A0A087X2C2_HUMAN Loading...

Divergent protein kinase domain 1A

AlphaFold DB , UniProt , Accession A0A087X2C2, Species HUMAN (Homo sapiens, Human), Gene DIPK1A, Length 383 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	34.4	Very low	48.3	Very low	236 Å²	236	99.4 Å²	99.4	100%	1.163	53%	0.534	S	S	*	.				0	121	0	-70.3	174.2	-161.7	0	0	108.2	R3	M1-R3 PolarHBondContact O-N 3.07Å
2	A	30.7	Very low	48.6	Very low	109 Å²	109	105 Å²	105	90%	0.901	54%	0.542	S	S	*	.			trans	-67.2	119.2	-166.5	0	0	0	0	0	111.7	S4	A2-S4 PolarHBondContact O-N 2.74Å
3	R	46.6	Very low	49.4	Very low	171 Å²	171	101.8 Å²	101.8	65%	0.645	52%	0.521	S	S	*	.			trans	-76.8	99.4	-179.3	-67.1	170.4	170.5	156.8	-5.1	108.9	M1 L5	M1-R3 PolarHBondContact O-N 3.07Å; R3-L5 PolarHBondContact O-N 3.11Å
4	S	51.8	Low	50.5	Low	65 Å²	65	95.8 Å²	95.8	46%	0.455	49%	0.492	S	S	.	.			trans	-74.4	78.2	169.8	60.4	0	0	0	0	109.4	A2	A2-S4 PolarHBondContact O-N 2.74Å
5	L	59.8	Low	51.9	Low	36 Å²	36	93.5 Å²	93.5	19%	0.188	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-63.8	140	170.3	-78	170.1	0	0	0	109.3	R3 A9	R3-L5 PolarHBondContact O-N 3.11Å; L5-A9 HydrophobicContact CB-CB 4Å; L5-A9 HydrophobicContact CD2-CB 4.03Å
6	C	62.8	Low	53.3	Low	0 Å²	0	98.3 Å²	98.3	0%	0	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-58.5	152.2	174.5	-69.7	0	0	0	0	111	G8 A9 C46 Q54 Y56	C6-G8 PolarHBondContact O-N 3.4Å; C6-A9 VanDerWaalsContact O-CB 3.26Å; C6-A9 WeakPolarHBondContact O-CB 3.34Å; C6-A9 PolarHBondContact O-N 2.84Å; C6-C46 WeakPolarHBondContact CA-SG 3.5Å; C6-C46 HydrophobicContact CB-CB 4.04Å; C6-C46 WeakPolarHBondContact CB-SG 3.07Å; C6-C46 WeakPolarHBondContact SG-CB 3.38Å; C6-C46 CovalentContact SG-SG 2.02Å; C6-C46 PolarHBondContact SG-SG 2.92Å; C6-Q54 HydrophobicContact CB-CB 4.45Å; C6-Q54 HydrophobicContact CB-CG 4.09Å; C6-Y56 HydrophobicContact CB-CE1 4.35Å; C6-Y56 WeakPolarHBondContact CB-OH 3.39Å; C6-Y56 PolarHBondContact N-OH 2.91Å; C6-Y56 WeakPolarHBondContact SG-CE1 3.44Å; C6-Y56 PolarHBondContact SG-OH 3.26Å
7	P	55.3	Low	54.9	Low	74 Å²	74	95.9 Å²	95.9	48%	0.481	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	127.9	170.5	-25.1	34	0	0	0	110.9
8	G	51.2	Low	56.6	Low	42 Å²	42	90.9 Å²	90.9	43%	0.433	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	-14.8	-175.4	0	0	0	0	0	116.2	C6 W10	C6-G8 PolarHBondContact O-N 3.4Å; G8-W10 PolarHBondContact O-N 3.04Å
9	A	52.7	Low	58.3	Low	1 Å²	1	86.9 Å²	86.9	1%	0.008	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	1.4	176.9	0	0	0	0	0	114.2	L5 C6 L11	L5-A9 HydrophobicContact CB-CB 4Å; L5-A9 HydrophobicContact CD2-CB 4.03Å; C6-A9 VanDerWaalsContact O-CB 3.26Å; C6-A9 WeakPolarHBondContact O-CB 3.34Å; C6-A9 PolarHBondContact O-N 2.84Å; A9-L11 VanDerWaalsContact C-N 3.3Å; A9-L11 PolarHBondContact O-N 2.91Å
10	W	43.7	Very low	59.9	Low	193 Å²	193	86.9 Å²	86.9	73%	0.731	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-20.9	179.3	-60.4	89.7	0	0	0	113.5	G8	G8-W10 PolarHBondContact O-N 3.04Å
11	L	42.7	Very low	61.3	Low	166 Å²	166	84.7 Å²	84.7	87%	0.869	42%	0.422	S	S	*	.	S	Bend	trans	-90.5	-30.5	-177.1	-83.1	150.3	0	0	0	113.6	A9	A9-L11 VanDerWaalsContact C-N 3.3Å; A9-L11 PolarHBondContact O-N 2.91Å
12	R	51.2	Low	64.1	Low	167 Å²	167	76 Å²	76	63%	0.63	38%	0.377	S	S	*	.			trans	-151.9	127.6	171.6	-76.5	-175.5	177.4	169.3	-2.6	109.1	P14	R12-P14 WeakPolarHBondContact O-CD 3.32Å
13	K	59.7	Low	67	Low	63 Å²	63	78.1 Å²	78.1	27%	0.274	37%	0.366	S	S	.	.			trans	-71.6	118.5	171.2	-67	-171.9	-177.2	176.8	0	108.6	Y15 Y16	K13-Y15 VanDerWaalsContact C-N 3.26Å; K13-Y15 HydrophobicContact CB-CD1 4.08Å; K13-Y15 HydrophobicContact CB-CE1 3.79Å; K13-Y15 HydrophobicContact CD-CE1 3.62Å; K13-Y15 VanDerWaalsContact CD-OH 3.27Å; K13-Y15 WeakPolarHBondContact CD-OH 3.37Å; K13-Y15 HydrophobicContact CG-CE1 4.18Å; K13-Y15 PolarHBondContact NZ-OH 2.92Å; K13-Y15 VanDerWaalsContact NZ-OH 3.07Å; K13-Y15 PolarHBondContact O-N 3.42Å; K13-Y16 PolarHBondContact O-N 3.26Å
14	P	64	Low	69.1	Low	18 Å²	18	74 Å²	74	12%	0.117	36%	0.36	C	S	.	.	H	α-helix	trans	-56.4	-42.3	-172.7	-18.1	25.1	0	0	0	112.1	R12 Y16 L17 Q54 C69 M71	R12-P14 WeakPolarHBondContact O-CD 3.32Å; P14-Y16 VanDerWaalsContact C-N 3.33Å; P14-Y16 PolarHBondContact O-N 3.16Å; P14-L17 PolarHBondContact O-N 2.79Å; P14-Q54 VanDerWaalsContact CG-OE1 3.26Å; P14-C69 HydrophobicContact CB-CB 4.35Å; P14-M71 HydrophobicContact CB-SD 3.72Å; P14-M71 HydrophobicContact CG-CE 4.15Å; P14-M71 HydrophobicContact CG-SD 3.53Å; P14-M71 VanDerWaalsContact CG-SD 3.53Å
