromaticContact CZ3-CE1 3.95Å; W197-F238 HydrophobicContact CZ3-CE1 3.95Å; A201-F238 HydrophobicContact CB-CE1 3.85Å; A201-F238 HydrophobicContact CB-CE2 4.33Å; A201-F238 HydrophobicContact CB-CZ 3.44Å; A201-F238 VanDerWaalsContact CB-CZ 3.44Å; F224-F238 HydrophobicContact CB-CD1 3.86Å; F224-F238 HydrophobicContact CB-CE1 3.67Å; F224-F238 HydrophobicContact CB-CZ 4.45Å; F224-F238 HydrophobicContact CG-CE1 4.39Å; L236-F238 HydrophobicContact CB-CE2 3.95Å; L236-F238 HydrophobicContact CB-CZ 4.26Å; F238-R240 VanDerWaalsContact C-N 3.28Å; F238-R240 PolarHBondContact O-N 2.9Å; F238-R240 VanDerWaalsContact O-N 3.16Å; F238-A241 HydrophobicContact CB-CB 4.27Å; F238-A241 WeakPolarHBondContact O-CB 3.11Å; F238-A241 PolarHBondContact O-N 3.24Å; F238-E242 HydrophobicContact CB-CG 4.36Å; F238-E242 WeakPolarHBondContact O-CB 3.44Å; F238-E242 VanDerWaalsContact O-CG 3.3Å; F238-E242 WeakPolarHBondContact O-CG 3.43Å; F238-E242 PolarHBondContact O-N 2.91Å; F238-H326 AromaticContact CD2-CE1 3.91Å; F238-F328 HydrophobicContact CB-CD2 3.65Å; F238-F328 HydrophobicContact CB-CE2 3.57Å; F238-F328 HydrophobicContact CD1-CD2 4.15Å; F238-F328 HydrophobicContact CD2-CB 4.3Å; F238-F328 AromaticContact CD2-CD2 3.66Å; F238-F328 HydrophobicContact CD2-CD2 3.66Å; F238-F328 HydrophobicContact CD2-CE2 4.46Å; F238-F328 HydrophobicContact CD2-CG 4.36Å; F238-F328 HydrophobicContact CE2-CB 4.2Å; F238-F328 HydrophobicContact CE2-CD2 4.39Å; F238-F328 AromaticContact CG-CD2 3.53Å; F238-F328 HydrophobicContact CG-CD2 3.53Å; F238-F328 AromaticContact CG-CE2 3.96Å; F238-F328 HydrophobicContact CG-CE2 3.96Å; F238-F328 HydrophobicContact CG-CG 4.32Å; F238-F328 HydrophobicContact CZ-CB 4.47Å; F238-V329 HydrophobicContact CE2-CG2 3.98Å; F238-V329 HydrophobicContact CZ-CG2 4.42Å
239	L	92.7	Very high	90.4	Very high	24 Å²	24	30.4 Å²	30.4	13%	0.126	15%	0.15	C	C	.	.	H	α-helix	trans	-51	-45.3	-170.5	-60.7	-179.9	0	0	0	113.1	K63 L71 T73 S237 E242 Q243	K63-L239 HydrophobicContact CD-CD2 3.68Å; L71-L239 HydrophobicContact CD2-CD1 3.99Å; T73-L239 HydrophobicContact CG2-CD1 3.61Å; S237-L239 WeakPolarHBondContact OG-CG 3.35Å; L239-E242 PolarHBondContact O-N 3.43Å; L239-Q243 VanDerWaalsContact O-CB 3.31Å; L239-Q243 WeakPolarHBondContact O-CB 3.41Å; L239-Q243 PolarHBondContact O-N 2.94Å
240	R	92.1	Very high	90.9	Very high	80 Å²	80	29.7 Å²	29.7	30%	0.302	14%	0.143	S	C	.	.	H	α-helix	trans	-65.6	-46	179.4	-173.7	64.9	-172.9	-173	8.1	112.1	E60 F222 F238 E242 Q243 V244	E60-R240 IonicContact OE2-CZ 3.3Å; E60-R240 IonicContact OE2-NE 2.91Å; E60-R240 IonicContact OE2-NH1 2.75Å; E60-R240 PolarHBondContact OE2-NH1 3.44Å; F222-R240 HydrophobicContact CB-CG 4.01Å; F222-R240 HydrophobicContact CD2-CG 4.44Å; F222-R240 HydrophobicContact CG-CG 4.09Å; F238-R240 VanDerWaalsContact C-N 3.28Å; F238-R240 PolarHBondContact O-N 2.9Å; F238-R240 VanDerWaalsContact O-N 3.16Å; R240-E242 VanDerWaalsContact C-N 3.34Å; R240-E242 PolarHBondContact O-N 3.26Å; R240-Q243 PolarHBondContact O-N 3.11Å; R240-V244 WeakPolarHBondContact O-CG2 3.36Å; R240-V244 PolarHBondContact O-N 2.97Å
241	A	93.9	Very high	91.3	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.3	-43.7	177.2	0	0	0	0	0	112.1	W197 I219 F238 Q243 L245 F328	W197-A241 HydrophobicContact CH2-CB 4.24Å; W197-A241 HydrophobicContact CZ3-CB 4.09Å; I219-A241 HydrophobicContact CG2-CB 3.35Å; F238-A241 HydrophobicContact CB-CB 4.27Å; F238-A241 WeakPolarHBondContact O-CB 3.11Å; F238-A241 PolarHBondContact O-N 3.24Å; A241-Q243 VanDerWaalsContact C-N 3.35Å; A241-L245 WeakPolarHBondContact O-CG 3.31Å; A241-L245 PolarHBondContact O-N 3.33Å; A241-L245 VanDerWaalsContact O-N 3.08Å; A241-F328 HydrophobicContact CB-CE2 4.48Å; A241-F328 HydrophobicContact CB-CZ 4.26Å
242	E	94.8	Very high	91.7	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.028	16%	0.158	C	C	.	.	H	α-helix	trans	-60.9	-42.3	174.9	-72.2	-176.8	174.2	0	0	112.8	K63 F238 L239 R240 L245 L246 H282 Q285 F289 F328	K63-E242 IonicContact NZ-OE2 3.38Å; K63-E242 PolarHBondContact NZ-OE2 3.46Å; F238-E242 HydrophobicContact CB-CG 4.36Å; F238-E242 WeakPolarHBondContact O-CB 3.44Å; F238-E242 VanDerWaalsContact O-CG 3.3Å; F238-E242 WeakPolarHBondContact O-CG 3.43Å; F238-E242 PolarHBondContact O-N 2.91Å; L239-E242 PolarHBondContact O-N 3.43Å; R240-E242 VanDerWaalsContact C-N 3.34Å; R240-E242 PolarHBondContact O-N 3.26Å; E242-L245 WeakPolarHBondContact O-CB 3.43Å; E242-L245 PolarHBondContact O-N 3.49Å; E242-L246 WeakPolarHBondContact O-CG 3.46Å; E242-L246 PolarHBondContact O-N 2.83Å; E242-H282 IonicContact OE1-CE1 3.93Å; E242-H282 PolarHBondContact OE1-CE1 2.92Å; E242-H282 IonicContact OE1-ND1 3.97Å; E242-H282 PolarHBondContact OE1-ND1 3.28Å; E242-H282 IonicContact OE2-ND1 3.92Å; E242-Q285 VanDerWaalsContact CB-NE2 3.32Å; E242-Q285 VanDerWaalsContact CG-NE2 3.34Å; E242-Q285 PolarHBondContact OE2-NE2 3.1Å; E242-F289 HydrophobicContact CB-CE2 4.38Å; E242-F289 HydrophobicContact CG-CE2 4.15Å; E242-F328 HydrophobicContact CG-CE2 4.04Å
243	Q	92.4	Very high	92.2	Very high	22 Å²	22	33.5 Å²	33.5	10%	0.103	18%	0.177	C	C	.	.	H	α-helix	trans	-63.9	-49.3	179.3	-177.3	-163.9	-35.5	0	0	111.2	Y58 L239 R240 A241 L245 L246 E247	Y58-Q243 HydrophobicContact CE1-CG 4.49Å; Y58-Q243 VanDerWaalsContact CE1-OE1 3.24Å; Y58-Q243 PolarHBondContact OH-NE2 2.83Å; Y58-Q243 PolarHBondContact OH-OE1 3.47Å; L239-Q243 VanDerWaalsContact O-CB 3.31Å; L239-Q243 WeakPolarHBondContact O-CB 3.41Å; L239-Q243 PolarHBondContact O-N 2.94Å; R240-Q243 PolarHBondContact O-N 3.11Å; A241-Q243 VanDerWaalsContact C-N 3.35Å; Q243-L245 VanDerWaalsContact C-N 3.26Å; Q243-L245 PolarHBondContact O-N 3.12Å; Q243-L246 WeakPolarHBondContact O-CA 3.49Å; Q243-L246 WeakPolarHBondContact O-CB 3.47Å; Q243-L246 PolarHBondContact O-N 2.81Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.42Å; Q243-E247 PolarHBondContact NE2-OE1 3.36Å; Q243-E247 WeakPolarHBondContact O-CG 3.36Å; Q243-E247 PolarHBondContact O-N 3.39Å
244	V	92.7	Very high	92.6	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.036	18%	0.18	C	C	.	.	H	α-helix	trans	-60.2	-39.5	178.2	174.5	0	0	0	0	110.7	I219 F222 R240 L246 E247 Q248	I219-V244 HydrophobicContact CD1-CG1 4.24Å; I219-V244 HydrophobicContact CG1-CB 4.25Å; I219-V244 HydrophobicContact CG1-CG1 3.79Å; F222-V244 HydrophobicContact CD2-CG2 4.3Å; F222-V244 HydrophobicContact CE2-CG1 4.36Å; F222-V244 HydrophobicContact CE2-CG2 3.84Å; F222-V244 HydrophobicContact CZ-CG2 4.43Å; R240-V244 WeakPolarHBondContact O-CG2 3.36Å; R240-V244 PolarHBondContact O-N 2.97Å; V244-L246 PolarHBondContact O-N 3.01Å; V244-E247 PolarHBondContact O-N 3.11Å; V244-Q248 WeakPolarHBondContact O-CG 3.22Å; V244-Q248 PolarHBondContact O-N 2.91Å
245	L	93.7	Very high	92.7	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-59.7	-43.7	172.7	-77.1	173.1	0	0	0	112.8	W203 W210 P211 I219 A241 E242 Q243 L249 F289 Y327 F328	W203-L245 HydrophobicContact CH2-CD1 3.87Å; W203-L245 HydrophobicContact CH2-CD2 3.92Å; W203-L245 HydrophobicContact CH2-CG 4.22Å; W203-L245 HydrophobicContact CZ2-CD1 4.17Å; W203-L245 HydrophobicContact CZ2-CD2 3.94Å; W210-L245 HydrophobicContact CH2-CD2 4.49Å; P211-L245 HydrophobicContact CG-CD2 3.81Å; I219-L245 HydrophobicContact CD1-CD2 3.52Å; I219-L245 HydrophobicContact CD1-CG 3.77Å; A241-L245 WeakPolarHBondContact O-CG 3.31Å; A241-L245 PolarHBondContact O-N 3.33Å; A241-L245 VanDerWaalsContact O-N 3.08Å; E242-L245 WeakPolarHBondContact O-CB 3.43Å; E242-L245 PolarHBondContact O-N 3.49Å; Q243-L245 VanDerWaalsContact C-N 3.26Å; Q243-L245 PolarHBondContact O-N 3.12Å; L245-L249 WeakPolarHBondContact O-CG 3.39Å; L245-L249 PolarHBondContact O-N 3.48Å; L245-F289 HydrophobicContact CB-CE1 3.86Å; L245-F289 HydrophobicContact CB-CZ 3.75Å; L245-F289 HydrophobicContact CD1-CD2 4.41Å; L245-F289 HydrophobicContact CD1-CE1 4.43Å; L245-F289 HydrophobicContact CD1-CE2 4.01Å; L245-F289 HydrophobicContact CD1-CZ 4.02Å; L245-Y327 HydrophobicContact CD1-CD1 4.4Å; L245-Y327 HydrophobicContact CD1-CE1 3.71Å; L245-F328 HydrophobicContact CD1-CE1 4.38Å; L245-F328 HydrophobicContact CD1-CZ 3.84Å
246	L	93.8	Very high	92.9	Very high	33 Å²	33	30.9 Å²	30.9	17%	0.173	17%	0.17	C	C	.	.	H	α-helix	trans	-65.6	-39	177.8	-75.6	176.8	0	0	0	112.2	E242 Q243 V244 Q248 L249 R257 F260 Q285 L288 F289	E242-L246 WeakPolarHBondContact O-CG 3.46Å; E242-L246 PolarHBondContact O-N 2.83Å; Q243-L246 WeakPolarHBondContact O-CA 3.49Å; Q243-L246 WeakPolarHBondContact O-CB 3.47Å; Q243-L246 PolarHBondContact O-N 2.81Å; V244-L246 PolarHBondContact O-N 3.01Å; L246-Q248 VanDerWaalsContact C-N 3.31Å; L246-Q248 PolarHBondContact O-N 3.16Å; L246-L249 HydrophobicContact CD2-CD1 3.66Å; L246-L249 WeakPolarHBondContact O-CG 3.3Å; L246-R257 PolarHBondContact O-NH2 3.21Å; L246-F260 HydrophobicContact CD2-CD1 4.37Å; L246-F260 HydrophobicContact CD2-CE1 4.26Å; L246-Q285 HydrophobicContact CD1-CG 4.23Å; L246-Q285 HydrophobicContact CD2-CG 4.13Å; L246-Q285 HydrophobicContact CG-CG 4.4Å; L246-L288 HydrophobicContact CD2-CD2 4.12Å; L246-F289 HydrophobicContact CD2-CE1 3.92Å; L246-F289 HydrophobicContact CD2-CZ 4.25Å; L246-F289 HydrophobicContact CG-CE1 4.19Å; L246-F289 HydrophobicContact CG-CZ 4.1Å
247	E	91.3	Very high	92.9	Very high	87 Å²	87	35.2 Å²	35.2	41%	0.407	19%	0.186	S	C	.	.	H	α-helix	trans	-61.6	-40.6	179.5	-76.9	171.6	-174.7	0	0	111.9	Q243 V244 R257	Q243-E247 WeakPolarHBondContact CG-OE1 3.42Å; Q243-E247 PolarHBondContact NE2-OE1 3.36Å; Q243-E247 WeakPolarHBondContact O-CG 3.36Å; Q243-E247 PolarHBondContact O-N 3.39Å; V244-E247 PolarHBondContact O-N 3.11Å; E247-R257 VanDerWaalsContact CA-NH2 3.31Å; E247-R257 PolarHBondContact O-NH2 3.25Å
248	Q	89.6	Confident	92.8	Very high	47 Å²	47	37.3 Å²	37.3	22%	0.22	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	8.9	-173	-56.5	-179.6	-4.2	0	0	114.1	V244 L246 D250 E251	V244-Q248 WeakPolarHBondContact O-CG 3.22Å; V244-Q248 PolarHBondContact O-N 2.91Å; L246-Q248 VanDerWaalsContact C-N 3.31Å; L246-Q248 PolarHBondContact O-N 3.16Å; Q248-D250 VanDerWaalsContact C-N 3.32Å; Q248-D250 PolarHBondContact O-N 3.41Å; Q248-E251 HydrophobicContact CB-CG 4.3Å; Q248-E251 WeakPolarHBondContact CB-OE1 3.03Å; Q248-E251 VanDerWaalsContact CG-OE1 3.25Å; Q248-E251 WeakPolarHBondContact CG-OE1 3.49Å
249	L	91.4	Very high	92.8	Very high	5 Å²	5	37.1 Å²	37.1	3%	0.026	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-44.1	-173.7	-88.2	170.8	0	0	0	114.1	W210 L245 L246 R256 R257 L288	W210-L249 HydrophobicContact CH2-CD2 4.18Å; W210-L249 HydrophobicContact CZ2-CD2 3.79Å; L245-L249 WeakPolarHBondContact O-CG 3.39Å; L245-L249 PolarHBondContact O-N 3.48Å; L246-L249 HydrophobicContact CD2-CD1 3.66Å; L246-L249 WeakPolarHBondContact O-CG 3.3Å; L249-R256 HydrophobicContact CB-CB 4.19Å; L249-R256 HydrophobicContact CD1-CB 4.42Å; L249-R256 HydrophobicContact CD2-CB 4.03Å; L249-R256 HydrophobicContact CG-CB 4.45Å; L249-R256 WeakPolarHBondContact O-CD 3.41Å; L249-R256 PolarHBondContact O-NH1 2.59Å; L249-R257 HydrophobicContact CD1-CB 4.49Å; L249-L288 HydrophobicContact CD1-CD2 3.67Å; L249-L288 HydrophobicContact CD2-CD2 4.11Å
250	D	92.1	Very high	92.9	Very high	36 Å²	36	36.6 Å²	36.6	19%	0.193	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	25.4	-167.8	-67.4	-37.3	0	0	0	112.3	Q248 D252 G253 G254 R256 R257	Q248-D250 VanDerWaalsContact C-N 3.32Å; Q248-D250 PolarHBondContact O-N 3.41Å; D250-D252 PolarHBondContact O-N 2.94Å; D250-D252 VanDerWaalsContact O-N 3.16Å; D250-G253 WeakPolarHBondContact O-CA 3.46Å; D250-G253 PolarHBondContact O-N 3.22Å; D250-G254 WeakPolarHBondContact CB-O 3.38Å; D250-R256 WeakPolarHBondContact OD1-CB 3.49Å; D250-R256 WeakPolarHBondContact OD1-CG 3.41Å; D250-R256 PolarHBondContact OD1-N 3.34Å; D250-R256 IonicContact OD1-NH1 2.74Å; D250-R256 PolarHBondContact OD2-N 3.24Å; D250-R257 WeakPolarHBondContact OD2-CA 3.49Å; D250-R257 WeakPolarHBondContact OD2-CB 3.36Å; D250-R257 PolarHBondContact OD2-N 3.02Å
251	E	90.4	Very high	92.9	Very high	116 Å²	116	35 Å²	35	54%	0.542	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23	170.9	-71.2	-176.6	-179.7	0	0	112.5	R215 Q248 G253	R215-E251 IonicContact CZ-OE2 3.56Å; R215-E251 IonicContact NE-OE2 2.88Å; R215-E251 IonicContact NH1-OE2 3.51Å; R215-E251 IonicContact NH2-OE2 3.39Å; R215-E251 PolarHBondContact NH2-OE2 2.89Å; Q248-E251 HydrophobicContact CB-CG 4.3Å; Q248-E251 WeakPolarHBondContact CB-OE1 3.03Å; Q248-E251 VanDerWaalsContact CG-OE1 3.25Å; Q248-E251 WeakPolarHBondContact CG-OE1 3.49Å; E251-G253 VanDerWaalsContact C-N 3.28Å
252	D	90.6	Very high	92.8	Very high	68 Å²	68	35 Å²	35	36%	0.364	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	6.2	173.2	70.3	-10.8	0	0	0	113.7	D250 G254 R256 F298	D250-D252 PolarHBondContact O-N 2.94Å; D250-D252 VanDerWaalsContact O-N 3.16Å; D252-G254 PolarHBondContact OD1-N 2.82Å; D252-G254 VanDerWaalsContact OD1-N 3.12Å; D252-R256 VanDerWaalsContact CG-NH1 3.33Å; D252-R256 IonicContact OD1-CZ 3.07Å; D252-R256 IonicContact OD1-NH1 2.79Å; D252-R256 PolarHBondContact OD1-NH1 3.31Å; D252-R256 IonicContact OD1-NH2 2.76Å; D252-R256 IonicContact OD2-CZ 3.21Å; D252-R256 IonicContact OD2-NH1 2.72Å; D252-R256 PolarHBondContact OD2-NH1 3.46Å; D252-R256 VanDerWaalsContact OD2-NH1 3.11Å; D252-R256 IonicContact OD2-NH2 3.26Å; D252-R256 PolarHBondContact OD2-NH2 3.07Å; D252-F298 HydrophobicContact CB-CB 4.03Å; D252-F298 WeakPolarHBondContact OD2-CA 3.49Å; D252-F298 VanDerWaalsContact OD2-CB 3.31Å; D252-F298 WeakPolarHBondContact OD2-CB 3.48Å; D252-F298 PolarHBondContact OD2-N 2.84Å
253	G	91	Very high	92.8	Very high	63 Å²	63	34.8 Å²	34.8	65%	0.649	18%	0.184	S	C	*	.	S	Bend	trans	76.5	16.9	-178.8	0	0	0	0	0	114.9	D250 E251	D250-G253 WeakPolarHBondContact O-CA 3.46Å; D250-G253 PolarHBondContact O-N 3.22Å; E251-G253 VanDerWaalsContact C-N 3.28Å
254	G	94.1	Very high	92.8	Very high	13 Å²	13	36.1 Å²	36.1	13%	0.134	19%	0.188	C	C	.	.			trans	-69.7	177.4	174.2	0	0	0	0	0	114.4	D250 D252	D250-G254 WeakPolarHBondContact CB-O 3.38Å; D252-G254 PolarHBondContact OD1-N 2.82Å; D252-G254 VanDerWaalsContact OD1-N 3.12Å
255	C	94.4	Very high	92.6	Very high	16 Å²	16	36.2 Å²	36.2	11%	0.108	19%	0.189	C	C	.	.	S	Bend	trans	-110.2	26.2	175	70.5	0	0	0	0	114	R257 K258 C259 W301 F304	C255-R257 PolarHBondContact O-N 3.01Å; C255-K258 HydrophobicContact CB-CB 4.27Å; C255-K258 PolarHBondContact O-N 2.91Å; C255-C259 PolarHBondContact O-N 3.46Å; C255-C259 PolarHBondContact O-SG 2.86Å; C255-C259 VanDerWaalsContact SG-SG 3.69Å; C255-W301 PolarHBondContact N-O 3.18Å; C255-W301 PolarHBondContact SG-O 3.4Å; C255-F304 VanDerWaalsContact SG-CA 3.55Å
256	R	96.1	Very high	92.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-46.2	-175.7	-65.8	169.4	-172	86.4	-8.7	111.5	L249 D250 D252 C259 F260 L288 P296 W301	L249-R256 HydrophobicContact CB-CB 4.19Å; L249-R256 HydrophobicContact CD1-CB 4.42Å; L249-R256 HydrophobicContact CD2-CB 4.03Å; L249-R256 HydrophobicContact CG-CB 4.45Å; L249-R256 WeakPolarHBondContact O-CD 3.41Å; L249-R256 PolarHBondContact O-NH1 2.59Å; D250-R256 WeakPolarHBondContact OD1-CB 3.49Å; D250-R256 WeakPolarHBondContact OD1-CG 3.41Å; D250-R256 PolarHBondContact OD1-N 3.34Å; D250-R256 IonicContact OD1-NH1 2.74Å; D250-R256 PolarHBondContact OD2-N 3.24Å; D252-R256 VanDerWaalsContact CG-NH1 3.33Å; D252-R256 IonicContact OD1-CZ 3.07Å; D252-R256 IonicContact OD1-NH1 2.79Å; D252-R256 PolarHBondContact OD1-NH1 3.31Å; D252-R256 IonicContact OD1-NH2 2.76Å; D252-R256 IonicContact OD2-CZ 3.21Å; D252-R256 IonicContact OD2-NH1 2.72Å; D252-R256 PolarHBondContact OD2-NH1 3.46Å; D252-R256 VanDerWaalsContact OD2-NH1 3.11Å; D252-R256 IonicContact OD2-NH2 3.26Å; D252-R256 PolarHBondContact OD2-NH2 3.07Å; R256-C259 WeakPolarHBondContact O-CB 3.17Å; R256-C259 PolarHBondContact O-N 3.46Å; R256-F260 WeakPolarHBondContact O-CB 3.35Å; R256-F260 PolarHBondContact O-N 3.08Å; R256-L288 HydrophobicContact CB-CD1 4.36Å; R256-P296 PolarHBondContact NH2-O 3.46Å; R256-P296 VanDerWaalsContact NH2-O 3.07Å; R256-W301 HydrophobicContact CB-CD2 4.47Å; R256-W301 HydrophobicContact CB-CE3 4.13Å; R256-W301 HydrophobicContact CB-CZ3 4.31Å; R256-W301 HydrophobicContact CG-CB 4.26Å; R256-W301 HydrophobicContact CG-CD2 3.29Å; R256-W301 HydrophobicContact CG-CE3 3.38Å; R256-W301 HydrophobicContact CG-CG 3.69Å; R256-W301 HydrophobicContact CG-CH2 4.14Å; R256-W301 HydrophobicContact CG-CZ2 4.08Å; R256-W301 HydrophobicContact CG-CZ3 3.82Å; R256-W301 VanDerWaalsContact NH2-CD1 3.26Å
257	R	94.4	Very high	92.4	Very high	96 Å²	96	35.1 Å²	35.1	36%	0.362	18%	0.182	S	C	.	.	H	α-helix	trans	-61.8	-44.5	177.8	-175.3	-176.2	-65.2	-102.8	9.9	111	L246 E247 L249 D250 C255 F260 Q261	L246-R257 PolarHBondContact O-NH2 3.21Å; E247-R257 VanDerWaalsContact CA-NH2 3.31Å; E247-R257 PolarHBondContact O-NH2 3.25Å; L249-R257 HydrophobicContact CD1-CB 4.49Å; D250-R257 WeakPolarHBondContact OD2-CA 3.49Å; D250-R257 WeakPolarHBondContact OD2-CB 3.36Å; D250-R257 PolarHBondContact OD2-N 3.02Å; C255-R257 PolarHBondContact O-N 3.01Å; R257-F260 PolarHBondContact O-N 3.02Å; R257-Q261 WeakPolarHBondContact O-CG 3.32Å; R257-Q261 PolarHBondContact O-N 3.04Å
258	K	91.9	Very high	92.3	Very high	57 Å²	57	32.2 Å²	32.2	25%	0.248	17%	0.169	C	C	.	.	H	α-helix	trans	-59.8	-47.3	176.4	-168	-178.8	-173.3	173	0	111.2	E10 L14 C255 F260 Q261 V262 F304	E10-K258 WeakPolarHBondContact OE1-CE 3.47Å; E10-K258 IonicContact OE1-NZ 3.23Å; E10-K258 PolarHBondContact OE1-NZ 3.42Å; L14-K258 HydrophobicContact CD2-CD 4.25Å; L14-K258 HydrophobicContact CD2-CG 3.95Å; C255-K258 HydrophobicContact CB-CB 4.27Å; C255-K258 PolarHBondContact O-N 2.91Å; K258-F260 VanDerWaalsContact C-N 3.31Å; K258-F260 PolarHBondContact O-N 3.05Å; K258-Q261 PolarHBondContact O-N 2.76Å; K258-V262 WeakPolarHBondContact O-CG2 3.45Å; K258-V262 PolarHBondContact O-N 2.8Å; K258-V262 VanDerWaalsContact O-N 3.11Å; K258-F304 HydrophobicContact CB-CD2 4.26Å; K258-F304 HydrophobicContact CB-CE2 4.33Å; K258-F304 HydrophobicContact CD-CD2 3.68Å; K258-F304 HydrophobicContact CD-CE2 4.06Å; K258-F304 HydrophobicContact CD-CG 4.21Å; K258-F304 HydrophobicContact CG-CD2 3.82Å; K258-F304 HydrophobicContact CG-CE2 3.74Å
259	C	94.8	Very high	92.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.8	-43.3	175.6	-67.8	0	0	0	0	111.9	C255 R256 M263 F308 L311	C255-C259 PolarHBondContact O-N 3.46Å; C255-C259 PolarHBondContact O-SG 2.86Å; C255-C259 VanDerWaalsContact SG-SG 3.69Å; R256-C259 WeakPolarHBondContact O-CB 3.17Å; R256-C259 PolarHBondContact O-N 3.46Å; C259-M263 VanDerWaalsContact O-CB 3.31Å; C259-M263 WeakPolarHBondContact O-CB 3.36Å; C259-M263 PolarHBondContact O-N 3.19Å; C259-F308 HydrophobicContact CB-CB 4.5Å; C259-F308 HydrophobicContact CB-CD2 4.35Å; C259-L311 HydrophobicContact CB-CD2 4.09Å
260	F	95.4	Very high	92.1	Very high	13 Å²	13	36.2 Å²	36.2	6%	0.057	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-44	179.2	-179.7	-120.6	0	0	0	112.6	L246 R256 R257 K258 M263 R264 L284 Q285 L288	L246-F260 HydrophobicContact CD2-CD1 4.37Å; L246-F260 HydrophobicContact CD2-CE1 4.26Å; R256-F260 WeakPolarHBondContact O-CB 3.35Å; R256-F260 PolarHBondContact O-N 3.08Å; R257-F260 PolarHBondContact O-N 3.02Å; K258-F260 VanDerWaalsContact C-N 3.31Å; K258-F260 PolarHBondContact O-N 3.05Å; F260-M263 HydrophobicContact CD2-CE 4.25Å; F260-M263 PolarHBondContact O-N 3.32Å; F260-R264 HydrophobicContact CD2-CG 4.42Å; F260-R264 HydrophobicContact CE1-CG 4.31Å; F260-R264 HydrophobicContact CE2-CG 3.99Å; F260-R264 HydrophobicContact CZ-CG 3.95Å; F260-R264 WeakPolarHBondContact O-CG 3.41Å; F260-R264 PolarHBondContact O-N 3.34Å; F260-L284 HydrophobicContact CE2-CB 3.83Å; F260-Q285 HydrophobicContact CE2-CB 4.01Å; F260-Q285 HydrophobicContact CZ-CB 3.94Å; F260-Q285 HydrophobicContact CZ-CG 4.41Å; F260-L288 HydrophobicContact CB-CD2 3.77Å; F260-L288 HydrophobicContact CD1-CD2 4.47Å; F260-L288 HydrophobicContact CD2-CB 4.39Å; F260-L288 HydrophobicContact CD2-CD2 4.03Å; F260-L288 HydrophobicContact CG-CD2 3.84Å
261	Q	92.5	Very high	92	Very high	46 Å²	46	34.7 Å²	34.7	22%	0.215	19%	0.185	C	C	.	.	H	α-helix	trans	-61.1	-47.5	178.3	-74.4	172.6	-19	0	0	112	V17 R257 K258 M263 R264 Q265	V17-Q261 HydrophobicContact CG1-CB 4.08Å; V17-Q261 HydrophobicContact CG1-CG 4.48Å; V17-Q261 HydrophobicContact CG2-CB 4.45Å; R257-Q261 WeakPolarHBondContact O-CG 3.32Å; R257-Q261 PolarHBondContact O-N 3.04Å; K258-Q261 PolarHBondContact O-N 2.76Å; Q261-M263 VanDerWaalsContact C-N 3.31Å; Q261-M263 PolarHBondContact O-N 2.88Å; Q261-R264 PolarHBondContact O-N 3.47Å; Q261-Q265 PolarHBondContact O-N 3.02Å
262	V	91.9	Very high	91.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-64.5	-37.8	176.4	173.8	0	0	0	0	111.3	L13 V17 K258 Q265 L266 F304 F308	L13-V262 HydrophobicContact CB-CG2 4.34Å; L13-V262 HydrophobicContact CD1-CG1 3.85Å; L13-V262 HydrophobicContact CD2-CG1 4.33Å; V17-V262 HydrophobicContact CG2-CG2 4.49Å; K258-V262 WeakPolarHBondContact O-CG2 3.45Å; K258-V262 PolarHBondContact O-N 2.8Å; K258-V262 VanDerWaalsContact O-N 3.11Å; V262-Q265 PolarHBondContact O-N 3.29Å; V262-L266 HydrophobicContact CG1-CD1 3.91Å; V262-L266 WeakPolarHBondContact O-CG 3.43Å; V262-L266 PolarHBondContact O-N 3.28Å; V262-F304 HydrophobicContact CB-CZ 4.17Å; V262-F304 HydrophobicContact CG1-CZ 4.26Å; V262-F304 HydrophobicContact CG2-CE2 4.22Å; V262-F304 HydrophobicContact CG2-CZ 3.85Å; V262-F308 HydrophobicContact CB-CD2 4.45Å; V262-F308 HydrophobicContact CB-CE2 4.19Å; V262-F308 HydrophobicContact CG1-CD2 4.3Å; V262-F308 HydrophobicContact CG1-CE1 4.46Å; V262-F308 HydrophobicContact CG1-CE2 3.82Å; V262-F308 HydrophobicContact CG1-CZ 3.94Å
263	M	93.6	Very high	91.6	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64	-41.5	176.1	-168.3	167.6	65.5	0	0	112.3	C259 F260 Q261 K267 W271 L284 V287 F308 L311 L315	C259-M263 VanDerWaalsContact O-CB 3.31Å; C259-M263 WeakPolarHBondContact O-CB 3.36Å; C259-M263 PolarHBondContact O-N 3.19Å; F260-M263 HydrophobicContact CD2-CE 4.25Å; F260-M263 PolarHBondContact O-N 3.32Å; Q261-M263 VanDerWaalsContact C-N 3.31Å; Q261-M263 PolarHBondContact O-N 2.88Å; M263-K267 WeakPolarHBondContact O-CB 3.2Å; M263-K267 PolarHBondContact O-N 3.23Å; M263-W271 HydrophobicContact CG-CH2 4.31Å; M263-W271 HydrophobicContact CG-CZ3 3.83Å; M263-L284 HydrophobicContact CE-CB 3.67Å; M263-L284 HydrophobicContact CE-CD2 3.93Å; M263-L284 HydrophobicContact CE-CG 4.24Å; M263-L284 WeakPolarHBondContact CE-O 3.4Å; M263-L284 HydrophobicContact CG-CD1 4.23Å; M263-L284 HydrophobicContact CG-CD2 4.11Å; M263-L284 HydrophobicContact SD-CD2 4.14Å; M263-V287 HydrophobicContact CE-CG1 4.48Å; M263-F308 HydrophobicContact CB-CE2 3.95Å; M263-L311 HydrophobicContact CB-CD2 4.31Å; M263-L311 HydrophobicContact CE-CD1 4.19Å; M263-L311 HydrophobicContact CE-CD2 3.41Å; M263-L311 VanDerWaalsContact CE-CD2 3.41Å; M263-L311 HydrophobicContact CE-CG 3.66Å; M263-L311 HydrophobicContact SD-CB 4.41Å; M263-L311 HydrophobicContact SD-CD2 3.54Å; M263-L311 VanDerWaalsContact SD-CD2 3.54Å; M263-L311 HydrophobicContact SD-CG 3.5Å; M263-L311 WeakPolarHBondContact SD-CG 3.46Å; M263-L315 HydrophobicContact SD-CD2 4.21Å
264	R	92.4	Very high	91.1	Very high	51 Å²	51	29.6 Å²	29.6	19%	0.192	17%	0.165	C	C	.	.	H	α-helix	trans	-60.9	-47.2	174.4	-76.8	-173.8	64	170.8	8.2	111.2	V64 L65 F260 Q261 L266 K267 E268 S281 L284	V64-R264 PolarHBondContact O-NH2 3.43Å; L65-R264 PolarHBondContact O-NH2 3.45Å; F260-R264 HydrophobicContact CD2-CG 4.42Å; F260-R264 HydrophobicContact CE1-CG 4.31Å; F260-R264 HydrophobicContact CE2-CG 3.99Å; F260-R264 HydrophobicContact CZ-CG 3.95Å; F260-R264 WeakPolarHBondContact O-CG 3.41Å; F260-R264 PolarHBondContact O-N 3.34Å; Q261-R264 PolarHBondContact O-N 3.47Å; R264-L266 PolarHBondContact O-N 2.88Å; R264-K267 WeakPolarHBondContact O-CB 3.44Å; R264-K267 PolarHBondContact O-N 3.15Å; R264-E268 IonicContact NE-OE1 3.9Å; R264-E268 IonicContact NH2-OE1 3.83Å; R264-E268 VanDerWaalsContact O-CG 3.32Å; R264-E268 WeakPolarHBondContact O-CG 3.43Å; R264-E268 PolarHBondContact O-N 3.26Å; R264-S281 PolarHBondContact NE-OG 3.1Å; R264-L284 HydrophobicContact CB-CD1 4.41Å; R264-L284 HydrophobicContact CG-CD1 3.97Å