15	Y	71.6	Confident	71	Confident	61 Å²	61	73.2 Å²	73.2	24%	0.239	36%	0.362	C	S	.	.	H	α-helix	trans	-67.8	-27.2	-178.7	70.5	-93.9	0	0	0	114.2	K13 Q18 C19	K13-Y15 VanDerWaalsContact C-N 3.26Å; K13-Y15 HydrophobicContact CB-CD1 4.08Å; K13-Y15 HydrophobicContact CB-CE1 3.79Å; K13-Y15 HydrophobicContact CD-CE1 3.62Å; K13-Y15 VanDerWaalsContact CD-OH 3.27Å; K13-Y15 WeakPolarHBondContact CD-OH 3.37Å; K13-Y15 HydrophobicContact CG-CE1 4.18Å; K13-Y15 PolarHBondContact NZ-OH 2.92Å; K13-Y15 VanDerWaalsContact NZ-OH 3.07Å; K13-Y15 PolarHBondContact O-N 3.42Å; Y15-Q18 PolarHBondContact O-N 3.42Å; Y15-C19 PolarHBondContact O-N 3.26Å; Y15-C19 PolarHBondContact O-SG 3.25Å
16	Y	75.3	Confident	72.5	Confident	171 Å²	171	73.5 Å²	73.5	67%	0.671	37%	0.365	S	S	*	.	H	α-helix	trans	-67.2	-40.3	-179.4	-176.9	-91.8	0	0	0	111.1	K13 P14 Q18 C19 D20	K13-Y16 PolarHBondContact O-N 3.26Å; P14-Y16 VanDerWaalsContact C-N 3.33Å; P14-Y16 PolarHBondContact O-N 3.16Å; Y16-Q18 VanDerWaalsContact C-N 3.33Å; Y16-C19 PolarHBondContact O-N 3.41Å; Y16-D20 PolarHBondContact O-N 3.44Å; Y16-D20 VanDerWaalsContact O-N 3.12Å
17	L	79.6	Confident	73.9	Confident	57 Å²	57	73.5 Å²	73.5	30%	0.298	37%	0.365	S	S	.	.	H	α-helix	trans	-65.4	-38.9	177.5	-174.4	64.9	0	0	0	111.5	P14 D20 K21	P14-L17 PolarHBondContact O-N 2.79Å; L17-D20 PolarHBondContact O-N 3.48Å; L17-K21 WeakPolarHBondContact O-CG 3.41Å; L17-K21 PolarHBondContact O-N 3.06Å; L17-K21 VanDerWaalsContact O-N 3.17Å
18	Q	85.3	Confident	75.8	Confident	7 Å²	7	72.1 Å²	72.1	3%	0.033	35%	0.354	C	S	.	.	H	α-helix	trans	-63.6	-43.8	175	-60.6	-60.6	71.9	0	0	111.2	Y15 Y16 D20 K21 Y22 I27 L35 C177 D179	Y15-Q18 PolarHBondContact O-N 3.42Å; Y16-Q18 VanDerWaalsContact C-N 3.33Å; Q18-D20 VanDerWaalsContact C-N 3.33Å; Q18-D20 PolarHBondContact O-N 3.43Å; Q18-K21 PolarHBondContact O-N 3.35Å; Q18-Y22 WeakPolarHBondContact O-CB 3.28Å; Q18-Y22 PolarHBondContact O-N 3.36Å; Q18-I27 HydrophobicContact CB-CD1 3.93Å; Q18-I27 VanDerWaalsContact O-CD1 3.28Å; Q18-I27 WeakPolarHBondContact O-CD1 3.17Å; Q18-L35 HydrophobicContact CB-CD2 4.35Å; Q18-C177 PolarHBondContact NE2-O 3.32Å; Q18-D179 PolarHBondContact NE2-OD1 2.92Å
19	C	89.4	Confident	77.9	Confident	14 Å²	14	70.3 Å²	70.3	10%	0.095	34%	0.335	C	S	.	.	H	α-helix	trans	-66.1	-33.1	180	-65.3	0	0	0	0	114.3	Y15 Y16 Y22 K23 C36	Y15-C19 PolarHBondContact O-N 3.26Å; Y15-C19 PolarHBondContact O-SG 3.25Å; Y16-C19 PolarHBondContact O-N 3.41Å; C19-Y22 PolarHBondContact O-N 2.78Å; C19-K23 WeakPolarHBondContact O-CB 3.36Å; C19-K23 VanDerWaalsContact O-CG 3.25Å; C19-K23 WeakPolarHBondContact O-CG 3.43Å; C19-K23 PolarHBondContact O-N 2.76Å; C19-C36 WeakPolarHBondContact CA-SG 3.32Å; C19-C36 HydrophobicContact CB-CB 3.61Å; C19-C36 WeakPolarHBondContact CB-SG 3.43Å; C19-C36 WeakPolarHBondContact SG-CA 3.01Å; C19-C36 WeakPolarHBondContact SG-CB 3.27Å; C19-C36 CovalentContact SG-SG 2.04Å; C19-C36 PolarHBondContact SG-SG 2.93Å
20	D	90.1	Very high	79.9	Confident	87 Å²	87	72.7 Å²	72.7	47%	0.465	35%	0.35	S	S	.	.	H	α-helix	trans	-66.6	-43.9	173.1	-167.5	55	0	0	0	111.5	Y16 L17 Q18 Y22 K23 T24	Y16-D20 PolarHBondContact O-N 3.44Å; Y16-D20 VanDerWaalsContact O-N 3.12Å; L17-D20 PolarHBondContact O-N 3.48Å; Q18-D20 VanDerWaalsContact C-N 3.33Å; Q18-D20 PolarHBondContact O-N 3.43Å; D20-Y22 VanDerWaalsContact C-N 3.33Å; D20-Y22 PolarHBondContact O-N 3.16Å; D20-K23 PolarHBondContact O-N 3.39Å; D20-T24 WeakPolarHBondContact O-CG2 3.38Å; D20-T24 PolarHBondContact O-N 2.88Å; D20-T24 VanDerWaalsContact O-N 3.15Å; D20-T24 PolarHBondContact O-OG1 3.44Å
21	K	90.1	Very high	82.3	Confident	40 Å²	40	63.5 Å²	63.5	17%	0.174	32%	0.315	C	S	.	.	H	α-helix	trans	-63.9	-36.5	174.4	-70.5	176.5	-177.4	173.7	0	112.6	L17 Q18 T24 G25 V26 I27 F92	L17-K21 WeakPolarHBondContact O-CG 3.41Å; L17-K21 PolarHBondContact O-N 3.06Å; L17-K21 VanDerWaalsContact O-N 3.17Å; Q18-K21 PolarHBondContact O-N 3.35Å; K21-T24 WeakPolarHBondContact CA-OG1 3.29Å; K21-T24 PolarHBondContact O-N 2.87Å; K21-T24 PolarHBondContact O-OG1 3.18Å; K21-T24 VanDerWaalsContact O-OG1 3.05Å; K21-G25 PolarHBondContact O-N 3.02Å; K21-V26 HydrophobicContact CB-CB 4.16Å; K21-V26 WeakPolarHBondContact O-CB 3.48Å; K21-V26 PolarHBondContact O-N 3.18Å; K21-I27 HydrophobicContact CB-CB 4.49Å; K21-I27 HydrophobicContact CB-CD1 3.88Å; K21-I27 HydrophobicContact CB-CG1 3.75Å; K21-I27 HydrophobicContact CB-CG2 4.11Å; K21-I27 HydrophobicContact CD-CG2 4.37Å; K21-I27 PolarHBondContact O-N 3.03Å; K21-F92 HydrophobicContact CD-CD2 3.86Å; K21-F92 HydrophobicContact CD-CE2 3.91Å; K21-F92 VanDerWaalsContact NZ-CE2 3.32Å