265	Q	89.8	Confident	90.1	Very high	8 Å²	8	33.2 Å²	33.2	4%	0.037	18%	0.181	C	C	.	.	H	α-helix	trans	-59.9	-49.2	179.2	-172.9	-172.7	-14.1	0	0	111.6	L13 Q261 V262 K267 E268 D269	L13-Q265 PolarHBondContact O-OE1 3.29Å; Q261-Q265 PolarHBondContact O-N 3.02Å; V262-Q265 PolarHBondContact O-N 3.29Å; Q265-K267 VanDerWaalsContact C-N 3.28Å; Q265-K267 PolarHBondContact O-N 3.4Å; Q265-E268 PolarHBondContact O-N 3.48Å; Q265-E268 VanDerWaalsContact O-N 3.09Å; Q265-D269 VanDerWaalsContact CG-OD2 3.25Å; Q265-D269 WeakPolarHBondContact CG-OD2 3.27Å; Q265-D269 PolarHBondContact NE2-OD2 2.83Å; Q265-D269 WeakPolarHBondContact O-CB 3.13Å; Q265-D269 VanDerWaalsContact O-CG 3.29Å; Q265-D269 PolarHBondContact O-N 3.42Å
266	L	90.4	Very high	89.4	Confident	5 Å²	5	41.1 Å²	41.1	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-64.7	-32.4	178.9	-72.9	166.4	0	0	0	112.9	V262 R264 E268 V270 W271 F308 F353 I359	V262-L266 HydrophobicContact CG1-CD1 3.91Å; V262-L266 WeakPolarHBondContact O-CG 3.43Å; V262-L266 PolarHBondContact O-N 3.28Å; R264-L266 PolarHBondContact O-N 2.88Å; L266-E268 VanDerWaalsContact C-N 3.35Å; L266-V270 HydrophobicContact CD2-CG2 4.06Å; L266-V270 WeakPolarHBondContact O-CA 3.46Å; L266-V270 WeakPolarHBondContact O-CB 3.5Å; L266-V270 PolarHBondContact O-N 3.28Å; L266-W271 HydrophobicContact CB-CD2 4.16Å; L266-W271 HydrophobicContact CB-CE3 4.11Å; L266-W271 HydrophobicContact CB-CH2 3.65Å; L266-W271 HydrophobicContact CB-CZ2 3.7Å; L266-W271 HydrophobicContact CB-CZ3 3.86Å; L266-W271 HydrophobicContact CD1-CH2 3.96Å; L266-W271 HydrophobicContact CD1-CZ2 3.89Å; L266-W271 HydrophobicContact CG-CH2 4.47Å; L266-W271 HydrophobicContact CG-CZ2 4.37Å; L266-W271 PolarHBondContact O-N 3.21Å; L266-F308 HydrophobicContact CD1-CE1 4.02Å; L266-F308 HydrophobicContact CD1-CE2 4.37Å; L266-F308 HydrophobicContact CD1-CZ 3.44Å; L266-F308 VanDerWaalsContact CD1-CZ 3.44Å; L266-F353 HydrophobicContact CD1-CE2 4.42Å; L266-F353 HydrophobicContact CD1-CZ 4.24Å; L266-I359 HydrophobicContact CD1-CD1 4.19Å; L266-I359 HydrophobicContact CD2-CD1 4.49Å; L266-I359 HydrophobicContact CD2-CG1 4.18Å; L266-I359 HydrophobicContact CD2-CG2 3.86Å
267	K	92.4	Very high	88.9	Confident	9 Å²	9	42.4 Å²	42.4	4%	0.039	22%	0.217	C	C	.	.	I	π-helix	trans	-62.5	-43.1	171.7	177	-115.9	93.2	70.5	0	111.6	M263 R264 Q265 W271 C272 P277 I279 L284	M263-K267 WeakPolarHBondContact O-CB 3.2Å; M263-K267 PolarHBondContact O-N 3.23Å; R264-K267 WeakPolarHBondContact O-CB 3.44Å; R264-K267 PolarHBondContact O-N 3.15Å; Q265-K267 VanDerWaalsContact C-N 3.28Å; Q265-K267 PolarHBondContact O-N 3.4Å; K267-W271 HydrophobicContact CB-CE3 4.05Å; K267-C272 HydrophobicContact CG-CB 4.4Å; K267-C272 PolarHBondContact NZ-O 2.77Å; K267-C272 CarbonylContact O-C 3.55Å; K267-C272 WeakPolarHBondContact O-CA 3.5Å; K267-C272 PolarHBondContact O-N 2.82Å; K267-P277 VanDerWaalsContact NZ-CG 3.33Å; K267-I279 WeakPolarHBondContact CD-O 3.39Å; K267-I279 HydrophobicContact CG-CG2 4.33Å; K267-I279 PolarHBondContact NZ-O 2.97Å; K267-L284 HydrophobicContact CB-CD1 3.69Å; K267-L284 HydrophobicContact CD-CD1 3.85Å; K267-L284 HydrophobicContact CG-CD1 3.89Å
268	E	89.6	Confident	88.7	Confident	27 Å²	27	38.6 Å²	38.6	13%	0.126	20%	0.204	C	C	.	.	I	π-helix	trans	-74.8	-37	-179.2	-67.9	163.5	-171.8	0	0	112.3	R20 P67 R264 Q265 L266 P273	R20-E268 IonicContact CZ-OE2 3.18Å; R20-E268 IonicContact NE-OE2 3.07Å; R20-E268 IonicContact NH1-OE2 3.69Å; R20-E268 PolarHBondContact NH1-OE2 2.88Å; P67-E268 WeakPolarHBondContact CG-OE2 3.45Å; R264-E268 IonicContact NE-OE1 3.9Å; R264-E268 IonicContact NH2-OE1 3.83Å; R264-E268 VanDerWaalsContact O-CG 3.32Å; R264-E268 WeakPolarHBondContact O-CG 3.43Å; R264-E268 PolarHBondContact O-N 3.26Å; Q265-E268 PolarHBondContact O-N 3.48Å; Q265-E268 VanDerWaalsContact O-N 3.09Å; L266-E268 VanDerWaalsContact C-N 3.35Å; E268-P273 VanDerWaalsContact O-CA 3.26Å; E268-P273 WeakPolarHBondContact O-CA 3.29Å; E268-P273 WeakPolarHBondContact O-CB 3.47Å
269	D	87.5	Confident	88.8	Confident	63 Å²	63	36 Å²	36	34%	0.337	19%	0.193	S	C	.	.	I	π-helix	trans	-92.4	-31.7	-171.9	-63.6	-5.3	0	0	0	113	R20 Q265	R20-D269 IonicContact CZ-OD1 3.01Å; R20-D269 VanDerWaalsContact CZ-OD1 3.3Å; R20-D269 IonicContact NH1-OD1 2.59Å; R20-D269 PolarHBondContact NH1-OD1 2.92Å; R20-D269 IonicContact NH2-OD1 3.57Å; R20-D269 PolarHBondContact NH2-OD1 3.29Å; Q265-D269 VanDerWaalsContact CG-OD2 3.25Å; Q265-D269 WeakPolarHBondContact CG-OD2 3.27Å; Q265-D269 PolarHBondContact NE2-OD2 2.83Å; Q265-D269 WeakPolarHBondContact O-CB 3.13Å; Q265-D269 VanDerWaalsContact O-CG 3.29Å; Q265-D269 PolarHBondContact O-N 3.42Å
270	V	88.4	Confident	88.7	Confident	72 Å²	72	38.5 Å²	38.5	44%	0.436	21%	0.208	S	C	.	.	I	π-helix	trans	-126.4	-55.6	-166.4	-174.6	0	0	0	0	112.5	L266	L266-V270 HydrophobicContact CD2-CG2 4.06Å; L266-V270 WeakPolarHBondContact O-CA 3.46Å; L266-V270 WeakPolarHBondContact O-CB 3.5Å; L266-V270 PolarHBondContact O-N 3.28Å
271	W	90.1	Very high	88.5	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.015	21%	0.209	C	C	.	.	I	π-helix	trans	-79.5	-45	-167.4	-54.2	-34.3	0	0	0	112.3	M263 L266 K267 F308 V312 L315 V346 K349 L350 F353	M263-W271 HydrophobicContact CG-CH2 4.31Å; M263-W271 HydrophobicContact CG-CZ3 3.83Å; L266-W271 HydrophobicContact CB-CD2 4.16Å; L266-W271 HydrophobicContact CB-CE3 4.11Å; L266-W271 HydrophobicContact CB-CH2 3.65Å; L266-W271 HydrophobicContact CB-CZ2 3.7Å; L266-W271 HydrophobicContact CB-CZ3 3.86Å; L266-W271 HydrophobicContact CD1-CH2 3.96Å; L266-W271 HydrophobicContact CD1-CZ2 3.89Å; L266-W271 HydrophobicContact CG-CH2 4.47Å; L266-W271 HydrophobicContact CG-CZ2 4.37Å; L266-W271 PolarHBondContact O-N 3.21Å; K267-W271 HydrophobicContact CB-CE3 4.05Å; W271-F308 HydrophobicContact CH2-CZ 4.25Å; W271-V312 HydrophobicContact CH2-CG1 4.27Å; W271-V312 HydrophobicContact CH2-CG2 3.84Å; W271-V312 HydrophobicContact CZ2-CG1 4.29Å; W271-V312 HydrophobicContact CZ2-CG2 4.39Å; W271-L315 HydrophobicContact CE3-CD2 4.31Å; W271-L315 HydrophobicContact CZ3-CD2 4.11Å; W271-V346 HydrophobicContact CB-CG1 4.37Å; W271-K349 WeakPolarHBondContact O-CD 3.48Å; W271-K349 PolarHBondContact O-NZ 2.82Å; W271-L350 HydrophobicContact CD2-CD2 3.51Å; W271-L350 HydrophobicContact CE3-CD2 3.71Å; W271-L350 HydrophobicContact CG-CD2 3.99Å; W271-L350 HydrophobicContact CH2-CD2 4.12Å; W271-L350 HydrophobicContact CZ2-CD2 3.92Å; W271-L350 HydrophobicContact CZ3-CD2 4.02Å; W271-F353 HydrophobicContact CZ2-CD1 4.02Å; W271-F353 HydrophobicContact CZ2-CD2 4.37Å; W271-F353 HydrophobicContact CZ2-CE1 4.13Å; W271-F353 HydrophobicContact CZ2-CE2 4.48Å; W271-F353 HydrophobicContact CZ2-CG 4.13Å; W271-F353 HydrophobicContact CZ2-CZ 4.37Å; W271-F353 AromaticContact NE1-CG 4Å
272	C	88.9	Confident	88.6	Confident	10 Å²	10	38.3 Å²	38.3	7%	0.068	21%	0.209	C	C	.	.	S	Bend	trans	-145.2	68.7	-174.1	-169.6	0	0	0	0	110.8	K267 P277 V278 V346	K267-C272 HydrophobicContact CG-CB 4.4Å; K267-C272 PolarHBondContact NZ-O 2.77Å; K267-C272 CarbonylContact O-C 3.55Å; K267-C272 WeakPolarHBondContact O-CA 3.5Å; K267-C272 PolarHBondContact O-N 2.82Å; C272-P277 HydrophobicContact CB-CB 4.38Å; C272-P277 VanDerWaalsContact SG-CA 3.51Å; C272-P277 WeakPolarHBondContact SG-CB 3.29Å; C272-V278 VanDerWaalsContact SG-CG1 3.58Å; C272-V278 PolarHBondContact SG-N 3.45Å; C272-V278 VanDerWaalsContact SG-N 3.37Å; C272-V346 HydrophobicContact CB-CG2 4.22Å
273	P	84.7	Confident	88.8	Confident	76 Å²	76	39.1 Å²	39.1	49%	0.494	21%	0.212	S	C	.	.			trans	-71.1	157.9	177.3	31.6	-35.8	0	0	0	111.9	E268	E268-P273 VanDerWaalsContact O-CA 3.26Å; E268-P273 WeakPolarHBondContact O-CA 3.29Å; E268-P273 WeakPolarHBondContact O-CB 3.47Å
274	G	80.1	Confident	89	Confident	54 Å²	54	39.1 Å²	39.1	56%	0.557	21%	0.212	S	C	*	.	S	Bend	trans	107.2	169.3	177.3	0	0	0	0	0	114.5	R276	G274-R276 VanDerWaalsContact C-N 3.34Å; G274-R276 PolarHBondContact O-N 2.69Å
275	N	71.9	Confident	89.2	Confident	89 Å²	89	36.9 Å²	36.9	48%	0.476	20%	0.204	S	C	.	.	S	Bend	trans	-81.6	-8.9	-171.4	-62.8	-9.4	0	0	0	113.7	Q69	Q69-N275 VanDerWaalsContact CD-O 3.29Å; Q69-N275 PolarHBondContact NE2-O 3.07Å; Q69-N275 PolarHBondContact OE1-O 3.13Å; Q69-N275 VanDerWaalsContact OE1-O 3.11Å
276	R	79.8	Confident	89.5	Confident	183 Å²	183	36.5 Å²	36.5	69%	0.691	20%	0.202	S	C	*	.	S	Bend	trans	-132.8	69.7	176.7	-65.4	-173.1	-173.5	178.1	5.2	110.2	R169 G274	R169-R276 VanDerWaalsContact CZ-NH2 3.28Å; G274-R276 VanDerWaalsContact C-N 3.34Å; G274-R276 PolarHBondContact O-N 2.69Å
277	P	85.5	Confident	89.9	Confident	26 Å²	26	36.3 Å²	36.3	17%	0.169	20%	0.201	C	C	.	.			trans	-77.9	138.5	-172.5	32.3	-36	0	0	0	111.7	K267 C272 I279	K267-P277 VanDerWaalsContact NZ-CG 3.33Å; C272-P277 HydrophobicContact CB-CB 4.38Å; C272-P277 VanDerWaalsContact SG-CA 3.51Å; C272-P277 WeakPolarHBondContact SG-CB 3.29Å; P277-I279 WeakPolarHBondContact CB-O 3.43Å; P277-I279 WeakPolarHBondContact CG-O 3.25Å; P277-I279 PolarHBondContact O-N 3.22Å
278	V	91.2	Very high	90.2	Very high	16 Å²	16	35.9 Å²	35.9	10%	0.097	20%	0.199	C	C	.	.	S	Bend	trans	-57.2	-29.5	171	69.3	0	0	0	0	112.3	C272 T338 E342 L343 V346	C272-V278 VanDerWaalsContact SG-CG1 3.58Å; C272-V278 PolarHBondContact SG-N 3.45Å; C272-V278 VanDerWaalsContact SG-N 3.37Å; V278-T338 HydrophobicContact CB-CG2 4.38Å; V278-T338 HydrophobicContact CG2-CG2 3.09Å; V278-E342 HydrophobicContact CB-CB 3.98Å; V278-E342 HydrophobicContact CG1-CB 4.13Å; V278-E342 HydrophobicContact CG2-CB 3.73Å; V278-L343 HydrophobicContact CG2-CD2 3.85Å; V278-L343 HydrophobicContact CG2-CG 3.9Å; V278-V346 HydrophobicContact CG1-CG2 3.56Å
279	I	92.8	Very high	90.5	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	19%	0.193	C	C	.	.	S	Bend	trans	-112.3	120.1	170.5	-58.6	-174.6	0	0	0	110.4	K267 P277 H283 L284 L315 V319 L343 V346	K267-I279 WeakPolarHBondContact CD-O 3.39Å; K267-I279 HydrophobicContact CG-CG2 4.33Å; K267-I279 PolarHBondContact NZ-O 2.97Å; P277-I279 WeakPolarHBondContact CB-O 3.43Å; P277-I279 WeakPolarHBondContact CG-O 3.25Å; P277-I279 PolarHBondContact O-N 3.22Å; I279-H283 HydrophobicContact CG2-CB 3.96Å; I279-L284 HydrophobicContact CG2-CD2 3.87Å; I279-L284 HydrophobicContact CG2-CG 4.25Å; I279-L315 HydrophobicContact CD1-CD1 4.32Å; I279-V319 HydrophobicContact CD1-CG1 4.38Å; I279-V319 HydrophobicContact CD1-CG2 3.42Å; I279-V319 VanDerWaalsContact CD1-CG2 3.42Å; I279-L343 HydrophobicContact CG1-CD2 4.45Å; I279-V346 HydrophobicContact CD1-CB 4.3Å; I279-V346 HydrophobicContact CD1-CG1 3.48Å; I279-V346 VanDerWaalsContact CD1-CG1 3.48Å; I279-V346 HydrophobicContact CG1-CG1 4.37Å
280	T	92.7	Very high	90.9	Very high	53 Å²	53	33.9 Å²	33.9	33%	0.325	19%	0.186	S	C	.	.			trans	-94.1	167	178.3	69.2	0	0	0	0	112.2	H282 H283 L284	T280-H282 PolarHBondContact O-N 3.26Å; T280-H282 PolarHBondContact OG1-N 2.99Å; T280-H283 PolarHBondContact N-ND1 3.38Å; T280-H283 WeakPolarHBondContact O-CB 3.45Å; T280-H283 PolarHBondContact O-N 2.95Å; T280-H283 PolarHBondContact OG1-N 3.39Å; T280-H283 PolarHBondContact OG1-ND1 3.21Å; T280-L284 PolarHBondContact O-N 3.5Å
281	S	92.1	Very high	91.3	Very high	10 Å²	10	30.7 Å²	30.7	7%	0.07	17%	0.167	C	C	.	.	H	α-helix	trans	-58.5	-34	171.5	-177.9	0	0	0	0	112.5	L65 R264 H283 L284 Q285	L65-S281 VanDerWaalsContact O-CB 3.31Å; L65-S281 WeakPolarHBondContact O-CB 3.16Å; R264-S281 PolarHBondContact NE-OG 3.1Å; S281-H283 PolarHBondContact O-N 3.07Å; S281-L284 WeakPolarHBondContact O-CB 3.19Å; S281-L284 PolarHBondContact O-N 3.15Å; S281-Q285 WeakPolarHBondContact O-CB 3.46Å; S281-Q285 PolarHBondContact O-N 2.87Å
282	H	94	Very high	91.5	Very high	46 Å²	46	30.5 Å²	30.5	21%	0.213	17%	0.166	C	C	.	.	H	α-helix	trans	-66	-37.1	176.8	177.4	69.5	0	0	0	112.6	E242 T280 Q285 T286	E242-H282 IonicContact OE1-CE1 3.93Å; E242-H282 PolarHBondContact OE1-CE1 2.92Å; E242-H282 IonicContact OE1-ND1 3.97Å; E242-H282 PolarHBondContact OE1-ND1 3.28Å; E242-H282 IonicContact OE2-ND1 3.92Å; T280-H282 PolarHBondContact O-N 3.26Å; T280-H282 PolarHBondContact OG1-N 2.99Å; H282-Q285 PolarHBondContact O-N 3.38Å; H282-T286 PolarHBondContact O-N 2.99Å; H282-T286 PolarHBondContact O-OG1 3.18Å; H282-T286 VanDerWaalsContact O-OG1 3.11Å