22	Y	92.8	Very high	84.8	Confident	54 Å²	54	55.6 Å²	55.6	21%	0.212	27%	0.274	C	S	.	.	H	α-helix	trans	-67.9	-47.8	177	175.9	-119.5	0	0	0	111.3	Q18 C19 D20 T24 G25 D28 C32 C36 V37	Q18-Y22 WeakPolarHBondContact O-CB 3.28Å; Q18-Y22 PolarHBondContact O-N 3.36Å; C19-Y22 PolarHBondContact O-N 2.78Å; D20-Y22 VanDerWaalsContact C-N 3.33Å; D20-Y22 PolarHBondContact O-N 3.16Å; Y22-T24 PolarHBondContact O-N 3.38Å; Y22-T24 VanDerWaalsContact O-N 3.16Å; Y22-G25 PolarHBondContact O-N 3.28Å; Y22-D28 WeakPolarHBondContact CE2-OD1 3.26Å; Y22-C32 HydrophobicContact CD1-CB 4.06Å; Y22-C32 HydrophobicContact CD2-CB 3.4Å; Y22-C32 VanDerWaalsContact CD2-CB 3.4Å; Y22-C32 HydrophobicContact CE1-CB 4.08Å; Y22-C32 HydrophobicContact CE2-CB 3.44Å; Y22-C32 VanDerWaalsContact CE2-CB 3.44Å; Y22-C32 HydrophobicContact CG-CB 3.72Å; Y22-C36 HydrophobicContact CD1-CB 3.84Å; Y22-C36 HydrophobicContact CE1-CB 4.43Å; Y22-V37 HydrophobicContact CE1-CG2 4.01Å
23	K	92.2	Very high	86.8	Confident	153 Å²	153	51 Å²	51	67%	0.665	26%	0.262	S	S	*	.	H	α-helix	trans	-60.3	-27.9	177.2	-73.6	174.1	-176.3	-177.2	0	113.4	C19 D20	C19-K23 WeakPolarHBondContact O-CB 3.36Å; C19-K23 VanDerWaalsContact O-CG 3.25Å; C19-K23 WeakPolarHBondContact O-CG 3.43Å; C19-K23 PolarHBondContact O-N 2.76Å; D20-K23 PolarHBondContact O-N 3.39Å
24	T	90.7	Very high	88.4	Confident	86 Å²	86	48.6 Å²	48.6	53%	0.528	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	2	176.6	52.9	0	0	0	0	113.7	D20 K21 Y22 V26	D20-T24 WeakPolarHBondContact O-CG2 3.38Å; D20-T24 PolarHBondContact O-N 2.88Å; D20-T24 VanDerWaalsContact O-N 3.15Å; D20-T24 PolarHBondContact O-OG1 3.44Å; K21-T24 WeakPolarHBondContact CA-OG1 3.29Å; K21-T24 PolarHBondContact O-N 2.87Å; K21-T24 PolarHBondContact O-OG1 3.18Å; K21-T24 VanDerWaalsContact O-OG1 3.05Å; Y22-T24 PolarHBondContact O-N 3.38Å; Y22-T24 VanDerWaalsContact O-N 3.16Å; T24-V26 VanDerWaalsContact C-N 3.28Å; T24-V26 PolarHBondContact O-N 3.25Å; T24-V26 WeakPolarHBondContact OG1-CG2 3.31Å
25	G	90.3	Very high	89.7	Confident	48 Å²	48	48.3 Å²	48.3	50%	0.495	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	21.2	179.2	0	0	0	0	0	114.2	K21 Y22	K21-G25 PolarHBondContact O-N 3.02Å; Y22-G25 PolarHBondContact O-N 3.28Å
26	V	91.4	Very high	90.7	Very high	41 Å²	41	46 Å²	46	25%	0.248	24%	0.243	C	C	.	.	S	Bend	trans	-80.7	-35.5	178.9	176.5	0	0	0	0	111.4	K21 T24 F92 K147	K21-V26 HydrophobicContact CB-CB 4.16Å; K21-V26 WeakPolarHBondContact O-CB 3.48Å; K21-V26 PolarHBondContact O-N 3.18Å; T24-V26 VanDerWaalsContact C-N 3.28Å; T24-V26 PolarHBondContact O-N 3.25Å; T24-V26 WeakPolarHBondContact OG1-CG2 3.31Å; V26-F92 HydrophobicContact CG1-CB 4.15Å; V26-K147 WeakPolarHBondContact O-CD 3.39Å
27	I	93.5	Very high	91.5	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.237	C	C	.	.			trans	-126.3	161.9	176.9	67.1	173	0	0	0	109.3	Q18 K21 F92 S148	Q18-I27 HydrophobicContact CB-CD1 3.93Å; Q18-I27 VanDerWaalsContact O-CD1 3.28Å; Q18-I27 WeakPolarHBondContact O-CD1 3.17Å; K21-I27 HydrophobicContact CB-CB 4.49Å; K21-I27 HydrophobicContact CB-CD1 3.88Å; K21-I27 HydrophobicContact CB-CG1 3.75Å; K21-I27 HydrophobicContact CB-CG2 4.11Å; K21-I27 HydrophobicContact CD-CG2 4.37Å; K21-I27 PolarHBondContact O-N 3.03Å; I27-F92 HydrophobicContact CG2-CD1 3.53Å; I27-F92 HydrophobicContact CG2-CD2 4.06Å; I27-F92 HydrophobicContact CG2-CE1 3.59Å; I27-F92 HydrophobicContact CG2-CE2 4.12Å; I27-F92 HydrophobicContact CG2-CG 3.76Å; I27-F92 HydrophobicContact CG2-CZ 3.88Å; I27-S148 WeakPolarHBondContact CA-OG 3.48Å; I27-S148 WeakPolarHBondContact CB-OG 3.43Å
28	D	94.9	Very high	92	Very high	46 Å²	46	42.7 Å²	42.7	25%	0.246	24%	0.243	C	C	.	.			trans	-152.2	177.2	173.8	-144.2	-30.1	0	0	0	110.2	Y22 G144 E145 S148 G178	Y22-D28 WeakPolarHBondContact CE2-OD1 3.26Å; D28-G144 PolarHBondContact N-O 2.89Å; D28-E145 HydrophobicContact CB-CG 3.85Å; D28-S148 PolarHBondContact N-OG 2.83Å; D28-S148 WeakPolarHBondContact O-CB 3.38Å; D28-S148 PolarHBondContact O-OG 3.3Å; D28-G178 PolarHBondContact O-N 3.09Å
29	G	95	Very high	92.1	Very high	4 Å²	4	48.6 Å²	48.6	4%	0.041	27%	0.271	C	S	.	.			trans	151.9	162.2	174.4	0	0	0	0	0	111.7	A31 C32 F176	G29-A31 PolarHBondContact O-N 3.21Å; G29-C32 WeakPolarHBondContact O-CB 3.38Å; G29-C32 PolarHBondContact O-N 2.93Å; G29-F176 CarbonylContact C-O 3.44Å; G29-F176 VanDerWaalsContact C-O 3.24Å; G29-F176 WeakPolarHBondContact CA-O 3.29Å
30	P	94.8	Very high	92.1	Very high	50 Å²	50	50 Å²	50	33%	0.325	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.2	-172	24.7	-34.7	0	0	0	113.3	F176	P30-F176 WeakPolarHBondContact CD-O 3.45Å; P30-F176 HydrophobicContact CG-CD1 4.31Å; P30-F176 HydrophobicContact CG-CE1 4.28Å
31	A	94.4	Very high	92.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-10.5	178	0	0	0	0	0	113.7	G29 S34 L35 L41 W60 F176 C177	G29-A31 PolarHBondContact O-N 3.21Å; A31-S34 PolarHBondContact O-N 3.25Å; A31-L35 VanDerWaalsContact O-CB 3.23Å; A31-L35 WeakPolarHBondContact O-CB 3.41Å; A31-L35 PolarHBondContact O-N 3.31Å; A31-L41 HydrophobicContact CB-CD2 4.32Å; A31-W60 HydrophobicContact CB-CH2 3.56Å; A31-W60 HydrophobicContact CB-CZ2 3.81Å; A31-W60 HydrophobicContact CB-CZ3 3.92Å; A31-F176 WeakPolarHBondContact CB-O 3.27Å; A31-F176 PolarHBondContact N-O 3.16Å; A31-C177 HydrophobicContact CB-CB 4.44Å
32	C	94.3	Very high	92	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.8	-43	-172.8	-77.9	0	0	0	0	113.2	Y22 G29 S34 L35 C36 C177	Y22-C32 HydrophobicContact CD1-CB 4.06Å; Y22-C32 HydrophobicContact CD2-CB 3.4Å; Y22-C32 VanDerWaalsContact CD2-CB 3.4Å; Y22-C32 HydrophobicContact CE1-CB 4.08Å; Y22-C32 HydrophobicContact CE2-CB 3.44Å; Y22-C32 VanDerWaalsContact CE2-CB 3.44Å; Y22-C32 HydrophobicContact CG-CB 3.72Å; G29-C32 WeakPolarHBondContact O-CB 3.38Å; G29-C32 PolarHBondContact O-N 2.93Å; C32-S34 VanDerWaalsContact C-N 3.34Å; C32-S34 PolarHBondContact O-N 2.04Å; C32-L35 PolarHBondContact O-N 2.89Å; C32-C36 VanDerWaalsContact O-CB 3.27Å; C32-C36 WeakPolarHBondContact O-CB 2.99Å; C32-C36 PolarHBondContact O-N 2.04Å; C32-C177 WeakPolarHBondContact CA-SG 3.32Å; C32-C177 HydrophobicContact CB-CB 3.93Å; C32-C177 WeakPolarHBondContact CB-SG 3.34Å; C32-C177 WeakPolarHBondContact SG-CA 3.46Å; C32-C177 WeakPolarHBondContact SG-CB 3.26Å; C32-C177 CovalentContact SG-SG 2.04Å; C32-C177 PolarHBondContact SG-SG 2.85Å
33	N	93.9	Very high	91.7	Very high	71 Å²	71	51.4 Å²	51.4	38%	0.38	28%	0.279	S	S	.	.	H	α-helix	trans	-61.6	-44.5	176.6	-176	60.3	0	0	0	111.2	L35 C36 V37 T38	N33-L35 VanDerWaalsContact C-N 3.31Å; N33-L35 PolarHBondContact O-N 2.99Å; N33-C36 PolarHBondContact O-N 3.24Å; N33-V37 WeakPolarHBondContact O-CA 3.18Å; N33-V37 WeakPolarHBondContact O-CB 3.25Å; N33-V37 PolarHBondContact O-N 2.93Å; N33-V37 WeakPolarHBondContact OD1-CB 3.45Å; N33-T38 PolarHBondContact O-N 3.28Å
34	S	93.3	Very high	91.4	Very high	12 Å²	12	46 Å²	46	8%	0.084	27%	0.267	C	S	.	.	H	α-helix	trans	-65.8	-31.2	177.4	-56	0	0	0	0	113.7	A31 C32 T38 E39 T40 L41 W60	A31-S34 PolarHBondContact O-N 3.25Å; C32-S34 VanDerWaalsContact C-N 3.34Å; C32-S34 PolarHBondContact O-N 2.04Å; S34-T38 WeakPolarHBondContact CA-OG1 3.43Å; S34-E39 CarbonylContact O-C 3.49Å; S34-E39 VanDerWaalsContact O-CA 3.26Å; S34-E39 WeakPolarHBondContact O-CA 3.36Å; S34-E39 PolarHBondContact O-N 3Å; S34-T40 WeakPolarHBondContact CB-OG1 3.33Å; S34-T40 PolarHBondContact O-N 3.35Å; S34-L41 PolarHBondContact O-N 3.05Å; S34-L41 VanDerWaalsContact O-N 3.16Å; S34-W60 VanDerWaalsContact CB-NE1 3.34Å; S34-W60 PolarHBondContact OG-NE1 3.48Å
35	L	91.6	Very high	91.1	Very high	12 Å²	12	48.5 Å²	48.5	6%	0.063	27%	0.271	C	S	.	.	H	α-helix	trans	-76.9	-39.9	177.2	-176.7	60.6	0	0	0	112.8	Q18 A31 C32 N33 L41 F43 C177 L180	Q18-L35 HydrophobicContact CB-CD2 4.35Å; A31-L35 VanDerWaalsContact O-CB 3.23Å; A31-L35 WeakPolarHBondContact O-CB 3.41Å; A31-L35 PolarHBondContact O-N 3.31Å; C32-L35 PolarHBondContact O-N 2.89Å; N33-L35 VanDerWaalsContact C-N 3.31Å; N33-L35 PolarHBondContact O-N 2.99Å; L35-L41 HydrophobicContact CB-CD2 4.1Å; L35-L41 HydrophobicContact CD1-CD2 3.9Å; L35-L41 HydrophobicContact CD1-CG 4.38Å; L35-L41 HydrophobicContact CG-CD2 4.5Å; L35-F43 HydrophobicContact CD1-CE2 3.36Å; L35-F43 HydrophobicContact CD1-CZ 3.74Å; L35-C177 HydrophobicContact CD2-CB 4.11Å; L35-L180 HydrophobicContact CD2-CD1 4.28Å
36	C	91.4	Very high	90.8	Very high	12 Å²	12	47.4 Å²	47.4	8%	0.081	26%	0.256	C	S	.	.	H	α-helix	trans	-118.6	-17	-160.1	-60.4	0	0	0	0	115.5	C19 Y22 C32 N33	C19-C36 WeakPolarHBondContact CA-SG 3.32Å; C19-C36 HydrophobicContact CB-CB 3.61Å; C19-C36 WeakPolarHBondContact CB-SG 3.43Å; C19-C36 WeakPolarHBondContact SG-CA 3.01Å; C19-C36 WeakPolarHBondContact SG-CB 3.27Å; C19-C36 CovalentContact SG-SG 2.04Å; C19-C36 PolarHBondContact SG-SG 2.93Å; Y22-C36 HydrophobicContact CD1-CB 3.84Å; Y22-C36 HydrophobicContact CE1-CB 4.43Å; C32-C36 VanDerWaalsContact O-CB 3.27Å; C32-C36 WeakPolarHBondContact O-CB 2.99Å; C32-C36 PolarHBondContact O-N 2.04Å; N33-C36 PolarHBondContact O-N 3.24Å