283	H	96.4	Very high	91.8	Very high	17 Å²	17	30.4 Å²	30.4	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-61.8	-45.5	172.5	-60.6	156.1	0	0	0	111.4	I279 T280 S281 Q285 T286 V287 L324 F335	I279-H283 HydrophobicContact CG2-CB 3.96Å; T280-H283 PolarHBondContact N-ND1 3.38Å; T280-H283 WeakPolarHBondContact O-CB 3.45Å; T280-H283 PolarHBondContact O-N 2.95Å; T280-H283 PolarHBondContact OG1-N 3.39Å; T280-H283 PolarHBondContact OG1-ND1 3.21Å; S281-H283 PolarHBondContact O-N 3.07Å; H283-Q285 VanDerWaalsContact C-N 3.31Å; H283-Q285 PolarHBondContact O-N 3Å; H283-T286 PolarHBondContact O-N 3.3Å; H283-V287 WeakPolarHBondContact O-CG2 3.49Å; H283-V287 PolarHBondContact O-N 3.41Å; H283-L324 HydrophobicContact CB-CD2 3.81Å; H283-F335 HydrophobicContact CB-CE1 4.28Å; H283-F335 HydrophobicContact CB-CZ 4.44Å; H283-F335 AromaticContact CE1-CE1 3.8Å; H283-F335 AromaticContact CG-CE1 3.77Å; H283-F335 AromaticContact ND1-CE1 3.47Å; H283-F335 WeakPolarHBondContact ND1-CE1 3.44Å
284	L	97.2	Very high	92.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-40.7	176.6	-64.4	-170.9	0	0	0	112.2	F260 M263 R264 K267 I279 T280 S281 V287 L288 L315	F260-L284 HydrophobicContact CE2-CB 3.83Å; M263-L284 HydrophobicContact CE-CB 3.67Å; M263-L284 HydrophobicContact CE-CD2 3.93Å; M263-L284 HydrophobicContact CE-CG 4.24Å; M263-L284 WeakPolarHBondContact CE-O 3.4Å; M263-L284 HydrophobicContact CG-CD1 4.23Å; M263-L284 HydrophobicContact CG-CD2 4.11Å; M263-L284 HydrophobicContact SD-CD2 4.14Å; R264-L284 HydrophobicContact CB-CD1 4.41Å; R264-L284 HydrophobicContact CG-CD1 3.97Å; K267-L284 HydrophobicContact CB-CD1 3.69Å; K267-L284 HydrophobicContact CD-CD1 3.85Å; K267-L284 HydrophobicContact CG-CD1 3.89Å; I279-L284 HydrophobicContact CG2-CD2 3.87Å; I279-L284 HydrophobicContact CG2-CG 4.25Å; T280-L284 PolarHBondContact O-N 3.5Å; S281-L284 WeakPolarHBondContact O-CB 3.19Å; S281-L284 PolarHBondContact O-N 3.15Å; L284-V287 WeakPolarHBondContact O-CB 3.23Å; L284-V287 PolarHBondContact O-N 2.82Å; L284-L288 PolarHBondContact O-N 3.48Å; L284-L315 HydrophobicContact CD2-CD1 3.85Å; L284-L315 HydrophobicContact CD2-CD2 3.6Å; L284-L315 HydrophobicContact CD2-CG 4.37Å
285	Q	97.4	Very high	92.9	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.019	15%	0.154	C	C	.	.	H	α-helix	trans	-65.5	-42.8	178	-172.7	-170.7	-60.7	0	0	111.3	E242 L246 F260 S281 H282 H283 V287 L288 F289	E242-Q285 VanDerWaalsContact CB-NE2 3.32Å; E242-Q285 VanDerWaalsContact CG-NE2 3.34Å; E242-Q285 PolarHBondContact OE2-NE2 3.1Å; L246-Q285 HydrophobicContact CD1-CG 4.23Å; L246-Q285 HydrophobicContact CD2-CG 4.13Å; L246-Q285 HydrophobicContact CG-CG 4.4Å; F260-Q285 HydrophobicContact CE2-CB 4.01Å; F260-Q285 HydrophobicContact CZ-CB 3.94Å; F260-Q285 HydrophobicContact CZ-CG 4.41Å; S281-Q285 WeakPolarHBondContact O-CB 3.46Å; S281-Q285 PolarHBondContact O-N 2.87Å; H282-Q285 PolarHBondContact O-N 3.38Å; H283-Q285 VanDerWaalsContact C-N 3.31Å; H283-Q285 PolarHBondContact O-N 3Å; Q285-V287 VanDerWaalsContact C-N 3.33Å; Q285-V287 PolarHBondContact O-N 2.94Å; Q285-L288 WeakPolarHBondContact O-CB 3.5Å; Q285-L288 PolarHBondContact O-N 3.01Å; Q285-L288 VanDerWaalsContact O-N 3.14Å; Q285-F289 HydrophobicContact CG-CD2 4.43Å; Q285-F289 HydrophobicContact CG-CE1 4.16Å; Q285-F289 HydrophobicContact CG-CE2 3.85Å; Q285-F289 HydrophobicContact CG-CZ 3.7Å; Q285-F289 WeakPolarHBondContact O-CG 3.37Å; Q285-F289 PolarHBondContact O-N 2.97Å
286	T	97.3	Very high	93.9	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-64.7	-38.8	176.5	-64.5	0	0	0	0	111.2	H282 H283 L288 F289 W290 L324 K325 L334	H282-T286 PolarHBondContact O-N 2.99Å; H282-T286 PolarHBondContact O-OG1 3.18Å; H282-T286 VanDerWaalsContact O-OG1 3.11Å; H283-T286 PolarHBondContact O-N 3.3Å; T286-L288 VanDerWaalsContact C-N 3.34Å; T286-L288 PolarHBondContact O-N 3.21Å; T286-F289 PolarHBondContact O-N 3.43Å; T286-W290 PolarHBondContact O-N 2.86Å; T286-W290 VanDerWaalsContact O-N 3.07Å; T286-L324 HydrophobicContact CG2-CD1 3.94Å; T286-L324 HydrophobicContact CG2-CD2 4.33Å; T286-L324 HydrophobicContact CG2-CG 4.05Å; T286-K325 WeakPolarHBondContact CG2-O 3.49Å; T286-L334 HydrophobicContact CG2-CD1 3.92Å
287	V	98.1	Very high	94.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.9	-41.9	171.7	165.2	0	0	0	0	111.6	M263 H283 L284 Q285 T291 L311 K314 L315 L324	M263-V287 HydrophobicContact CE-CG1 4.48Å; H283-V287 WeakPolarHBondContact O-CG2 3.49Å; H283-V287 PolarHBondContact O-N 3.41Å; L284-V287 WeakPolarHBondContact O-CB 3.23Å; L284-V287 PolarHBondContact O-N 2.82Å; Q285-V287 VanDerWaalsContact C-N 3.33Å; Q285-V287 PolarHBondContact O-N 2.94Å; V287-T291 WeakPolarHBondContact O-CB 3.32Å; V287-T291 PolarHBondContact O-N 2.98Å; V287-T291 PolarHBondContact O-OG1 3.42Å; V287-L311 HydrophobicContact CG1-CD1 3.82Å; V287-L311 HydrophobicContact CG1-CG 4.41Å; V287-K314 HydrophobicContact CG1-CB 4.19Å; V287-K314 HydrophobicContact CG1-CG 3.84Å; V287-L315 HydrophobicContact CG1-CB 4.23Å; V287-L315 HydrophobicContact CG2-CD1 4.02Å; V287-L324 HydrophobicContact CG2-CD1 3.69Å; V287-L324 HydrophobicContact CG2-CD2 4.19Å
288	L	97.9	Very high	94.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.9	-53.2	174.9	177.8	69.5	0	0	0	111.4	L246 L249 R256 F260 L284 Q285 T286 W290 T291 C292 W301 L311	L246-L288 HydrophobicContact CD2-CD2 4.12Å; L249-L288 HydrophobicContact CD1-CD2 3.67Å; L249-L288 HydrophobicContact CD2-CD2 4.11Å; R256-L288 HydrophobicContact CB-CD1 4.36Å; F260-L288 HydrophobicContact CB-CD2 3.77Å; F260-L288 HydrophobicContact CD1-CD2 4.47Å; F260-L288 HydrophobicContact CD2-CB 4.39Å; F260-L288 HydrophobicContact CD2-CD2 4.03Å; F260-L288 HydrophobicContact CG-CD2 3.84Å; L284-L288 PolarHBondContact O-N 3.48Å; Q285-L288 WeakPolarHBondContact O-CB 3.5Å; Q285-L288 PolarHBondContact O-N 3.01Å; Q285-L288 VanDerWaalsContact O-N 3.14Å; T286-L288 VanDerWaalsContact C-N 3.34Å; T286-L288 PolarHBondContact O-N 3.21Å; L288-W290 PolarHBondContact O-N 3.14Å; L288-T291 CarbonylContact O-C 3.48Å; L288-T291 WeakPolarHBondContact O-CA 3.44Å; L288-T291 WeakPolarHBondContact O-CB 3.5Å; L288-T291 PolarHBondContact O-N 2.98Å; L288-C292 PolarHBondContact O-N 3.31Å; L288-C292 PolarHBondContact O-SG 3.5Å; L288-W301 HydrophobicContact CD1-CH2 4.01Å; L288-W301 HydrophobicContact CD1-CZ3 4.29Å; L288-L311 HydrophobicContact CB-CD1 4.26Å; L288-L311 HydrophobicContact CD1-CD1 4.09Å; L288-L311 HydrophobicContact CD1-CD2 4.21Å
289	F	96.9	Very high	94.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-58.2	-46.5	-178.4	-64.9	-20.1	0	0	0	112.3	W210 E242 L245 L246 Q285 T286 T291 C292 E293 Y327	W210-F289 AromaticContact CH2-CD1 3.96Å; W210-F289 HydrophobicContact CH2-CD1 3.96Å; W210-F289 HydrophobicContact CZ3-CB 4.38Å; W210-F289 HydrophobicContact CZ3-CD1 4.42Å; E242-F289 HydrophobicContact CB-CE2 4.38Å; E242-F289 HydrophobicContact CG-CE2 4.15Å; L245-F289 HydrophobicContact CB-CE1 3.86Å; L245-F289 HydrophobicContact CB-CZ 3.75Å; L245-F289 HydrophobicContact CD1-CD2 4.41Å; L245-F289 HydrophobicContact CD1-CE1 4.43Å; L245-F289 HydrophobicContact CD1-CE2 4.01Å; L245-F289 HydrophobicContact CD1-CZ 4.02Å; L246-F289 HydrophobicContact CD2-CE1 3.92Å; L246-F289 HydrophobicContact CD2-CZ 4.25Å; L246-F289 HydrophobicContact CG-CE1 4.19Å; L246-F289 HydrophobicContact CG-CZ 4.1Å; Q285-F289 HydrophobicContact CG-CD2 4.43Å; Q285-F289 HydrophobicContact CG-CE1 4.16Å; Q285-F289 HydrophobicContact CG-CE2 3.85Å; Q285-F289 HydrophobicContact CG-CZ 3.7Å; Q285-F289 WeakPolarHBondContact O-CG 3.37Å; Q285-F289 PolarHBondContact O-N 2.97Å; T286-F289 PolarHBondContact O-N 3.43Å; F289-T291 PolarHBondContact O-N 3.46Å; F289-C292 WeakPolarHBondContact O-CB 3.47Å; F289-C292 PolarHBondContact O-N 3.16Å; F289-C292 VanDerWaalsContact O-N 3.12Å; F289-E293 WeakPolarHBondContact O-CG 3.34Å; F289-E293 PolarHBondContact O-N 3.21Å; F289-Y327 HydrophobicContact CB-CD1 4.22Å; F289-Y327 HydrophobicContact CB-CD2 3.51Å; F289-Y327 HydrophobicContact CB-CE1 4.23Å; F289-Y327 HydrophobicContact CB-CE2 3.52Å; F289-Y327 HydrophobicContact CB-CG 3.89Å; F289-Y327 AromaticContact CD2-CD1 3.66Å; F289-Y327 HydrophobicContact CD2-CD1 3.66Å; F289-Y327 HydrophobicContact CD2-CD2 4.36Å; F289-Y327 HydrophobicContact CD2-CE1 4.04Å; F289-Y327 AromaticContact CD2-CG 3.85Å; F289-Y327 HydrophobicContact CD2-CG 3.85Å; F289-Y327 HydrophobicContact CE2-CD1 4.38Å; F289-Y327 HydrophobicContact CG-CD1 4.31Å; F289-Y327 HydrophobicContact CG-CD2 4.42Å; F289-Y327 HydrophobicContact CG-CE1 4.35Å; F289-Y327 HydrophobicContact CG-CE2 4.47Å; F289-Y327 HydrophobicContact CG-CG 4.36Å
290	W	96.3	Very high	94.9	Very high	49 Å²	49	38.6 Å²	38.6	19%	0.186	18%	0.178	C	C	.	.	H	α-helix	trans	-63.3	-28.7	174.1	-77.8	117.8	0	0	0	113.9	P204 T286 L288 E293 K294 K325 Y327	P204-W290 HydrophobicContact CB-CH2 4.02Å; P204-W290 HydrophobicContact CB-CZ3 3.84Å; P204-W290 HydrophobicContact CG-CH2 3.78Å; P204-W290 HydrophobicContact CG-CZ2 4.45Å; P204-W290 HydrophobicContact CG-CZ3 3.91Å; T286-W290 PolarHBondContact O-N 2.86Å; T286-W290 VanDerWaalsContact O-N 3.07Å; L288-W290 PolarHBondContact O-N 3.14Å; W290-E293 HydrophobicContact CE3-CB 4.45Å; W290-E293 HydrophobicContact CE3-CG 4.35Å; W290-K294 PolarHBondContact O-N 3.37Å; W290-K325 HydrophobicContact CH2-CD 4.34Å; W290-K325 HydrophobicContact CZ2-CB 4.39Å; W290-K325 HydrophobicContact CZ2-CD 3.92Å; W290-K325 HydrophobicContact CZ2-CG 4.03Å; W290-K325 PolarHBondContact NE1-O 3.16Å; W290-Y327 HydrophobicContact CD2-CD2 4.31Å
291	T	96.1	Very high	95	Very high	4 Å²	4	36 Å²	36	3%	0.025	16%	0.162	C	C	.	.	H	α-helix	trans	-73.6	-37.7	175	-54.9	0	0	0	0	110.5	V287 L288 F289 K294 Y295 W301 L311	V287-T291 WeakPolarHBondContact O-CB 3.32Å; V287-T291 PolarHBondContact O-N 2.98Å; V287-T291 PolarHBondContact O-OG1 3.42Å; L288-T291 CarbonylContact O-C 3.48Å; L288-T291 WeakPolarHBondContact O-CA 3.44Å; L288-T291 WeakPolarHBondContact O-CB 3.5Å; L288-T291 PolarHBondContact O-N 2.98Å; F289-T291 PolarHBondContact O-N 3.46Å; T291-K294 PolarHBondContact O-N 3.07Å; T291-Y295 HydrophobicContact CG2-CD2 3.95Å; T291-Y295 HydrophobicContact CG2-CE2 4.49Å; T291-Y295 WeakPolarHBondContact O-CD2 3.45Å; T291-Y295 PolarHBondContact O-N 3.01Å; T291-W301 HydrophobicContact CG2-CH2 3.65Å; T291-W301 HydrophobicContact CG2-CZ2 3.8Å; T291-L311 HydrophobicContact CG2-CD1 4.23Å
292	C	95.1	Very high	95.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-65.1	-40.8	173.5	-61.1	0	0	0	0	112.3	W210 L288 F289 K294 Y295 P296	W210-C292 HydrophobicContact CD2-CB 3.44Å; W210-C292 VanDerWaalsContact CD2-CB 3.44Å; W210-C292 VanDerWaalsContact CE2-CB 3.44Å; W210-C292 HydrophobicContact CE3-CB 3.42Å; W210-C292 VanDerWaalsContact CE3-CB 3.42Å; W210-C292 HydrophobicContact CG-CB 4.25Å; W210-C292 HydrophobicContact CH2-CB 3.49Å; W210-C292 VanDerWaalsContact CH2-CB 3.49Å; W210-C292 HydrophobicContact CZ2-CB 3.5Å; W210-C292 VanDerWaalsContact CZ2-CB 3.5Å; W210-C292 HydrophobicContact CZ3-CB 3.45Å; W210-C292 VanDerWaalsContact CZ3-CB 3.45Å; L288-C292 PolarHBondContact O-N 3.31Å; L288-C292 PolarHBondContact O-SG 3.5Å; F289-C292 WeakPolarHBondContact O-CB 3.47Å; F289-C292 PolarHBondContact O-N 3.16Å; F289-C292 VanDerWaalsContact O-N 3.12Å; C292-K294 PolarHBondContact O-N 2.77Å; C292-Y295 CarbonylContact O-C 3.07Å; C292-Y295 PolarHBondContact O-N 3.41Å; C292-P296 VanDerWaalsContact O-CA 3.24Å; C292-P296 WeakPolarHBondContact O-CA 3.37Å; C292-P296 VanDerWaalsContact O-N 3.15Å
293	E	94.5	Very high	95	Very high	8 Å²	8	43.9 Å²	43.9	4%	0.037	20%	0.2	C	C	.	.	H	α-helix	trans	-58	-37.3	172.4	-69.5	-70.2	177.9	0	0	112.6	P204 C206 W210 F289 W290 Y327	P204-E293 HydrophobicContact CB-CG 4.23Å; P204-E293 HydrophobicContact CG-CG 4.38Å; C206-E293 WeakPolarHBondContact CB-OE2 3.44Å; W210-E293 HydrophobicContact CE3-CG 4.28Å; W210-E293 VanDerWaalsContact O-OE1 3.07Å; F289-E293 WeakPolarHBondContact O-CG 3.34Å; F289-E293 PolarHBondContact O-N 3.21Å; W290-E293 HydrophobicContact CE3-CB 4.45Å; W290-E293 HydrophobicContact CE3-CG 4.35Å; E293-Y327 HydrophobicContact CG-CE2 3.75Å; E293-Y327 WeakPolarHBondContact OE1-CE2 3.5Å; E293-Y327 PolarHBondContact OE1-OH 3.2Å
294	K	94	Very high	94.7	Very high	140 Å²	140	44.1 Å²	44.1	61%	0.609	20%	0.201	S	C	*	.	H	α-helix	trans	-78.8	-30.2	178.8	-172.7	174.9	175.6	-163.5	0	112.9	W290 T291 C292	W290-K294 PolarHBondContact O-N 3.37Å; T291-K294 PolarHBondContact O-N 3.07Å; C292-K294 PolarHBondContact O-N 2.77Å
295	Y	94.1	Very high	94.4	Very high	59 Å²	59	46.3 Å²	46.3	23%	0.231	22%	0.216	C	C	.	.	S	Bend	trans	-131	76.4	-176.4	-60.1	-80.6	0	0	0	108.7	T291 C292 H297 D300 W301 R310	T291-Y295 HydrophobicContact CG2-CD2 3.95Å; T291-Y295 HydrophobicContact CG2-CE2 4.49Å; T291-Y295 WeakPolarHBondContact O-CD2 3.45Å; T291-Y295 PolarHBondContact O-N 3.01Å; C292-Y295 CarbonylContact O-C 3.07Å; C292-Y295 PolarHBondContact O-N 3.41Å; Y295-H297 PolarHBondContact O-N 2.78Å; Y295-D300 HydrophobicContact CD1-CB 4.28Å; Y295-D300 HydrophobicContact CG-CB 4.42Å; Y295-W301 PolarHBondContact O-NE1 2.93Å; Y295-R310 VanDerWaalsContact CD2-CD 3.46Å; Y295-R310 HydrophobicContact CE2-CG 4.06Å
296	P	92.6	Very high	94.1	Very high	14 Å²	14	52.8 Å²	52.8	9%	0.091	24%	0.244	C	C	.	.			trans	-77	-24	-169.1	30	-36.5	0	0	0	113	Q208 W210 R256 C292	Q208-P296 HydrophobicContact CB-CG 3.7Å; W210-P296 HydrophobicContact CB-CB 3.71Å; W210-P296 HydrophobicContact CG-CB 4.4Å; R256-P296 PolarHBondContact NH2-O 3.46Å; R256-P296 VanDerWaalsContact NH2-O 3.07Å; C292-P296 VanDerWaalsContact O-CA 3.24Å; C292-P296 WeakPolarHBondContact O-CA 3.37Å; C292-P296 VanDerWaalsContact O-N 3.15Å
297	H	90.9	Very high	94	Very high	102 Å²	102	52.8 Å²	52.8	47%	0.472	24%	0.244	S	C	.	.	S	Bend	trans	-88	144.1	-169.3	-61.3	-63.7	0	0	0	113.7	Q208 Y295 K299 D300	Q208-H297 PolarHBondContact OE1-NE2 3.11Å; Y295-H297 PolarHBondContact O-N 2.78Å; H297-K299 PolarHBondContact O-N 3.17Å; H297-D300 WeakPolarHBondContact O-CB 3.49Å; H297-D300 PolarHBondContact O-N 3.23Å
298	F	91.7	Very high	93.8	Very high	87 Å²	87	53.2 Å²	53.2	38%	0.382	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-50.3	-35.7	176.2	109.6	-92.2	0	0	0	113.3	D252 D300 W301 K302	D252-F298 HydrophobicContact CB-CB 4.03Å; D252-F298 WeakPolarHBondContact OD2-CA 3.49Å; D252-F298 VanDerWaalsContact OD2-CB 3.31Å; D252-F298 WeakPolarHBondContact OD2-CB 3.48Å; D252-F298 PolarHBondContact OD2-N 2.84Å; F298-D300 PolarHBondContact O-N 3.18Å; F298-W301 CarbonylContact O-C 3.26Å; F298-W301 VanDerWaalsContact O-C 3.26Å; F298-W301 WeakPolarHBondContact O-CA 3.5Å; F298-W301 PolarHBondContact O-N 3.32Å; F298-K302 HydrophobicContact CE2-CB 4.26Å; F298-K302 HydrophobicContact CE2-CD 4.05Å; F298-K302 HydrophobicContact CE2-CG 4.27Å; F298-K302 PolarHBondContact O-N 2.89Å
299	K	93.3	Very high	93.7	Very high	166 Å²	166	55.1 Å²	55.1	72%	0.722	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-56.9	-35.2	-178.8	-65.6	-178	-177.9	176.6	0	112.1	H297 W301	H297-K299 PolarHBondContact O-N 3.17Å; K299-W301 PolarHBondContact O-N 2.91Å
300	D	94.3	Very high	93.6	Very high	50 Å²	50	57.3 Å²	57.3	27%	0.267	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-71.1	-20.5	177.5	-66.2	-55.1	0	0	0	112.8	Y295 H297 F298 R310	Y295-D300 HydrophobicContact CD1-CB 4.28Å; Y295-D300 HydrophobicContact CG-CB 4.42Å; H297-D300 WeakPolarHBondContact O-CB 3.49Å; H297-D300 PolarHBondContact O-N 3.23Å; F298-D300 PolarHBondContact O-N 3.18Å; D300-R310 VanDerWaalsContact O-CZ 3.27Å; D300-R310 PolarHBondContact O-NH1 2.88Å; D300-R310 PolarHBondContact O-NH2 3.16Å
301	W	95.5	Very high	93.7	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-115.1	15.6	-176.7	-57.3	93	0	0	0	112.6	C255 R256 L288 T291 Y295 F298 K299 A307	C255-W301 PolarHBondContact N-O 3.18Å; C255-W301 PolarHBondContact SG-O 3.4Å; R256-W301 HydrophobicContact CB-CD2 4.47Å; R256-W301 HydrophobicContact CB-CE3 4.13Å; R256-W301 HydrophobicContact CB-CZ3 4.31Å; R256-W301 HydrophobicContact CG-CB 4.26Å; R256-W301 HydrophobicContact CG-CD2 3.29Å; R256-W301 HydrophobicContact CG-CE3 3.38Å; R256-W301 HydrophobicContact CG-CG 3.69Å; R256-W301 HydrophobicContact CG-CH2 4.14Å; R256-W301 HydrophobicContact CG-CZ2 4.08Å; R256-W301 HydrophobicContact CG-CZ3 3.82Å; R256-W301 VanDerWaalsContact NH2-CD1 3.26Å; L288-W301 HydrophobicContact CD1-CH2 4.01Å; L288-W301 HydrophobicContact CD1-CZ3 4.29Å; T291-W301 HydrophobicContact CG2-CH2 3.65Å; T291-W301 HydrophobicContact CG2-CZ2 3.8Å; Y295-W301 PolarHBondContact O-NE1 2.93Å; F298-W301 CarbonylContact O-C 3.26Å; F298-W301 VanDerWaalsContact O-C 3.26Å; F298-W301 WeakPolarHBondContact O-CA 3.5Å; F298-W301 PolarHBondContact O-N 3.32Å; K299-W301 PolarHBondContact O-N 2.91Å; W301-A307 HydrophobicContact CD2-CB 4.47Å; W301-A307 HydrophobicContact CE3-CB 3.74Å; W301-A307 HydrophobicContact CZ3-CB 4.26Å
302	K	93.8	Very high	93.7	Very high	152 Å²	152	54.8 Å²	54.8	66%	0.661	25%	0.254	S	S	*	.	S	Bend	trans	-74.2	-37.7	177.6	-174	176.5	-178.6	177.6	0	112.5	F298	F298-K302 HydrophobicContact CE2-CB 4.26Å; F298-K302 HydrophobicContact CE2-CD 4.05Å; F298-K302 HydrophobicContact CE2-CG 4.27Å; F298-K302 PolarHBondContact O-N 2.89Å
303	V	92.6	Very high	93.8	Very high	68 Å²	68	61.4 Å²	61.4	41%	0.412	28%	0.279	S	S	.	.	S	Bend	trans	-106.6	108.7	-175.7	-177.9	0	0	0	0	109.8	S305 K306 A307	V303-S305 PolarHBondContact O-N 3.44Å; V303-K306 HydrophobicContact CB-CB 4.31Å; V303-K306 HydrophobicContact CB-CD 4.29Å; V303-K306 HydrophobicContact CB-CG 4.39Å; V303-K306 HydrophobicContact CG1-CB 4.26Å; V303-K306 HydrophobicContact CG1-CD 4.17Å; V303-K306 HydrophobicContact CG1-CG 3.98Å; V303-K306 PolarHBondContact O-N 3.03Å; V303-A307 WeakPolarHBondContact O-CB 3.33Å; V303-A307 PolarHBondContact O-N 2.76Å
304	F	90.3	Very high	94	Very high	22 Å²	22	64.4 Å²	64.4	10%	0.096	29%	0.292	C	S	.	.	H	α-helix	trans	-51.3	-55.4	-176.4	171.2	-103.3	0	0	0	113.2	E10 C255 K258 V262 K306 A307 F308	E10-F304 HydrophobicContact CG-CD1 3.85Å; E10-F304 HydrophobicContact CG-CE1 3.98Å; E10-F304 WeakPolarHBondContact OE1-CD1 3.46Å; E10-F304 WeakPolarHBondContact OE1-CG 3.42Å; C255-F304 VanDerWaalsContact SG-CA 3.55Å; K258-F304 HydrophobicContact CB-CD2 4.26Å; K258-F304 HydrophobicContact CB-CE2 4.33Å; K258-F304 HydrophobicContact CD-CD2 3.68Å; K258-F304 HydrophobicContact CD-CE2 4.06Å; K258-F304 HydrophobicContact CD-CG 4.21Å; K258-F304 HydrophobicContact CG-CD2 3.82Å; K258-F304 HydrophobicContact CG-CE2 3.74Å; V262-F304 HydrophobicContact CB-CZ 4.17Å; V262-F304 HydrophobicContact CG1-CZ 4.26Å; V262-F304 HydrophobicContact CG2-CE2 4.22Å; V262-F304 HydrophobicContact CG2-CZ 3.85Å; F304-K306 VanDerWaalsContact C-N 3.3Å; F304-K306 PolarHBondContact O-N 3.21Å; F304-A307 PolarHBondContact O-N 2.88Å; F304-A307 VanDerWaalsContact O-N 3.17Å; F304-F308 HydrophobicContact CE2-CB 4.17Å; F304-F308 HydrophobicContact CZ-CB 4.18Å; F304-F308 HydrophobicContact CZ-CG 4.23Å; F304-F308 VanDerWaalsContact O-CB 3.23Å; F304-F308 WeakPolarHBondContact O-CB 3.49Å; F304-F308 PolarHBondContact O-N 3.32Å
305	S	89.3	Confident	94.2	Very high	46 Å²	46	57.7 Å²	57.7	32%	0.322	26%	0.263	S	S	.	.	H	α-helix	trans	-56.2	-41.9	-177	58.7	0	0	0	0	113.3	V303 L309	V303-S305 PolarHBondContact O-N 3.44Å; S305-L309 WeakPolarHBondContact O-CB 3.47Å; S305-L309 VanDerWaalsContact O-CG 3.28Å; S305-L309 WeakPolarHBondContact O-CG 3.11Å; S305-L309 PolarHBondContact O-N 3.01Å; S305-L309 VanDerWaalsContact O-N 3.12Å
306	K	92	Very high	94.4	Very high	141 Å²	141	57.3 Å²	57.3	61%	0.613	26%	0.263	S	S	*	.	H	α-helix	trans	-69.9	-45.3	178.2	-67.5	-177.2	-179.7	178.8	0	111.7	V303 F304 R310	V303-K306 HydrophobicContact CB-CB 4.31Å; V303-K306 HydrophobicContact CB-CD 4.29Å; V303-K306 HydrophobicContact CB-CG 4.39Å; V303-K306 HydrophobicContact CG1-CB 4.26Å; V303-K306 HydrophobicContact CG1-CD 4.17Å; V303-K306 HydrophobicContact CG1-CG 3.98Å; V303-K306 PolarHBondContact O-N 3.03Å; F304-K306 VanDerWaalsContact C-N 3.3Å; F304-K306 PolarHBondContact O-N 3.21Å; K306-R310 WeakPolarHBondContact O-CB 3.29Å; K306-R310 PolarHBondContact O-N 3.48Å; K306-R310 VanDerWaalsContact O-N 3.12Å
307	A	95.1	Very high	94.6	Very high	0 Å²	0	62 Å²	62	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-65.7	-43.2	179.9	0	0	0	0	0	111.8	W301 V303 F304 R310 L311	W301-A307 HydrophobicContact CD2-CB 4.47Å; W301-A307 HydrophobicContact CE3-CB 3.74Å; W301-A307 HydrophobicContact CZ3-CB 4.26Å; V303-A307 WeakPolarHBondContact O-CB 3.33Å; V303-A307 PolarHBondContact O-N 2.76Å; F304-A307 PolarHBondContact O-N 2.88Å; F304-A307 VanDerWaalsContact O-N 3.17Å; A307-R310 VanDerWaalsContact O-CB 3.29Å; A307-R310 WeakPolarHBondContact O-CB 3.44Å; A307-R310 PolarHBondContact O-N 3.38Å; A307-L311 PolarHBondContact O-N 3.26Å; A307-L311 VanDerWaalsContact O-N 3.09Å
308	F	94.7	Very high	95	Very high	10 Å²	10	57.5 Å²	57.5	4%	0.044	26%	0.262	C	S	.	.	H	α-helix	trans	-62.7	-50.3	177.2	177.7	-107.6	0	0	0	111.8	C259 V262 M263 L266 W271 F304 R310 L311 V312 F353	C259-F308 HydrophobicContact CB-CB 4.5Å; C259-F308 HydrophobicContact CB-CD2 4.35Å; V262-F308 HydrophobicContact CB-CD2 4.45Å; V262-F308 HydrophobicContact CB-CE2 4.19Å; V262-F308 HydrophobicContact CG1-CD2 4.3Å; V262-F308 HydrophobicContact CG1-CE1 4.46Å; V262-F308 HydrophobicContact CG1-CE2 3.82Å; V262-F308 HydrophobicContact CG1-CZ 3.94Å; M263-F308 HydrophobicContact CB-CE2 3.95Å; L266-F308 HydrophobicContact CD1-CE1 4.02Å; L266-F308 HydrophobicContact CD1-CE2 4.37Å; L266-F308 HydrophobicContact CD1-CZ 3.44Å; L266-F308 VanDerWaalsContact CD1-CZ 3.44Å; W271-F308 HydrophobicContact CH2-CZ 4.25Å; F304-F308 HydrophobicContact CE2-CB 4.17Å; F304-F308 HydrophobicContact CZ-CB 4.18Å; F304-F308 HydrophobicContact CZ-CG 4.23Å; F304-F308 VanDerWaalsContact O-CB 3.23Å; F304-F308 WeakPolarHBondContact O-CB 3.49Å; F304-F308 PolarHBondContact O-N 3.32Å; F308-R310 PolarHBondContact O-N 3.25Å; F308-L311 WeakPolarHBondContact O-CA 3.19Å; F308-L311 WeakPolarHBondContact O-CB 3.48Å; F308-L311 PolarHBondContact O-N 2.81Å; F308-V312 HydrophobicContact CD1-CG2 4.33Å; F308-V312 HydrophobicContact CD2-CG2 4.44Å; F308-V312 HydrophobicContact CE1-CG2 3.74Å; F308-V312 HydrophobicContact CE2-CG2 3.87Å; F308-V312 HydrophobicContact CZ-CG2 3.44Å; F308-V312 VanDerWaalsContact CZ-CG2 3.44Å; F308-V312 WeakPolarHBondContact O-CG2 3.4Å; F308-V312 PolarHBondContact O-N 3.47Å; F308-F353 HydrophobicContact CE1-CE1 4.07Å; F308-F353 AromaticContact CE1-CZ 3.93Å; F308-F353 HydrophobicContact CE1-CZ 3.93Å
309	L	94.2	Very high	95.2	Very high	39 Å²	39	53.3 Å²	53.3	20%	0.204	24%	0.244	C	C	.	.	H	α-helix	trans	-60.2	-32.9	176.8	-73.6	175.4	0	0	0	112.5	S305 V312 R313 F353 L354 P357	S305-L309 WeakPolarHBondContact O-CB 3.47Å; S305-L309 VanDerWaalsContact O-CG 3.28Å; S305-L309 WeakPolarHBondContact O-CG 3.11Å; S305-L309 PolarHBondContact O-N 3.01Å; S305-L309 VanDerWaalsContact O-N 3.12Å; L309-V312 PolarHBondContact O-N 3.37Å; L309-R313 WeakPolarHBondContact O-CB 3.21Å; L309-R313 VanDerWaalsContact O-CG 3.27Å; L309-R313 WeakPolarHBondContact O-CG 3.35Å; L309-R313 PolarHBondContact O-N 3.38Å; L309-F353 HydrophobicContact CD2-CE1 4.35Å; L309-L354 HydrophobicContact CD2-CD2 4.34Å; L309-P357 HydrophobicContact CD2-CB 4.22Å; L309-P357 HydrophobicContact CD2-CG 4.1Å
310	R	96.4	Very high	95.4	Very high	46 Å²	46	47.9 Å²	47.9	17%	0.174	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-43.9	174	-169.1	-171.5	-52.3	133.8	-1.4	111.5	Y295 D300 K306 A307 F308 R313 K314	Y295-R310 VanDerWaalsContact CD2-CD 3.46Å; Y295-R310 HydrophobicContact CE2-CG 4.06Å; D300-R310 VanDerWaalsContact O-CZ 3.27Å; D300-R310 PolarHBondContact O-NH1 2.88Å; D300-R310 PolarHBondContact O-NH2 3.16Å; K306-R310 WeakPolarHBondContact O-CB 3.29Å; K306-R310 PolarHBondContact O-N 3.48Å; K306-R310 VanDerWaalsContact O-N 3.12Å; A307-R310 VanDerWaalsContact O-CB 3.29Å; A307-R310 WeakPolarHBondContact O-CB 3.44Å; A307-R310 PolarHBondContact O-N 3.38Å; F308-R310 PolarHBondContact O-N 3.25Å; R310-R313 PolarHBondContact O-N 3.36Å; R310-K314 PolarHBondContact O-N 3.47Å