37	V	92.1	Very high	90.3	Very high	89 Å²	89	48.7 Å²	48.7	54%	0.539	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-60.1	-175.2	-177.1	0	0	0	0	111	Y22 N33	Y22-V37 HydrophobicContact CE1-CG2 4.01Å; N33-V37 WeakPolarHBondContact O-CA 3.18Å; N33-V37 WeakPolarHBondContact O-CB 3.25Å; N33-V37 PolarHBondContact O-N 2.93Å; N33-V37 WeakPolarHBondContact OD1-CB 3.45Å
38	T	90.9	Very high	89.5	Confident	70 Å²	70	49.4 Å²	49.4	43%	0.429	27%	0.265	S	S	.	.	S	Bend	trans	-83.9	-17.1	-177.9	63.1	0	0	0	0	112.7	N33 S34 T40	N33-T38 PolarHBondContact O-N 3.28Å; S34-T38 WeakPolarHBondContact CA-OG1 3.43Å; T38-T40 PolarHBondContact O-N 2.87Å; T38-T40 PolarHBondContact OG1-OG1 3.47Å
39	E	87.4	Confident	88.3	Confident	132 Å²	132	53.1 Å²	53.1	62%	0.617	29%	0.29	S	S	*	.			trans	54	34.8	-178.4	-56.3	-171.5	168.8	0	0	113.4	S34 Y42	S34-E39 CarbonylContact O-C 3.49Å; S34-E39 VanDerWaalsContact O-CA 3.26Å; S34-E39 WeakPolarHBondContact O-CA 3.36Å; S34-E39 PolarHBondContact O-N 3Å; E39-Y42 VanDerWaalsContact O-CE1 3.27Å; E39-Y42 WeakPolarHBondContact O-CE1 3.42Å; E39-Y42 PolarHBondContact O-OH 2.86Å; E39-Y42 VanDerWaalsContact O-OH 3.09Å
40	T	89.8	Confident	87	Confident	43 Å²	43	59.9 Å²	59.9	26%	0.264	32%	0.318	S	S	.	.			trans	-86.9	-8.6	176.1	62.2	0	0	0	0	113.6	S34 T38 D61	S34-T40 WeakPolarHBondContact CB-OG1 3.33Å; S34-T40 PolarHBondContact O-N 3.35Å; T38-T40 PolarHBondContact O-N 2.87Å; T38-T40 PolarHBondContact OG1-OG1 3.47Å; T40-D61 WeakPolarHBondContact CB-OD1 3.09Å; T40-D61 PolarHBondContact OG1-OD1 2.94Å
41	L	90.4	Very high	85.5	Confident	9 Å²	9	60.6 Å²	60.6	5%	0.047	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	107.4	171.7	176.7	63.1	0	0	0	110.8	A31 S34 L35 F43 W60 V67 V182	A31-L41 HydrophobicContact CB-CD2 4.32Å; S34-L41 PolarHBondContact O-N 3.05Å; S34-L41 VanDerWaalsContact O-N 3.16Å; L35-L41 HydrophobicContact CB-CD2 4.1Å; L35-L41 HydrophobicContact CD1-CD2 3.9Å; L35-L41 HydrophobicContact CD1-CG 4.38Å; L35-L41 HydrophobicContact CG-CD2 4.5Å; L41-F43 HydrophobicContact CG-CE2 4.37Å; L41-W60 HydrophobicContact CB-CG 4.37Å; L41-W60 HydrophobicContact CD1-CB 3.55Å; L41-W60 HydrophobicContact CD1-CD2 4.3Å; L41-W60 HydrophobicContact CD1-CG 3.76Å; L41-V67 HydrophobicContact CD1-CG2 4.16Å; L41-V182 HydrophobicContact CD1-CG2 4.1Å; L41-V182 HydrophobicContact CD2-CG2 4.02Å
42	Y	86.8	Confident	84.2	Confident	141 Å²	141	62.6 Å²	62.6	55%	0.553	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	140.2	-175.6	-63.2	-71.4	0	0	0	113.2	E39 G58 I59	E39-Y42 VanDerWaalsContact O-CE1 3.27Å; E39-Y42 WeakPolarHBondContact O-CE1 3.42Å; E39-Y42 PolarHBondContact O-OH 2.86Å; E39-Y42 VanDerWaalsContact O-OH 3.09Å; Y42-G58 CarbonylContact O-C 3.38Å; Y42-G58 WeakPolarHBondContact O-CA 3.23Å; Y42-I59 PolarHBondContact N-O 2.82Å; Y42-I59 PolarHBondContact O-N 3Å; Y42-I59 VanDerWaalsContact O-N 3.15Å
43	F	87.3	Confident	83.2	Confident	60 Å²	60	65.1 Å²	65.1	26%	0.263	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	113.4	173.5	-65.7	-114.7	0	0	0	108.9	L35 L41 Y56 V67 L180	L35-F43 HydrophobicContact CD1-CE2 3.36Å; L35-F43 HydrophobicContact CD1-CZ 3.74Å; L41-F43 HydrophobicContact CG-CE2 4.37Å; F43-Y56 AromaticContact CD1-CD2 3.88Å; F43-Y56 HydrophobicContact CD1-CD2 3.88Å; F43-Y56 HydrophobicContact CD1-CE2 4.46Å; F43-Y56 AromaticContact CD1-CG 3.91Å; F43-Y56 HydrophobicContact CD1-CG 3.91Å; F43-Y56 HydrophobicContact CE1-CD2 4.32Å; F43-V67 HydrophobicContact CD1-CB 4.38Å; F43-V67 HydrophobicContact CD1-CG1 4.32Å; F43-V67 HydrophobicContact CE1-CB 4.02Å; F43-V67 HydrophobicContact CE1-CG1 3.49Å; F43-V67 VanDerWaalsContact CE1-CG1 3.49Å; F43-V67 HydrophobicContact CE1-CG2 4.39Å; F43-V67 HydrophobicContact CZ-CB 4.5Å; F43-V67 HydrophobicContact CZ-CG1 3.76Å; F43-L180 HydrophobicContact CE1-CD1 4.2Å; F43-L180 HydrophobicContact CZ-CD1 3.86Å
44	G	85	Confident	82.6	Confident	40 Å²	40	61.8 Å²	61.8	41%	0.412	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-127.6	175.5	0	0	0	0	0	112.3	L57	G44-L57 CarbonylContact C-O 3.24Å; G44-L57 WeakPolarHBondContact CA-O 3.47Å; G44-L57 PolarHBondContact N-O 2.71Å
45	K	84.5	Confident	82.3	Confident	139 Å²	139	62.8 Å²	62.8	60%	0.604	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	133.5	-172.5	-175.9	-176.4	175.7	-175	0	111.6	Y56 L57	K45-Y56 CarbonylContact O-C 3.59Å; K45-Y56 WeakPolarHBondContact O-CA 3.41Å; K45-L57 HydrophobicContact CB-CB 4.49Å; K45-L57 HydrophobicContact CB-CD1 4.18Å; K45-L57 PolarHBondContact O-N 3.33Å