311	L	96.8	Very high	95.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.4	-44.7	177.6	-166.8	66.1	0	0	0	111.2	C259 M263 V287 L288 T291 A307 F308 R313 K314 L315	C259-L311 HydrophobicContact CB-CD2 4.09Å; M263-L311 HydrophobicContact CB-CD2 4.31Å; M263-L311 HydrophobicContact CE-CD1 4.19Å; M263-L311 HydrophobicContact CE-CD2 3.41Å; M263-L311 VanDerWaalsContact CE-CD2 3.41Å; M263-L311 HydrophobicContact CE-CG 3.66Å; M263-L311 HydrophobicContact SD-CB 4.41Å; M263-L311 HydrophobicContact SD-CD2 3.54Å; M263-L311 VanDerWaalsContact SD-CD2 3.54Å; M263-L311 HydrophobicContact SD-CG 3.5Å; M263-L311 WeakPolarHBondContact SD-CG 3.46Å; V287-L311 HydrophobicContact CG1-CD1 3.82Å; V287-L311 HydrophobicContact CG1-CG 4.41Å; L288-L311 HydrophobicContact CB-CD1 4.26Å; L288-L311 HydrophobicContact CD1-CD1 4.09Å; L288-L311 HydrophobicContact CD1-CD2 4.21Å; T291-L311 HydrophobicContact CG2-CD1 4.23Å; A307-L311 PolarHBondContact O-N 3.26Å; A307-L311 VanDerWaalsContact O-N 3.09Å; F308-L311 WeakPolarHBondContact O-CA 3.19Å; F308-L311 WeakPolarHBondContact O-CB 3.48Å; F308-L311 PolarHBondContact O-N 2.81Å; L311-R313 PolarHBondContact O-N 3.36Å; L311-K314 WeakPolarHBondContact O-CB 3.25Å; L311-K314 PolarHBondContact O-N 3.24Å; L311-K314 VanDerWaalsContact O-N 3.16Å; L311-L315 PolarHBondContact O-N 3.08Å
312	V	96.9	Very high	95.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-41	176.5	-178.3	0	0	0	0	112	W271 F308 L309 K314 L315 H316 L350 F353 L354	W271-V312 HydrophobicContact CH2-CG1 4.27Å; W271-V312 HydrophobicContact CH2-CG2 3.84Å; W271-V312 HydrophobicContact CZ2-CG1 4.29Å; W271-V312 HydrophobicContact CZ2-CG2 4.39Å; F308-V312 HydrophobicContact CD1-CG2 4.33Å; F308-V312 HydrophobicContact CD2-CG2 4.44Å; F308-V312 HydrophobicContact CE1-CG2 3.74Å; F308-V312 HydrophobicContact CE2-CG2 3.87Å; F308-V312 HydrophobicContact CZ-CG2 3.44Å; F308-V312 VanDerWaalsContact CZ-CG2 3.44Å; F308-V312 WeakPolarHBondContact O-CG2 3.4Å; F308-V312 PolarHBondContact O-N 3.47Å; L309-V312 PolarHBondContact O-N 3.37Å; V312-K314 VanDerWaalsContact C-N 3.31Å; V312-K314 PolarHBondContact O-N 2.82Å; V312-L315 PolarHBondContact O-N 2.99Å; V312-H316 WeakPolarHBondContact O-CB 3.35Å; V312-H316 PolarHBondContact O-N 3.48Å; V312-L350 HydrophobicContact CG1-CD2 3.99Å; V312-F353 HydrophobicContact CG1-CD1 3.84Å; V312-F353 HydrophobicContact CG1-CE1 4.1Å; V312-F353 HydrophobicContact CG2-CE1 4.22Å; V312-L354 HydrophobicContact CB-CD2 4.16Å; V312-L354 HydrophobicContact CG1-CD1 4.45Å; V312-L354 HydrophobicContact CG1-CD2 3.82Å; V312-L354 HydrophobicContact CG1-CG 4.05Å
313	R	97.8	Very high	95.7	Very high	140 Å²	140	51.4 Å²	51.4	53%	0.528	24%	0.242	S	C	.	.	H	α-helix	trans	-61.8	-39.1	173.9	-73.3	178.3	-166.2	117.7	-2.2	112.1	L309 R310 L311 K317 L354	L309-R313 WeakPolarHBondContact O-CB 3.21Å; L309-R313 VanDerWaalsContact O-CG 3.27Å; L309-R313 WeakPolarHBondContact O-CG 3.35Å; L309-R313 PolarHBondContact O-N 3.38Å; R310-R313 PolarHBondContact O-N 3.36Å; L311-R313 PolarHBondContact O-N 3.36Å; R313-K317 WeakPolarHBondContact O-CB 3.46Å; R313-K317 PolarHBondContact O-N 2.8Å; R313-L354 HydrophobicContact CG-CD1 4.02Å; R313-L354 HydrophobicContact CG-CD2 3.66Å
314	K	98	Very high	95.9	Very high	70 Å²	70	48.2 Å²	48.2	30%	0.304	22%	0.223	S	C	.	.	H	α-helix	trans	-66	-44.3	176.2	177.5	61.7	177.6	173.4	0	111.1	V287 R310 L311 V312 K317 C318	V287-K314 HydrophobicContact CG1-CB 4.19Å; V287-K314 HydrophobicContact CG1-CG 3.84Å; R310-K314 PolarHBondContact O-N 3.47Å; L311-K314 WeakPolarHBondContact O-CB 3.25Å; L311-K314 PolarHBondContact O-N 3.24Å; L311-K314 VanDerWaalsContact O-N 3.16Å; V312-K314 VanDerWaalsContact C-N 3.31Å; V312-K314 PolarHBondContact O-N 2.82Å; K314-K317 PolarHBondContact O-N 2.88Å; K314-C318 PolarHBondContact O-N 3.38Å
315	L	98	Very high	96.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-57.7	-53.4	174.2	178.8	63.1	0	0	0	110.8	M263 W271 I279 L284 V287 L311 V312 K317 C318 V319 L350	M263-L315 HydrophobicContact SD-CD2 4.21Å; W271-L315 HydrophobicContact CE3-CD2 4.31Å; W271-L315 HydrophobicContact CZ3-CD2 4.11Å; I279-L315 HydrophobicContact CD1-CD1 4.32Å; L284-L315 HydrophobicContact CD2-CD1 3.85Å; L284-L315 HydrophobicContact CD2-CD2 3.6Å; L284-L315 HydrophobicContact CD2-CG 4.37Å; V287-L315 HydrophobicContact CG1-CB 4.23Å; V287-L315 HydrophobicContact CG2-CD1 4.02Å; L311-L315 PolarHBondContact O-N 3.08Å; V312-L315 PolarHBondContact O-N 2.99Å; L315-K317 VanDerWaalsContact C-N 3.3Å; L315-K317 PolarHBondContact O-N 2.98Å; L315-C318 PolarHBondContact O-N 3.49Å; L315-C318 VanDerWaalsContact O-N 3.08Å; L315-V319 HydrophobicContact CD1-CG2 3.91Å; L315-V319 HydrophobicContact CG-CG2 4.22Å; L315-V319 VanDerWaalsContact O-CG2 3.29Å; L315-V319 WeakPolarHBondContact O-CG2 3.43Å; L315-V319 PolarHBondContact O-N 2.84Å; L315-L350 HydrophobicContact CD2-CD1 4.03Å; L315-L350 HydrophobicContact CD2-CD2 3.98Å; L315-L350 HydrophobicContact CG-CD1 3.9Å
316	H	97.9	Very high	96.4	Very high	50 Å²	50	48.6 Å²	48.6	23%	0.231	22%	0.219	C	C	.	.	H	α-helix	trans	-51.8	-49	177.1	174.6	-99.8	0	0	0	111.4	V312 C318 V319 S320 A347 L350 L354	V312-H316 WeakPolarHBondContact O-CB 3.35Å; V312-H316 PolarHBondContact O-N 3.48Å; H316-C318 PolarHBondContact O-N 2.57Å; H316-V319 PolarHBondContact O-N 3.36Å; H316-S320 PolarHBondContact CE1-OG 3.47Å; H316-S320 PolarHBondContact NE2-OG 3.18Å; H316-S320 WeakPolarHBondContact O-CB 3.49Å; H316-S320 PolarHBondContact O-N 3.39Å; H316-S320 PolarHBondContact O-OG 3.26Å; H316-A347 PolarHBondContact CD2-O 3.01Å; H316-A347 VanDerWaalsContact CD2-O 3.29Å; H316-L350 HydrophobicContact CB-CB 4.13Å; H316-L350 HydrophobicContact CB-CD1 4.4Å; H316-L354 HydrophobicContact CB-CD1 3.92Å
317	K	98.1	Very high	96.6	Very high	114 Å²	114	42 Å²	42	50%	0.496	19%	0.19	S	C	.	.	H	α-helix	trans	-56.9	-47.6	177.4	-179.5	175.1	179.3	174.2	0	112.4	R313 K314 L315 Q321	R313-K317 WeakPolarHBondContact O-CB 3.46Å; R313-K317 PolarHBondContact O-N 2.8Å; K314-K317 PolarHBondContact O-N 2.88Å; L315-K317 VanDerWaalsContact C-N 3.3Å; L315-K317 PolarHBondContact O-N 2.98Å; K317-Q321 WeakPolarHBondContact O-CB 3.21Å; K317-Q321 WeakPolarHBondContact O-CG 3.38Å; K317-Q321 PolarHBondContact O-N 2.97Å
318	C	97.9	Very high	96.6	Very high	6 Å²	6	42 Å²	42	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-41	-179.7	-75.4	0	0	0	0	112.2	K314 L315 H316 Q321 H322 F323 L324 F335	K314-C318 PolarHBondContact O-N 3.38Å; L315-C318 PolarHBondContact O-N 3.49Å; L315-C318 VanDerWaalsContact O-N 3.08Å; H316-C318 PolarHBondContact O-N 2.57Å; C318-Q321 PolarHBondContact O-N 3.06Å; C318-H322 PolarHBondContact O-N 3.4Å; C318-F323 WeakPolarHBondContact CA-O 3.41Å; C318-F323 WeakPolarHBondContact CB-O 3.4Å; C318-F323 PolarHBondContact O-N 3.05Å; C318-L324 HydrophobicContact CB-CB 4.39Å; C318-L324 HydrophobicContact CB-CD1 4.24Å; C318-F335 HydrophobicContact CB-CE2 4.24Å
319	V	97	Very high	96.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.8	-48.1	178.7	179	0	0	0	0	110.6	I279 L315 H316 Q321 H322 F335 L343 V346 A347 L350	I279-V319 HydrophobicContact CD1-CG1 4.38Å; I279-V319 HydrophobicContact CD1-CG2 3.42Å; I279-V319 VanDerWaalsContact CD1-CG2 3.42Å; L315-V319 HydrophobicContact CD1-CG2 3.91Å; L315-V319 HydrophobicContact CG-CG2 4.22Å; L315-V319 VanDerWaalsContact O-CG2 3.29Å; L315-V319 WeakPolarHBondContact O-CG2 3.43Å; L315-V319 PolarHBondContact O-N 2.84Å; H316-V319 PolarHBondContact O-N 3.36Å; V319-Q321 PolarHBondContact O-N 2.99Å; V319-H322 PolarHBondContact O-CD2 2.96Å; V319-H322 PolarHBondContact O-N 3.3Å; V319-F335 HydrophobicContact CG2-CE2 4.05Å; V319-F335 HydrophobicContact CG2-CZ 4.02Å; V319-L343 HydrophobicContact CG1-CB 4.2Å; V319-L343 HydrophobicContact CG1-CD2 4.05Å; V319-L343 WeakPolarHBondContact CG1-O 3.31Å; V319-V346 HydrophobicContact CG1-CB 4.45Å; V319-A347 HydrophobicContact CG1-CB 3.93Å; V319-L350 HydrophobicContact CG2-CD1 4.27Å
320	S	96.8	Very high	96	Very high	52 Å²	52	43.8 Å²	43.8	36%	0.364	19%	0.194	S	C	.	.	H	α-helix	trans	-62.7	-23.3	178.2	-57.8	0	0	0	0	114.1	H316	H316-S320 PolarHBondContact CE1-OG 3.47Å; H316-S320 PolarHBondContact NE2-OG 3.18Å; H316-S320 WeakPolarHBondContact O-CB 3.49Å; H316-S320 PolarHBondContact O-N 3.39Å; H316-S320 PolarHBondContact O-OG 3.26Å
321	Q	96.9	Very high	95.5	Very high	113 Å²	113	48.6 Å²	48.6	53%	0.528	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.7	177.5	-67.9	-177.7	-36.5	0	0	112.6	K317 C318 V319 F323	K317-Q321 WeakPolarHBondContact O-CB 3.21Å; K317-Q321 WeakPolarHBondContact O-CG 3.38Å; K317-Q321 PolarHBondContact O-N 2.97Å; C318-Q321 PolarHBondContact O-N 3.06Å; V319-Q321 PolarHBondContact O-N 2.99Å; Q321-F323 HydrophobicContact CB-CB 4.26Å; Q321-F323 PolarHBondContact O-N 3.08Å
322	H	96.4	Very high	95.2	Very high	61 Å²	61	48.7 Å²	48.7	28%	0.282	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	33.6	-169.4	-51	147.2	0	0	0	112.6	C318 V319 N333 F335 L343 D344	C318-H322 PolarHBondContact O-N 3.4Å; V319-H322 PolarHBondContact O-CD2 2.96Å; V319-H322 PolarHBondContact O-N 3.3Å; H322-N333 PolarHBondContact O-ND2 2.68Å; H322-F335 WeakPolarHBondContact O-CB 3.39Å; H322-L343 HydrophobicContact CB-CD1 4.29Å; H322-D344 IonicContact CD2-OD1 3.11Å; H322-D344 IonicContact CE1-OD1 3.91Å; H322-D344 PolarHBondContact CE1-OD1 2.85Å; H322-D344 IonicContact CE1-OD2 3.75Å; H322-D344 IonicContact NE2-OD1 2.82Å; H322-D344 PolarHBondContact NE2-OD1 3.38Å; H322-D344 IonicContact NE2-OD2 3.41Å
323	F	96.5	Very high	95	Very high	101 Å²	101	49.9 Å²	49.9	44%	0.443	23%	0.23	S	C	.	.			trans	-139.2	111.7	-172.5	-170.5	-95.3	0	0	0	112.6	C318 Q321 K325 N333	C318-F323 WeakPolarHBondContact CA-O 3.41Å; C318-F323 WeakPolarHBondContact CB-O 3.4Å; C318-F323 PolarHBondContact O-N 3.05Å; Q321-F323 HydrophobicContact CB-CB 4.26Å; Q321-F323 PolarHBondContact O-N 3.08Å; F323-K325 HydrophobicContact CE1-CB 3.91Å; F323-K325 HydrophobicContact CZ-CB 4.14Å; F323-N333 WeakPolarHBondContact CA-OD1 3.45Å; F323-N333 HydrophobicContact CD2-CB 3.97Å; F323-N333 HydrophobicContact CE2-CB 3.89Å
324	L	96.6	Very high	94.8	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	21%	0.212	C	C	.	.			trans	-130.5	100.7	170.7	179.2	61.5	0	0	0	109.4	H283 T286 V287 C318 H326 N333 L334 F335	H283-L324 HydrophobicContact CB-CD2 3.81Å; T286-L324 HydrophobicContact CG2-CD1 3.94Å; T286-L324 HydrophobicContact CG2-CD2 4.33Å; T286-L324 HydrophobicContact CG2-CG 4.05Å; V287-L324 HydrophobicContact CG2-CD1 3.69Å; V287-L324 HydrophobicContact CG2-CD2 4.19Å; C318-L324 HydrophobicContact CB-CB 4.39Å; C318-L324 HydrophobicContact CB-CD1 4.24Å; L324-H326 PolarHBondContact O-N 3.47Å; L324-N333 PolarHBondContact N-OD1 3.02Å; L324-N333 PolarHBondContact O-OD1 2.81Å; L324-L334 HydrophobicContact CB-CB 4.3Å; L324-L334 HydrophobicContact CD2-CB 4.33Å; L324-L334 HydrophobicContact CD2-CD1 4.04Å; L324-L334 HydrophobicContact CG-CB 4.35Å; L324-L334 HydrophobicContact CG-CD1 4.19Å; L324-L334 WeakPolarHBondContact O-CB 3.29Å; L324-L334 PolarHBondContact O-N 2.9Å; L324-F335 HydrophobicContact CB-CD2 3.59Å; L324-F335 HydrophobicContact CB-CE2 3.54Å; L324-F335 HydrophobicContact CB-CG 4.21Å; L324-F335 HydrophobicContact CB-CZ 4.12Å; L324-F335 HydrophobicContact CD2-CE1 4.46Å; L324-F335 HydrophobicContact CD2-CE2 4.23Å; L324-F335 HydrophobicContact CD2-CZ 3.99Å
325	K	94.9	Very high	94.6	Very high	70 Å²	70	41.4 Å²	41.4	30%	0.304	20%	0.199	S	C	.	.	B	Isolated β-bridge	trans	-61.5	129.4	176.9	-173.7	173.8	-179.1	160.7	0	111.1	T286 W290 F323 R330 S332	T286-K325 WeakPolarHBondContact CG2-O 3.49Å; W290-K325 HydrophobicContact CH2-CD 4.34Å; W290-K325 HydrophobicContact CZ2-CB 4.39Å; W290-K325 HydrophobicContact CZ2-CD 3.92Å; W290-K325 HydrophobicContact CZ2-CG 4.03Å; W290-K325 PolarHBondContact NE1-O 3.16Å; F323-K325 HydrophobicContact CE1-CB 3.91Å; F323-K325 HydrophobicContact CZ-CB 4.14Å; K325-R330 VanDerWaalsContact CE-CA 3.49Å; K325-R330 WeakPolarHBondContact CE-O 3.19Å; K325-S332 WeakPolarHBondContact CA-O 3.27Å
326	H	95.6	Very high	94.1	Very high	6 Å²	6	46 Å²	46	3%	0.028	22%	0.22	C	C	.	.			trans	-58.9	141.4	172.6	-173.5	-86.6	0	0	0	110.5	F238 L324 F328 V329 S332 L334	F238-H326 AromaticContact CD2-CE1 3.91Å; L324-H326 PolarHBondContact O-N 3.47Å; H326-F328 PolarHBondContact ND1-N 3.02Å; H326-V329 HydrophobicContact CB-CB 4.38Å; H326-V329 PolarHBondContact ND1-N 2.91Å; H326-V329 VanDerWaalsContact ND1-N 3.16Å; H326-S332 PolarHBondContact N-O 3.26Å; H326-L334 HydrophobicContact CB-CD2 4.41Å; H326-L334 HydrophobicContact CB-CG 4.33Å