46	C	84.7	Confident	82.1	Confident	25 Å²	25	62.5 Å²	62.5	17%	0.169	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	131.7	168.2	174.6	0	0	0	0	111.3	C6 S48 Y56	C6-C46 WeakPolarHBondContact CA-SG 3.5Å; C6-C46 HydrophobicContact CB-CB 4.04Å; C6-C46 WeakPolarHBondContact CB-SG 3.07Å; C6-C46 WeakPolarHBondContact SG-CB 3.38Å; C6-C46 CovalentContact SG-SG 2.02Å; C6-C46 PolarHBondContact SG-SG 2.92Å; C46-S48 PolarHBondContact SG-N 3.49Å; C46-S48 VanDerWaalsContact SG-N 3.36Å; C46-S48 PolarHBondContact SG-O 3.43Å; C46-Y56 HydrophobicContact CB-CD1 4.14Å; C46-Y56 HydrophobicContact CB-CE1 3.98Å
47	L	81.1	Confident	82	Confident	68 Å²	68	65.3 Å²	65.3	36%	0.356	35%	0.345	S	S	.	.			trans	-105	-9.9	175.8	-59.7	-179.1	0	0	0	113.2	M55 L57	L47-M55 HydrophobicContact CB-CB 4.08Å; L47-M55 PolarHBondContact N-O 3.15Å; L47-L57 HydrophobicContact CD1-CD2 3.8Å; L47-L57 HydrophobicContact CD1-CG 3.9Å; L47-L57 HydrophobicContact CD2-CD1 4.16Å; L47-L57 HydrophobicContact CD2-CG 3.93Å; L47-L57 HydrophobicContact CG-CD2 4.47Å; L47-L57 HydrophobicContact CG-CG 4.03Å
48	S	76.9	Confident	81.8	Confident	14 Å²	14	61.5 Å²	61.5	10%	0.098	32%	0.324	C	S	.	.			trans	-99.1	140.9	-176.3	-169.2	0	0	0	0	113.4	C46 K50 N53	C46-S48 PolarHBondContact SG-N 3.49Å; C46-S48 VanDerWaalsContact SG-N 3.36Å; C46-S48 PolarHBondContact SG-O 3.43Å; S48-K50 PolarHBondContact OG-N 3.45Å; S48-K50 PolarHBondContact OG-O 2.82Å; S48-K50 VanDerWaalsContact OG-O 3.09Å; S48-N53 WeakPolarHBondContact CB-O 3.45Å; S48-N53 PolarHBondContact OG-O 3.46Å
49	T	68.2	Low	81.8	Confident	124 Å²	124	62.1 Å²	62.1	76%	0.761	32%	0.323	S	S	*	.	S	Bend	trans	-96.1	-16.1	169.2	54.8	0	0	0	0	112.5
50	K	67.8	Low	82.1	Confident	147 Å²	147	56.7 Å²	56.7	64%	0.639	30%	0.297	S	S	*	.			trans	-100.1	136.4	-176.9	-66.1	-172.4	-179.6	-177	0	110.8	S48 N52	S48-K50 PolarHBondContact OG-N 3.45Å; S48-K50 PolarHBondContact OG-O 2.82Å; S48-K50 VanDerWaalsContact OG-O 3.09Å; K50-N52 PolarHBondContact O-N 3.17Å
51	P	64.6	Low	82	Confident	64 Å²	64	58.8 Å²	58.8	42%	0.416	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-32.9	-177.6	26.7	-33.8	0	0	0	112.9	N53 Q54 M71	P51-N53 VanDerWaalsContact C-N 3.28Å; P51-N53 PolarHBondContact O-N 2.85Å; P51-Q54 PolarHBondContact O-NE2 3.03Å; P51-M71 WeakPolarHBondContact O-CB 3.33Å; P51-M71 VanDerWaalsContact O-CG 3.24Å; P51-M71 WeakPolarHBondContact O-CG 3.42Å
52	N	66.6	Low	81.8	Confident	43 Å²	43	65.8 Å²	65.8	23%	0.23	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-22.7	-172.4	-63.7	-0.5	0	0	0	113.7	K50 M71	K50-N52 PolarHBondContact O-N 3.17Å; N52-M71 PolarHBondContact O-N 3.22Å
53	N	72.6	Confident	82.1	Confident	52 Å²	52	64 Å²	64	28%	0.278	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	107.3	-179.9	-65.5	-50.5	0	0	0	108.4	S48 P51 R269	S48-N53 WeakPolarHBondContact CB-O 3.45Å; S48-N53 PolarHBondContact OG-O 3.46Å; P51-N53 VanDerWaalsContact C-N 3.28Å; P51-N53 PolarHBondContact O-N 2.85Å; N53-R269 PolarHBondContact ND2-NH1 3.49Å; N53-R269 VanDerWaalsContact ND2-NH1 3.17Å
54	Q	81.7	Confident	82.3	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.005	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	133.7	-176.8	-58.5	-177.4	2.9	0	0	109.2	C6 P14 P51 Y56 C69 M71	C6-Q54 HydrophobicContact CB-CB 4.45Å; C6-Q54 HydrophobicContact CB-CG 4.09Å; P14-Q54 VanDerWaalsContact CG-OE1 3.26Å; P51-Q54 PolarHBondContact O-NE2 3.03Å; Q54-Y56 HydrophobicContact CB-CD2 4.32Å; Q54-Y56 HydrophobicContact CB-CE2 3.51Å; Q54-Y56 PolarHBondContact OE1-OH 2.96Å; Q54-C69 HydrophobicContact CB-CB 4.33Å; Q54-C69 PolarHBondContact N-O 3.38Å; Q54-C69 PolarHBondContact O-N 2.98Å; Q54-M71 HydrophobicContact CG-CG 3.82Å
55	M	87	Confident	82.7	Confident	33 Å²	33	62.9 Å²	62.9	16%	0.163	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	131.8	177.4	-59.4	-171.2	-66.3	0	0	107	L47 V67 K68	L47-M55 HydrophobicContact CB-CB 4.08Å; L47-M55 PolarHBondContact N-O 3.15Å; M55-V67 CarbonylContact C-O 3.47Å; M55-V67 WeakPolarHBondContact CA-O 3.47Å; M55-K68 HydrophobicContact CG-CG 4.1Å; M55-K68 HydrophobicContact SD-CD 4.45Å
56	Y	88	Confident	83	Confident	7 Å²	7	56.7 Å²	56.7	3%	0.027	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.2	-179.1	-63.3	-88	0	0	0	109.1	C6 F43 K45 C46 Q54 V66 V67	C6-Y56 HydrophobicContact CB-CE1 4.35Å; C6-Y56 WeakPolarHBondContact CB-OH 3.39Å; C6-Y56 PolarHBondContact N-OH 2.91Å; C6-Y56 WeakPolarHBondContact SG-CE1 3.44Å; C6-Y56 PolarHBondContact SG-OH 3.26Å; F43-Y56 AromaticContact CD1-CD2 3.88Å; F43-Y56 HydrophobicContact CD1-CD2 3.88Å; F43-Y56 HydrophobicContact CD1-CE2 4.46Å; F43-Y56 AromaticContact CD1-CG 3.91Å; F43-Y56 HydrophobicContact CD1-CG 3.91Å; F43-Y56 HydrophobicContact CE1-CD2 4.32Å; K45-Y56 CarbonylContact O-C 3.59Å; K45-Y56 WeakPolarHBondContact O-CA 3.41Å; C46-Y56 HydrophobicContact CB-CD1 4.14Å; C46-Y56 HydrophobicContact CB-CE1 3.98Å; Q54-Y56 HydrophobicContact CB-CD2 4.32Å; Q54-Y56 HydrophobicContact CB-CE2 3.51Å; Q54-Y56 PolarHBondContact OE1-OH 2.96Å; Y56-V66 CarbonylContact O-C 3.52Å; Y56-V66 WeakPolarHBondContact O-CA 3.45Å; Y56-V67 PolarHBondContact N-O 2.78Å; Y56-V67 PolarHBondContact O-N 3.42Å
57	L	89.1	Confident	83.4	Confident	71 Å²	71	55.5 Å²	55.5	37%	0.372	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	136.5	157.9	-69.2	177.7	0	0	0	107.7	G44 K45 L47 V66	G44-L57 CarbonylContact C-O 3.24Å; G44-L57 WeakPolarHBondContact CA-O 3.47Å; G44-L57 PolarHBondContact N-O 2.71Å; K45-L57 HydrophobicContact CB-CB 4.49Å; K45-L57 HydrophobicContact CB-CD1 4.18Å; K45-L57 PolarHBondContact O-N 3.33Å; L47-L57 HydrophobicContact CD1-CD2 3.8Å; L47-L57 HydrophobicContact CD1-CG 3.9Å; L47-L57 HydrophobicContact CD2-CD1 4.16Å; L47-L57 HydrophobicContact CD2-CG 3.93Å; L47-L57 HydrophobicContact CG-CD2 4.47Å; L47-L57 HydrophobicContact CG-CG 4.03Å; L57-V66 HydrophobicContact CD2-CG2 4.22Å
58	G	88.3	Confident	83.8	Confident	9 Å²	9	52.7 Å²	52.7	9%	0.093	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	170.5	179.5	0	0	0	0	0	112.4	Y42 G65	Y42-G58 CarbonylContact O-C 3.38Å; Y42-G58 WeakPolarHBondContact O-CA 3.23Å; G58-G65 PolarHBondContact N-O 3.31Å; G58-G65 PolarHBondContact O-N 3.45Å; G58-G65 VanDerWaalsContact O-O 3.05Å
59	I	90.6	Very high	84.1	Confident	83 Å²	83	52.4 Å²	52.4	43%	0.426	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	129.3	172	-63.7	164.4	0	0	0	106.3	Y42 L63	Y42-I59 PolarHBondContact N-O 2.82Å; Y42-I59 PolarHBondContact O-N 3Å; Y42-I59 VanDerWaalsContact O-N 3.15Å; I59-L63 CarbonylContact C-O 3.6Å; I59-L63 WeakPolarHBondContact CA-O 3.36Å
60	W	92.5	Very high	84.4	Confident	18 Å²	18	48.9 Å²	48.9	7%	0.068	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	119.9	175.5	-171.2	8.4	0	0	0	109.5	A31 S34 L41 N62 L63 M174 V182	A31-W60 HydrophobicContact CB-CH2 3.56Å; A31-W60 HydrophobicContact CB-CZ2 3.81Å; A31-W60 HydrophobicContact CB-CZ3 3.92Å; S34-W60 VanDerWaalsContact CB-NE1 3.34Å; S34-W60 PolarHBondContact OG-NE1 3.48Å; L41-W60 HydrophobicContact CB-CG 4.37Å; L41-W60 HydrophobicContact CD1-CB 3.55Å; L41-W60 HydrophobicContact CD1-CD2 4.3Å; L41-W60 HydrophobicContact CD1-CG 3.76Å; W60-N62 PolarHBondContact O-N 3.15Å; W60-L63 PolarHBondContact N-O 2.99Å; W60-L63 WeakPolarHBondContact O-CB 2.97Å; W60-L63 PolarHBondContact O-N 3.01Å; W60-M174 HydrophobicContact CB-CE 4.15Å; W60-M174 HydrophobicContact CE3-CB 3.8Å; W60-M174 HydrophobicContact CE3-CE 4.15Å; W60-M174 VanDerWaalsContact CZ3-C 3.44Å; W60-M174 HydrophobicContact CZ3-CB 3.65Å; W60-M174 WeakPolarHBondContact CZ3-O 3.3Å; W60-V182 HydrophobicContact CE3-CB 3.93Å; W60-V182 HydrophobicContact CE3-CG1 3.98Å; W60-V182 HydrophobicContact CE3-CG2 4.12Å; W60-V182 HydrophobicContact CZ3-CB 4.18Å; W60-V182 HydrophobicContact CZ3-CG2 4.4Å
61	D	87.6	Confident	84.2	Confident	87 Å²	87	43.7 Å²	43.7	47%	0.465	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	43.8	179.8	-60.6	-26.4	0	0	0	112.3	T40 L63	T40-D61 WeakPolarHBondContact CB-OD1 3.09Å; T40-D61 PolarHBondContact OG1-OD1 2.94Å; D61-L63 PolarHBondContact O-N 2.8Å
62	N	87.8	Confident	83.6	Confident	155 Å²	155	45.9 Å²	45.9	83%	0.829	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.1	7.8	-176.2	-54.4	-51.2	0	0	0	116.3	W60	W60-N62 PolarHBondContact O-N 3.15Å
63	L	91.8	Very high	82.5	Confident	104 Å²	104	50 Å²	50	55%	0.545	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.9	173.2	-62.7	173.7	0	0	0	110.4	I59 W60 D61 M174	I59-L63 CarbonylContact C-O 3.6Å; I59-L63 WeakPolarHBondContact CA-O 3.36Å; W60-L63 PolarHBondContact N-O 2.99Å; W60-L63 WeakPolarHBondContact O-CB 2.97Å; W60-L63 PolarHBondContact O-N 3.01Å; D61-L63 PolarHBondContact O-N 2.8Å; L63-M174 HydrophobicContact CB-CE 3.78Å; L63-M174 HydrophobicContact CD1-CE 4.16Å
64	P	92.1	Very high	80.5	Confident	75 Å²	75	51.5 Å²	51.5	49%	0.487	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	137.5	173.8	31	-34.5	0	0	0	110	S185	P64-S185 WeakPolarHBondContact CB-OG 3.27Å
65	G	92.5	Very high	77.9	Confident	1 Å²	1	57.3 Å²	57.3	1%	0.01	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	171.5	-178.4	0	0	0	0	0	112.5	G58 M183	G58-G65 PolarHBondContact N-O 3.31Å; G58-G65 PolarHBondContact O-N 3.45Å; G58-G65 VanDerWaalsContact O-O 3.05Å; G65-M183 CarbonylContact C-O 3.26Å; G65-M183 WeakPolarHBondContact CA-O 3.17Å