327	Y	95.6	Very high	93.4	Very high	3 Å²	3	47.6 Å²	47.6	1%	0.012	24%	0.236	C	C	.	.	S	Bend	trans	-64	-46.3	-171.4	-175.5	-118.5	0	0	0	112.7	W203 P204 L245 F289 W290 E293	W203-Y327 HydrophobicContact CZ2-CE1 4.15Å; P204-Y327 HydrophobicContact CG-CD2 3.95Å; P204-Y327 HydrophobicContact CG-CE2 3.56Å; L245-Y327 HydrophobicContact CD1-CD1 4.4Å; L245-Y327 HydrophobicContact CD1-CE1 3.71Å; F289-Y327 HydrophobicContact CB-CD1 4.22Å; F289-Y327 HydrophobicContact CB-CD2 3.51Å; F289-Y327 HydrophobicContact CB-CE1 4.23Å; F289-Y327 HydrophobicContact CB-CE2 3.52Å; F289-Y327 HydrophobicContact CB-CG 3.89Å; F289-Y327 AromaticContact CD2-CD1 3.66Å; F289-Y327 HydrophobicContact CD2-CD1 3.66Å; F289-Y327 HydrophobicContact CD2-CD2 4.36Å; F289-Y327 HydrophobicContact CD2-CE1 4.04Å; F289-Y327 AromaticContact CD2-CG 3.85Å; F289-Y327 HydrophobicContact CD2-CG 3.85Å; F289-Y327 HydrophobicContact CE2-CD1 4.38Å; F289-Y327 HydrophobicContact CG-CD1 4.31Å; F289-Y327 HydrophobicContact CG-CD2 4.42Å; F289-Y327 HydrophobicContact CG-CE1 4.35Å; F289-Y327 HydrophobicContact CG-CE2 4.47Å; F289-Y327 HydrophobicContact CG-CG 4.36Å; W290-Y327 HydrophobicContact CD2-CD2 4.31Å; E293-Y327 HydrophobicContact CG-CE2 3.75Å; E293-Y327 WeakPolarHBondContact OE1-CE2 3.5Å; E293-Y327 PolarHBondContact OE1-OH 3.2Å
328	F	94.8	Very high	93	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-93.9	-21.2	-179.3	-56.4	-62.1	0	0	0	114.6	W197 A201 R202 W203 F238 A241 E242 L245 H326	W197-F328 AromaticContact CH2-CD1 3.93Å; W197-F328 HydrophobicContact CH2-CD1 3.93Å; W197-F328 HydrophobicContact CH2-CD2 4.38Å; W197-F328 AromaticContact CH2-CE1 4Å; W197-F328 HydrophobicContact CH2-CE1 4Å; W197-F328 HydrophobicContact CH2-CE2 4.44Å; W197-F328 HydrophobicContact CH2-CG 4.12Å; W197-F328 HydrophobicContact CH2-CZ 4.24Å; W197-F328 HydrophobicContact CZ2-CB 4.18Å; W197-F328 AromaticContact CZ2-CD1 3.71Å; W197-F328 HydrophobicContact CZ2-CD1 3.71Å; W197-F328 HydrophobicContact CZ2-CE1 4.2Å; W197-F328 AromaticContact CZ2-CG 3.92Å; W197-F328 HydrophobicContact CZ2-CG 3.92Å; A201-F328 CarbonylContact C-O 3.4Å; A201-F328 VanDerWaalsContact CA-O 3.31Å; A201-F328 WeakPolarHBondContact CA-O 3.39Å; A201-F328 HydrophobicContact CB-CB 4.17Å; R202-F328 PolarHBondContact N-O 3.16Å; R202-F328 VanDerWaalsContact O-O 3.12Å; W203-F328 HydrophobicContact CD2-CE1 4.4Å; W203-F328 HydrophobicContact CE3-CD1 4.2Å; W203-F328 AromaticContact CE3-CE1 3.78Å; W203-F328 HydrophobicContact CE3-CE1 3.78Å; W203-F328 AromaticContact CH2-CE1 3.82Å; W203-F328 HydrophobicContact CH2-CE1 3.82Å; W203-F328 HydrophobicContact CH2-CZ 4.39Å; W203-F328 HydrophobicContact CZ2-CE1 4.37Å; W203-F328 HydrophobicContact CZ3-CD1 4.33Å; W203-F328 AromaticContact CZ3-CE1 3.49Å; W203-F328 HydrophobicContact CZ3-CE1 3.49Å; W203-F328 VanDerWaalsContact CZ3-CE1 3.49Å; W203-F328 HydrophobicContact CZ3-CZ 4.28Å; F238-F328 HydrophobicContact CB-CD2 3.65Å; F238-F328 HydrophobicContact CB-CE2 3.57Å; F238-F328 HydrophobicContact CD1-CD2 4.15Å; F238-F328 HydrophobicContact CD2-CB 4.3Å; F238-F328 AromaticContact CD2-CD2 3.66Å; F238-F328 HydrophobicContact CD2-CD2 3.66Å; F238-F328 HydrophobicContact CD2-CE2 4.46Å; F238-F328 HydrophobicContact CD2-CG 4.36Å; F238-F328 HydrophobicContact CE2-CB 4.2Å; F238-F328 HydrophobicContact CE2-CD2 4.39Å; F238-F328 AromaticContact CG-CD2 3.53Å; F238-F328 HydrophobicContact CG-CD2 3.53Å; F238-F328 AromaticContact CG-CE2 3.96Å; F238-F328 HydrophobicContact CG-CE2 3.96Å; F238-F328 HydrophobicContact CG-CG 4.32Å; F238-F328 HydrophobicContact CZ-CB 4.47Å; A241-F328 HydrophobicContact CB-CE2 4.48Å; A241-F328 HydrophobicContact CB-CZ 4.26Å; E242-F328 HydrophobicContact CG-CE2 4.04Å; L245-F328 HydrophobicContact CD1-CE1 4.38Å; L245-F328 HydrophobicContact CD1-CZ 3.84Å; H326-F328 PolarHBondContact ND1-N 3.02Å
329	V	93.1	Very high	92.7	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.018	24%	0.236	C	C	.	.			trans	-120.6	100.7	-167.3	179.8	0	0	0	0	108.9	G109 L110 A201 L236 F238 H326 N331 S332	G109-V329 WeakPolarHBondContact O-CG1 3.49Å; L110-V329 HydrophobicContact CD2-CB 3.79Å; L110-V329 HydrophobicContact CD2-CG1 4.17Å; L110-V329 HydrophobicContact CD2-CG2 3.62Å; L110-V329 HydrophobicContact CG-CB 4.46Å; L110-V329 HydrophobicContact CG-CG1 4.43Å; A201-V329 HydrophobicContact CB-CG2 4.19Å; L236-V329 HydrophobicContact CD1-CG2 4.44Å; F238-V329 HydrophobicContact CE2-CG2 3.98Å; F238-V329 HydrophobicContact CZ-CG2 4.42Å; H326-V329 HydrophobicContact CB-CB 4.38Å; H326-V329 PolarHBondContact ND1-N 2.91Å; H326-V329 VanDerWaalsContact ND1-N 3.16Å; V329-N331 VanDerWaalsContact C-N 3.26Å; V329-N331 PolarHBondContact O-N 3.12Å; V329-N331 VanDerWaalsContact O-N 3.16Å; V329-S332 PolarHBondContact O-N 3.09Å
330	R	84.9	Confident	92.5	Very high	83 Å²	83	49.6 Å²	49.6	31%	0.313	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.5	-161.9	-66.2	-178.8	179.6	-170.6	-0.6	114.7	W203 K325	W203-R330 PolarHBondContact O-NH2 3.12Å; K325-R330 VanDerWaalsContact CE-CA 3.49Å; K325-R330 WeakPolarHBondContact CE-O 3.19Å
331	N	84.3	Confident	92.4	Very high	148 Å²	148	53.3 Å²	53.3	79%	0.791	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	7.9	-174.3	-60.5	-12.8	0	0	0	112.4	V329	V329-N331 VanDerWaalsContact C-N 3.26Å; V329-N331 PolarHBondContact O-N 3.12Å; V329-N331 VanDerWaalsContact O-N 3.16Å
332	S	90.6	Very high	92.2	Very high	2 Å²	2	52.1 Å²	52.1	1%	0.014	27%	0.265	C	S	.	.			trans	-104.3	127	178.1	174.2	0	0	0	0	110.9	L110 K325 H326 V329	L110-S332 WeakPolarHBondContact CD1-OG 3.43Å; L110-S332 WeakPolarHBondContact CG-OG 3.28Å; K325-S332 WeakPolarHBondContact CA-O 3.27Å; H326-S332 PolarHBondContact N-O 3.26Å; V329-S332 PolarHBondContact O-N 3.09Å
333	N	93.4	Very high	92.1	Very high	25 Å²	25	49.3 Å²	49.3	13%	0.134	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-103.1	115	168.7	174.9	20	0	0	0	109.1	H322 F323 L324 F335 Q336	H322-N333 PolarHBondContact O-ND2 2.68Å; F323-N333 WeakPolarHBondContact CA-OD1 3.45Å; F323-N333 HydrophobicContact CD2-CB 3.97Å; F323-N333 HydrophobicContact CE2-CB 3.89Å; L324-N333 PolarHBondContact N-OD1 3.02Å; L324-N333 PolarHBondContact O-OD1 2.81Å; N333-F335 PolarHBondContact O-N 3Å; N333-F335 VanDerWaalsContact O-N 3.15Å; N333-F335 PolarHBondContact OD1-N 3.28Å; N333-F335 VanDerWaalsContact OD1-N 3.07Å; N333-Q336 HydrophobicContact CB-CB 4.19Å; N333-Q336 VanDerWaalsContact O-CB 3.25Å; N333-Q336 WeakPolarHBondContact O-CB 3.37Å; N333-Q336 PolarHBondContact O-N 3.12Å; N333-Q336 VanDerWaalsContact O-N 3.1Å
334	L	93.3	Very high	92.1	Very high	28 Å²	28	47.8 Å²	47.8	15%	0.147	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.4	-179.5	-68	179.3	0	0	0	113.7	L110 T286 L324 H326	L110-L334 HydrophobicContact CD1-CD2 4.35Å; T286-L334 HydrophobicContact CG2-CD1 3.92Å; L324-L334 HydrophobicContact CB-CB 4.3Å; L324-L334 HydrophobicContact CD2-CB 4.33Å; L324-L334 HydrophobicContact CD2-CD1 4.04Å; L324-L334 HydrophobicContact CG-CB 4.35Å; L324-L334 HydrophobicContact CG-CD1 4.19Å; L324-L334 WeakPolarHBondContact O-CB 3.29Å; L324-L334 PolarHBondContact O-N 2.9Å; H326-L334 HydrophobicContact CB-CD2 4.41Å; H326-L334 HydrophobicContact CB-CG 4.33Å
335	F	94	Very high	92	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.018	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	3.1	176.8	-67.2	-34.6	0	0	0	114.3	H283 C318 V319 H322 L324 N333 C337 T338 L343	H283-F335 HydrophobicContact CB-CE1 4.28Å; H283-F335 HydrophobicContact CB-CZ 4.44Å; H283-F335 AromaticContact CE1-CE1 3.8Å; H283-F335 AromaticContact CG-CE1 3.77Å; H283-F335 AromaticContact ND1-CE1 3.47Å; H283-F335 WeakPolarHBondContact ND1-CE1 3.44Å; C318-F335 HydrophobicContact CB-CE2 4.24Å; V319-F335 HydrophobicContact CG2-CE2 4.05Å; V319-F335 HydrophobicContact CG2-CZ 4.02Å; H322-F335 WeakPolarHBondContact O-CB 3.39Å; L324-F335 HydrophobicContact CB-CD2 3.59Å; L324-F335 HydrophobicContact CB-CE2 3.54Å; L324-F335 HydrophobicContact CB-CG 4.21Å; L324-F335 HydrophobicContact CB-CZ 4.12Å; L324-F335 HydrophobicContact CD2-CE1 4.46Å; L324-F335 HydrophobicContact CD2-CE2 4.23Å; L324-F335 HydrophobicContact CD2-CZ 3.99Å; N333-F335 PolarHBondContact O-N 3Å; N333-F335 VanDerWaalsContact O-N 3.15Å; N333-F335 PolarHBondContact OD1-N 3.28Å; N333-F335 VanDerWaalsContact OD1-N 3.07Å; F335-C337 VanDerWaalsContact C-N 3.3Å; F335-C337 PolarHBondContact O-N 2.87Å; F335-T338 WeakPolarHBondContact O-CB 3.4Å; F335-T338 PolarHBondContact O-N 3.27Å; F335-T338 VanDerWaalsContact O-N 3.14Å; F335-L343 HydrophobicContact CB-CD1 4.14Å; F335-L343 HydrophobicContact CD1-CD2 4.07Å; F335-L343 HydrophobicContact CE1-CD2 4.07Å; F335-L343 HydrophobicContact CG-CD1 4.28Å; F335-L343 HydrophobicContact CG-CD2 4.39Å; F335-L343 HydrophobicContact CZ-CD2 4.39Å
336	Q	88	Confident	92.1	Very high	97 Å²	97	46.8 Å²	46.8	45%	0.453	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-36.3	-173.1	-177.5	170.4	-0.2	0	0	114.3	N333	N333-Q336 HydrophobicContact CB-CB 4.19Å; N333-Q336 VanDerWaalsContact O-CB 3.25Å; N333-Q336 WeakPolarHBondContact O-CB 3.37Å; N333-Q336 PolarHBondContact O-N 3.12Å; N333-Q336 VanDerWaalsContact O-N 3.1Å
337	C	83.8	Confident	92.1	Very high	83 Å²	83	46.9 Å²	46.9	56%	0.561	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	12.6	-178.6	-66.3	0	0	0	0	113.1	R105 E108 F335	R105-C337 PolarHBondContact NH1-SG 3.48Å; E108-C337 PolarHBondContact OE1-SG 2.95Å; F335-C337 VanDerWaalsContact C-N 3.3Å; F335-C337 PolarHBondContact O-N 2.87Å
338	T	88.9	Confident	92.1	Very high	33 Å²	33	53.2 Å²	53.2	20%	0.202	28%	0.284	C	S	.	.	S	Bend	trans	-90.9	145.6	-176.1	-56	0	0	0	0	110.7	V278 F335 P340 L343	V278-T338 HydrophobicContact CB-CG2 4.38Å; V278-T338 HydrophobicContact CG2-CG2 3.09Å; F335-T338 WeakPolarHBondContact O-CB 3.4Å; F335-T338 PolarHBondContact O-N 3.27Å; F335-T338 VanDerWaalsContact O-N 3.14Å; T338-P340 WeakPolarHBondContact O-CD 3.41Å; T338-L343 HydrophobicContact CG2-CD1 3.76Å; T338-L343 HydrophobicContact CG2-CD2 3.87Å; T338-L343 HydrophobicContact CG2-CG 3.68Å
339	N	91.5	Very high	92.1	Very high	65 Å²	65	57.6 Å²	57.6	35%	0.348	30%	0.303	S	S	.	.			trans	-62.5	116.4	178.9	-177.3	-12.4	0	0	0	110.8	I341 E342 L343	N339-I341 VanDerWaalsContact C-N 3.3Å; N339-I341 PolarHBondContact O-N 3.38Å; N339-I341 WeakPolarHBondContact OD1-CB 3.45Å; N339-I341 PolarHBondContact OD1-N 3.28Å; N339-E342 HydrophobicContact CB-CB 4.14Å; N339-E342 HydrophobicContact CB-CG 4.15Å; N339-E342 PolarHBondContact ND2-OE1 2.94Å; N339-E342 PolarHBondContact O-N 3.43Å; N339-L343 PolarHBondContact O-N 3.28Å
340	P	92.7	Very high	92.2	Very high	64 Å²	64	57.4 Å²	57.4	42%	0.416	30%	0.302	S	S	.	.	H	α-helix	trans	-64.4	-33.6	-176.5	25.3	-33.8	0	0	0	112.5	T338 E342 L343 D344	T338-P340 WeakPolarHBondContact O-CD 3.41Å; P340-E342 PolarHBondContact O-N 3Å; P340-L343 PolarHBondContact O-N 2.99Å; P340-D344 VanDerWaalsContact O-CG 3.3Å; P340-D344 PolarHBondContact O-N 3.27Å
341	I	93.8	Very high	92.7	Very high	129 Å²	129	54.8 Å²	54.8	66%	0.662	30%	0.299	S	S	*	.	H	α-helix	trans	-65	-43.4	179.7	-59.3	173.6	0	0	0	110.3	N339 D344 A345	N339-I341 VanDerWaalsContact C-N 3.3Å; N339-I341 PolarHBondContact O-N 3.38Å; N339-I341 WeakPolarHBondContact OD1-CB 3.45Å; N339-I341 PolarHBondContact OD1-N 3.28Å; I341-D344 PolarHBondContact O-N 2.75Å; I341-A345 PolarHBondContact O-N 3Å
342	E	93.6	Very high	93.1	Very high	89 Å²	89	52.3 Å²	52.3	42%	0.416	29%	0.289	S	S	.	.	H	α-helix	trans	-68.3	-37.4	176.8	-71.5	172.9	-144.6	0	0	111.7	V278 N339 P340 A345 V346	V278-E342 HydrophobicContact CB-CB 3.98Å; V278-E342 HydrophobicContact CG1-CB 4.13Å; V278-E342 HydrophobicContact CG2-CB 3.73Å; N339-E342 HydrophobicContact CB-CB 4.14Å; N339-E342 HydrophobicContact CB-CG 4.15Å; N339-E342 PolarHBondContact ND2-OE1 2.94Å; N339-E342 PolarHBondContact O-N 3.43Å; P340-E342 PolarHBondContact O-N 3Å; E342-A345 PolarHBondContact O-N 2.72Å; E342-V346 WeakPolarHBondContact O-CG2 3.5Å; E342-V346 PolarHBondContact O-N 3.11Å
343	L	95.3	Very high	93.2	Very high	1 Å²	1	53 Å²	53	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-44.2	173.4	-74.6	173.1	0	0	0	111.4	V278 I279 V319 H322 F335 T338 N339 P340 A345 V346 A347	V278-L343 HydrophobicContact CG2-CD2 3.85Å; V278-L343 HydrophobicContact CG2-CG 3.9Å; I279-L343 HydrophobicContact CG1-CD2 4.45Å; V319-L343 HydrophobicContact CG1-CB 4.2Å; V319-L343 HydrophobicContact CG1-CD2 4.05Å; V319-L343 WeakPolarHBondContact CG1-O 3.31Å; H322-L343 HydrophobicContact CB-CD1 4.29Å; F335-L343 HydrophobicContact CB-CD1 4.14Å; F335-L343 HydrophobicContact CD1-CD2 4.07Å; F335-L343 HydrophobicContact CE1-CD2 4.07Å; F335-L343 HydrophobicContact CG-CD1 4.28Å; F335-L343 HydrophobicContact CG-CD2 4.39Å; F335-L343 HydrophobicContact CZ-CD2 4.39Å; T338-L343 HydrophobicContact CG2-CD1 3.76Å; T338-L343 HydrophobicContact CG2-CD2 3.87Å; T338-L343 HydrophobicContact CG2-CG 3.68Å; N339-L343 PolarHBondContact O-N 3.28Å; P340-L343 PolarHBondContact O-N 2.99Å; L343-A345 VanDerWaalsContact C-N 3.35Å; L343-A345 PolarHBondContact O-N 3.07Å; L343-V346 PolarHBondContact O-N 2.74Å; L343-A347 PolarHBondContact O-N 3.12Å
344	D	95.9	Very high	93.1	Very high	69 Å²	69	53.9 Å²	53.9	37%	0.369	30%	0.296	S	S	.	.	H	α-helix	trans	-64.1	-39.9	178.3	-71.7	-23.8	0	0	0	111.9	H322 P340 I341 V346 A347 Q348	H322-D344 IonicContact CD2-OD1 3.11Å; H322-D344 IonicContact CE1-OD1 3.91Å; H322-D344 PolarHBondContact CE1-OD1 2.85Å; H322-D344 IonicContact CE1-OD2 3.75Å; H322-D344 IonicContact NE2-OD1 2.82Å; H322-D344 PolarHBondContact NE2-OD1 3.38Å; H322-D344 IonicContact NE2-OD2 3.41Å; P340-D344 VanDerWaalsContact O-CG 3.3Å; P340-D344 PolarHBondContact O-N 3.27Å; I341-D344 PolarHBondContact O-N 2.75Å; D344-V346 VanDerWaalsContact C-N 3.32Å; D344-V346 PolarHBondContact O-N 3.22Å; D344-A347 WeakPolarHBondContact O-CB 3.37Å; D344-A347 PolarHBondContact O-N 3.34Å; D344-Q348 WeakPolarHBondContact O-CG 3.31Å; D344-Q348 PolarHBondContact O-N 3.33Å
345	A	95.1	Very high	92.9	Very high	44 Å²	44	60.9 Å²	60.9	36%	0.364	33%	0.325	S	S	.	.	H	α-helix	trans	-60.2	-41.9	173.5	0	0	0	0	0	111.8	I341 E342 L343 Q348 K349	I341-A345 PolarHBondContact O-N 3Å; E342-A345 PolarHBondContact O-N 2.72Å; L343-A345 VanDerWaalsContact C-N 3.35Å; L343-A345 PolarHBondContact O-N 3.07Å; A345-Q348 PolarHBondContact O-N 2.82Å; A345-K349 WeakPolarHBondContact O-CG 3.34Å; A345-K349 PolarHBondContact O-N 2.88Å
346	V	95.4	Very high	92.4	Very high	7 Å²	7	68.2 Å²	68.2	4%	0.042	36%	0.357	C	S	.	.	H	α-helix	trans	-69.3	-38.6	175.4	178.1	0	0	0	0	111.6	W271 C272 V278 I279 V319 E342 L343 D344 Q348 K349 L350	W271-V346 HydrophobicContact CB-CG1 4.37Å; C272-V346 HydrophobicContact CB-CG2 4.22Å; V278-V346 HydrophobicContact CG1-CG2 3.56Å; I279-V346 HydrophobicContact CD1-CB 4.3Å; I279-V346 HydrophobicContact CD1-CG1 3.48Å; I279-V346 VanDerWaalsContact CD1-CG1 3.48Å; I279-V346 HydrophobicContact CG1-CG1 4.37Å; V319-V346 HydrophobicContact CG1-CB 4.45Å; E342-V346 WeakPolarHBondContact O-CG2 3.5Å; E342-V346 PolarHBondContact O-N 3.11Å; L343-V346 PolarHBondContact O-N 2.74Å; D344-V346 VanDerWaalsContact C-N 3.32Å; D344-V346 PolarHBondContact O-N 3.22Å; V346-Q348 VanDerWaalsContact C-N 3.31Å; V346-Q348 PolarHBondContact O-N 3.33Å; V346-K349 PolarHBondContact O-N 3.47Å; V346-L350 HydrophobicContact CG1-CD1 3.98Å; V346-L350 HydrophobicContact CG1-CG 4.3Å; V346-L350 WeakPolarHBondContact O-CG 3.38Å; V346-L350 PolarHBondContact O-N 2.58Å
347	A	96.4	Very high	91.7	Very high	8 Å²	8	66.8 Å²	66.8	7%	0.066	36%	0.356	C	S	.	.	H	α-helix	trans	-58	-43.9	174.1	0	0	0	0	0	111.4	H316 V319 L343 D344 K349 L350 A351	H316-A347 PolarHBondContact CD2-O 3.01Å; H316-A347 VanDerWaalsContact CD2-O 3.29Å; V319-A347 HydrophobicContact CG1-CB 3.93Å; L343-A347 PolarHBondContact O-N 3.12Å; D344-A347 WeakPolarHBondContact O-CB 3.37Å; D344-A347 PolarHBondContact O-N 3.34Å; A347-K349 PolarHBondContact O-N 3.41Å; A347-L350 PolarHBondContact O-N 3.14Å; A347-A351 WeakPolarHBondContact O-CB 3.45Å; A347-A351 PolarHBondContact O-N 3.14Å
348	Q	95.4	Very high	90.6	Very high	135 Å²	135	69.6 Å²	69.6	63%	0.631	36%	0.361	S	S	*	.	H	α-helix	trans	-61.9	-43.5	176.4	-71.4	177.3	5	0	0	112.4	D344 A345 V346 L350 A351 T352	D344-Q348 WeakPolarHBondContact O-CG 3.31Å; D344-Q348 PolarHBondContact O-N 3.33Å; A345-Q348 PolarHBondContact O-N 2.82Å; V346-Q348 VanDerWaalsContact C-N 3.31Å; V346-Q348 PolarHBondContact O-N 3.33Å; Q348-L350 VanDerWaalsContact C-N 3.35Å; Q348-L350 PolarHBondContact O-N 2.96Å; Q348-A351 PolarHBondContact O-N 3.39Å; Q348-T352 PolarHBondContact O-N 2.9Å; Q348-T352 PolarHBondContact O-OG1 3.31Å
349	K	94.6	Very high	89	Confident	92 Å²	92	69.5 Å²	69.5	40%	0.4	36%	0.359	S	S	.	.	H	α-helix	trans	-60.6	-44.2	175.1	-70.4	179.5	-178.4	-175	0	111.8	W271 A345 V346 A347 T352 F353	W271-K349 WeakPolarHBondContact O-CD 3.48Å; W271-K349 PolarHBondContact O-NZ 2.82Å; A345-K349 WeakPolarHBondContact O-CG 3.34Å; A345-K349 PolarHBondContact O-N 2.88Å; V346-K349 PolarHBondContact O-N 3.47Å; A347-K349 PolarHBondContact O-N 3.41Å; K349-T352 PolarHBondContact O-N 3.2Å; K349-F353 WeakPolarHBondContact O-CB 3.32Å; K349-F353 PolarHBondContact O-N 3.3Å
350	L	95.4	Very high	86.3	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-63.6	-39.4	175.9	-71.3	168.9	0	0	0	111.9	W271 V312 L315 H316 V319 V346 A347 Q348 F353 L354	W271-L350 HydrophobicContact CD2-CD2 3.51Å; W271-L350 HydrophobicContact CE3-CD2 3.71Å; W271-L350 HydrophobicContact CG-CD2 3.99Å; W271-L350 HydrophobicContact CH2-CD2 4.12Å; W271-L350 HydrophobicContact CZ2-CD2 3.92Å; W271-L350 HydrophobicContact CZ3-CD2 4.02Å; V312-L350 HydrophobicContact CG1-CD2 3.99Å; L315-L350 HydrophobicContact CD2-CD1 4.03Å; L315-L350 HydrophobicContact CD2-CD2 3.98Å; L315-L350 HydrophobicContact CG-CD1 3.9Å; H316-L350 HydrophobicContact CB-CB 4.13Å; H316-L350 HydrophobicContact CB-CD1 4.4Å; V319-L350 HydrophobicContact CG2-CD1 4.27Å; V346-L350 HydrophobicContact CG1-CD1 3.98Å; V346-L350 HydrophobicContact CG1-CG 4.3Å; V346-L350 WeakPolarHBondContact O-CG 3.38Å; V346-L350 PolarHBondContact O-N 2.58Å; A347-L350 PolarHBondContact O-N 3.14Å; Q348-L350 VanDerWaalsContact C-N 3.35Å; Q348-L350 PolarHBondContact O-N 2.96Å; L350-F353 WeakPolarHBondContact O-CB 3.36Å; L350-F353 PolarHBondContact O-N 3.4Å; L350-L354 WeakPolarHBondContact O-CB 3.32Å; L350-L354 VanDerWaalsContact O-CG 3.29Å; L350-L354 WeakPolarHBondContact O-CG 3.45Å; L350-L354 PolarHBondContact O-N 3.02Å
351	A	95.2	Very high	83.4	Confident	28 Å²	28	71.4 Å²	71.4	23%	0.231	38%	0.377	C	S	.	.	H	α-helix	trans	-63.5	-44.6	176.7	0	0	0	0	0	111.6	A347 Q348 L354 K355	A347-A351 WeakPolarHBondContact O-CB 3.45Å; A347-A351 PolarHBondContact O-N 3.14Å; Q348-A351 PolarHBondContact O-N 3.39Å; A351-L354 PolarHBondContact O-N 3.04Å; A351-K355 WeakPolarHBondContact O-CG 3.45Å; A351-K355 PolarHBondContact O-N 2.79Å; A351-K355 VanDerWaalsContact O-N 3.1Å
352	T	93.4	Very high	80.7	Confident	96 Å²	96	73.9 Å²	73.9	59%	0.589	40%	0.401	S	S	*	.	H	α-helix	trans	-61.2	-45.7	175.5	-61.3	0	0	0	0	111.2	Q348 K349 L354 K355 K356	Q348-T352 PolarHBondContact O-N 2.9Å; Q348-T352 PolarHBondContact O-OG1 3.31Å; K349-T352 PolarHBondContact O-N 3.2Å; T352-L354 VanDerWaalsContact C-N 3.31Å; T352-L354 PolarHBondContact O-N 3.5Å; T352-K355 PolarHBondContact O-N 3.26Å; T352-K356 PolarHBondContact O-N 2.84Å
353	F	91.2	Very high	80	Confident	17 Å²	17	73.1 Å²	73.1	8%	0.075	40%	0.401	C	S	.	.	H	α-helix	trans	-57.7	-41.6	174.9	178.6	-92.5	0	0	0	112.5	L266 W271 F308 L309 V312 K349 L350 K355 K356 P357 I359	L266-F353 HydrophobicContact CD1-CE2 4.42Å; L266-F353 HydrophobicContact CD1-CZ 4.24Å; W271-F353 HydrophobicContact CZ2-CD1 4.02Å; W271-F353 HydrophobicContact CZ2-CD2 4.37Å; W271-F353 HydrophobicContact CZ2-CE1 4.13Å; W271-F353 HydrophobicContact CZ2-CE2 4.48Å; W271-F353 HydrophobicContact CZ2-CG 4.13Å; W271-F353 HydrophobicContact CZ2-CZ 4.37Å; W271-F353 AromaticContact NE1-CG 4Å; F308-F353 HydrophobicContact CE1-CE1 4.07Å; F308-F353 AromaticContact CE1-CZ 3.93Å; F308-F353 HydrophobicContact CE1-CZ 3.93Å; L309-F353 HydrophobicContact CD2-CE1 4.35Å; V312-F353 HydrophobicContact CG1-CD1 3.84Å; V312-F353 HydrophobicContact CG1-CE1 4.1Å; V312-F353 HydrophobicContact CG2-CE1 4.22Å; K349-F353 WeakPolarHBondContact O-CB 3.32Å; K349-F353 PolarHBondContact O-N 3.3Å; L350-F353 WeakPolarHBondContact O-CB 3.36Å; L350-F353 PolarHBondContact O-N 3.4Å; F353-K355 PolarHBondContact O-N 3.18Å; F353-K356 CarbonylContact O-C 3.54Å; F353-K356 VanDerWaalsContact O-O 3.09Å; F353-P357 VanDerWaalsContact O-CA 3.27Å; F353-P357 WeakPolarHBondContact O-CA 3.49Å; F353-P357 VanDerWaalsContact O-N 3.08Å; F353-I359 HydrophobicContact CE2-CD1 4.27Å; F353-I359 HydrophobicContact CE2-CG1 3.59Å; F353-I359 HydrophobicContact CZ-CD1 4.29Å; F353-I359 HydrophobicContact CZ-CG1 4.09Å
354	L	92.4	Very high	79.2	Confident	42 Å²	42	76.9 Å²	76.9	22%	0.22	42%	0.421	C	S	.	.	H	α-helix	trans	-70.3	-28.8	179.3	-73.5	169.9	0	0	0	113.5	L309 V312 R313 H316 L350 A351 T352	L309-L354 HydrophobicContact CD2-CD2 4.34Å; V312-L354 HydrophobicContact CB-CD2 4.16Å; V312-L354 HydrophobicContact CG1-CD1 4.45Å; V312-L354 HydrophobicContact CG1-CD2 3.82Å; V312-L354 HydrophobicContact CG1-CG 4.05Å; R313-L354 HydrophobicContact CG-CD1 4.02Å; R313-L354 HydrophobicContact CG-CD2 3.66Å; H316-L354 HydrophobicContact CB-CD1 3.92Å; L350-L354 WeakPolarHBondContact O-CB 3.32Å; L350-L354 VanDerWaalsContact O-CG 3.29Å; L350-L354 WeakPolarHBondContact O-CG 3.45Å; L350-L354 PolarHBondContact O-N 3.02Å; A351-L354 PolarHBondContact O-N 3.04Å; T352-L354 VanDerWaalsContact C-N 3.31Å; T352-L354 PolarHBondContact O-N 3.5Å
355	K	89.6	Confident	78.3	Confident	176 Å²	176	77.3 Å²	77.3	77%	0.765	42%	0.424	S	S	*	.	H	α-helix	trans	-71.4	-41.1	176.2	-73.9	177.2	-178.3	179.3	0	112.2	A351 T352 F353	A351-K355 WeakPolarHBondContact O-CG 3.45Å; A351-K355 PolarHBondContact O-N 2.79Å; A351-K355 VanDerWaalsContact O-N 3.1Å; T352-K355 PolarHBondContact O-N 3.26Å; F353-K355 PolarHBondContact O-N 3.18Å
356	K	82.9	Confident	77.3	Confident	158 Å²	158	79.3 Å²	79.3	69%	0.687	43%	0.428	S	S	*	.	S	Bend	trans	-135.4	94.8	175.5	-68.1	-176	-178.1	-179.6	0	107.3	T352 F353 Q358	T352-K356 PolarHBondContact O-N 2.84Å; F353-K356 CarbonylContact O-C 3.54Å; F353-K356 VanDerWaalsContact O-O 3.09Å; K356-Q358 HydrophobicContact CB-CG 4.23Å; K356-Q358 PolarHBondContact O-N 3.36Å
357	P	72.4	Confident	76.2	Confident	66 Å²	66	83.8 Å²	83.8	43%	0.429	45%	0.452	S	S	.	.			trans	-69.1	72	174.6	-15	29.9	0	0	0	109.3	L309 F353	L309-P357 HydrophobicContact CD2-CB 4.22Å; L309-P357 HydrophobicContact CD2-CG 4.1Å; F353-P357 VanDerWaalsContact O-CA 3.27Å; F353-P357 WeakPolarHBondContact O-CA 3.49Å; F353-P357 VanDerWaalsContact O-N 3.08Å
358	Q	62.1	Low	74.8	Confident	143 Å²	143	88.9 Å²	88.9	67%	0.668	48%	0.478	S	S	*	.			trans	-110.7	107.9	175.2	-70	-89.8	3.7	0	0	104.3	K356 S360	K356-Q358 HydrophobicContact CB-CG 4.23Å; K356-Q358 PolarHBondContact O-N 3.36Å; Q358-S360 VanDerWaalsContact C-N 3.32Å; Q358-S360 PolarHBondContact O-N 3.34Å
359	I	53.7	Low	73.4	Confident	30 Å²	30	85.6 Å²	85.6	15%	0.154	47%	0.467	C	S	.	.			trans	-90.2	85.6	171.8	-60.2	160.3	0	0	0	104.5	L9 L13 L266 F353 P361	L9-I359 HydrophobicContact CD1-CB 3.89Å; L9-I359 HydrophobicContact CD2-CB 4.44Å; L9-I359 HydrophobicContact CD2-CD1 4.15Å; L9-I359 HydrophobicContact CD2-CG1 4.48Å; L9-I359 HydrophobicContact CG-CB 4.46Å; L9-I359 HydrophobicContact CG-CD1 4.36Å; L13-I359 HydrophobicContact CD1-CD1 3.4Å; L13-I359 VanDerWaalsContact CD1-CD1 3.4Å; L13-I359 HydrophobicContact CD2-CD1 4.21Å; L13-I359 HydrophobicContact CD2-CG2 3.89Å; L13-I359 HydrophobicContact CG-CD1 4.25Å; L266-I359 HydrophobicContact CD1-CD1 4.19Å; L266-I359 HydrophobicContact CD2-CD1 4.49Å; L266-I359 HydrophobicContact CD2-CG1 4.18Å; L266-I359 HydrophobicContact CD2-CG2 3.86Å; F353-I359 HydrophobicContact CE2-CD1 4.27Å; F353-I359 HydrophobicContact CE2-CG1 3.59Å; F353-I359 HydrophobicContact CZ-CD1 4.29Å; F353-I359 HydrophobicContact CZ-CG1 4.09Å; I359-P361 WeakPolarHBondContact O-CD 3.24Å
360	S	35.4	Very low	71.7	Confident	89 Å²	89	85.1 Å²	85.1	62%	0.622	47%	0.472	S	S	*	.			trans	-61.1	128.5	173.3	-57.8	0	0	0	0	108.1	Q358	Q358-S360 VanDerWaalsContact C-N 3.32Å; Q358-S360 PolarHBondContact O-N 3.34Å
361	P	32.8	Very low	69.8	Low	80 Å²	80	92.2 Å²	92.2	52%	0.519	51%	0.511	S	S	.	.			trans	-63	141.6	153.9	29	-28.8	0	0	0	107.5	I359	I359-P361 WeakPolarHBondContact O-CD 3.24Å
362	P	36.2	Very low	67.5	Low	181 Å²	181	98 Å²	98	100%	1.175	54%	0.537	S	S	*	.			trans	-58.5	0	162.2	26.9	-31.9	0	0	0	110.6

Retrieved 362 of 362 residues in 181.1 ms (Link to these results)

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