66	V	92.6	Very high	75.2	Confident	10 Å²	10	62.7 Å²	62.7	6%	0.061	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.7	171.3	177.6	0	0	0	0	108.2	Y56 L57 K68 V182 M183	Y56-V66 CarbonylContact O-C 3.52Å; Y56-V66 WeakPolarHBondContact O-CA 3.45Å; L57-V66 HydrophobicContact CD2-CG2 4.22Å; V66-K68 HydrophobicContact CG1-CG 4.23Å; V66-V182 WeakPolarHBondContact O-CA 3.38Å; V66-M183 HydrophobicContact CB-CE 3.81Å; V66-M183 HydrophobicContact CB-CG 3.97Å; V66-M183 HydrophobicContact CG1-CE 3.9Å; V66-M183 HydrophobicContact CG2-CE 4.24Å; V66-M183 PolarHBondContact N-O 3.13Å; V66-M183 PolarHBondContact O-N 2.81Å
67	V	91.6	Very high	72.3	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	121.6	175.4	-171.2	0	0	0	0	108.7	L41 F43 M55 Y56 L180 V182	L41-V67 HydrophobicContact CD1-CG2 4.16Å; F43-V67 HydrophobicContact CD1-CB 4.38Å; F43-V67 HydrophobicContact CD1-CG1 4.32Å; F43-V67 HydrophobicContact CE1-CB 4.02Å; F43-V67 HydrophobicContact CE1-CG1 3.49Å; F43-V67 VanDerWaalsContact CE1-CG1 3.49Å; F43-V67 HydrophobicContact CE1-CG2 4.39Å; F43-V67 HydrophobicContact CZ-CB 4.5Å; F43-V67 HydrophobicContact CZ-CG1 3.76Å; M55-V67 CarbonylContact C-O 3.47Å; M55-V67 WeakPolarHBondContact CA-O 3.47Å; Y56-V67 PolarHBondContact N-O 2.78Å; Y56-V67 PolarHBondContact O-N 3.42Å; V67-L180 HydrophobicContact CG1-CD1 3.91Å; V67-L180 HydrophobicContact CG1-CD2 3.67Å; V67-L180 HydrophobicContact CG1-CG 3.79Å; V67-V182 HydrophobicContact CG1-CG2 4.43Å; V67-V182 HydrophobicContact CG2-CG1 4.37Å; V67-V182 HydrophobicContact CG2-CG2 4.19Å
68	K	90	Very high	69.3	Low	8 Å²	8	70.6 Å²	70.6	4%	0.035	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.3	176.2	-67.7	-172.1	170.6	165.6	0	109.4	M55 V66 E157 Y181 M183 V266	M55-K68 HydrophobicContact CG-CG 4.1Å; M55-K68 HydrophobicContact SD-CD 4.45Å; V66-K68 HydrophobicContact CG1-CG 4.23Å; K68-E157 IonicContact NZ-OE1 3.05Å; K68-E157 PolarHBondContact NZ-OE1 2.91Å; K68-E157 IonicContact NZ-OE2 3.5Å; K68-Y181 HydrophobicContact CB-CD1 4.43Å; K68-Y181 HydrophobicContact CB-CD2 4.32Å; K68-Y181 HydrophobicContact CB-CE1 3.9Å; K68-Y181 HydrophobicContact CB-CE2 3.77Å; K68-Y181 HydrophobicContact CD-CE2 3.66Å; K68-Y181 WeakPolarHBondContact CD-OH 3.16Å; K68-Y181 HydrophobicContact CG-CE2 4.11Å; K68-Y181 PolarHBondContact N-O 3.1Å; K68-Y181 PolarHBondContact O-N 2.88Å; K68-Y181 VanDerWaalsContact O-N 3.16Å; K68-M183 HydrophobicContact CD-CE 4.43Å; K68-M183 HydrophobicContact CD-SD 4.07Å; K68-M183 VanDerWaalsContact CE-CE 3.43Å; K68-M183 VanDerWaalsContact CE-SD 3.59Å; K68-M183 PolarHBondContact NZ-SD 2.63Å; K68-V266 PolarHBondContact NZ-O 3.37Å
69	C	83.8	Confident	66.7	Low	9 Å²	9	79.6 Å²	79.6	6%	0.061	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.7	178.3	-56.1	0	0	0	0	108.5	P14 Q54 L180	P14-C69 HydrophobicContact CB-CB 4.35Å; Q54-C69 HydrophobicContact CB-CB 4.33Å; Q54-C69 PolarHBondContact N-O 3.38Å; Q54-C69 PolarHBondContact O-N 2.98Å; C69-L180 WeakPolarHBondContact SG-CD1 3.32Å
70	Q	74.5	Confident	63.7	Low	50 Å²	50	78.6 Å²	78.6	23%	0.234	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	127.2	163.3	-168.4	171.2	18.3	0	0	108.1
71	M	62.2	Low	60.8	Low	38 Å²	38	84.4 Å²	84.4	19%	0.187	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-95.4	142.9	171.9	-65.1	-67	-74.8	0	0	108.7	P14 P51 N52 Q54 Q73	P14-M71 HydrophobicContact CB-SD 3.72Å; P14-M71 HydrophobicContact CG-CE 4.15Å; P14-M71 HydrophobicContact CG-SD 3.53Å; P14-M71 VanDerWaalsContact CG-SD 3.53Å; P51-M71 WeakPolarHBondContact O-CB 3.33Å; P51-M71 VanDerWaalsContact O-CG 3.24Å; P51-M71 WeakPolarHBondContact O-CG 3.42Å; N52-M71 PolarHBondContact O-N 3.22Å; Q54-M71 HydrophobicContact CG-CG 3.82Å; M71-Q73 PolarHBondContact O-N 3.49Å; M71-Q73 VanDerWaalsContact O-N 3.17Å
72	E	53.1	Low	58.1	Low	110 Å²	110	89.3 Å²	89.3	51%	0.514	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-48.5	122.8	171.8	-74.3	171.9	176.5	0	0	109.5	A74 L91	E72-A74 PolarHBondContact O-N 2.72Å; E72-L91 HydrophobicContact CG-CD1 4Å
73	Q	42.2	Very low	55.5	Low	129 Å²	129	90.5 Å²	90.5	60%	0.603	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-67.5	119.9	174.3	-71.7	178.1	8.7	0	0	108.5	M71 L75	M71-Q73 PolarHBondContact O-N 3.49Å; M71-Q73 VanDerWaalsContact O-N 3.17Å; Q73-L75 PolarHBondContact O-N 3.44Å
74	A	31.2	Very low	52.4	Low	84 Å²	84	93.6 Å²	93.6	69%	0.694	50%	0.499	S	S	*	.			trans	-65.6	109.9	139.9	0	0	0	0	0	105.7	E72 H76	E72-A74 PolarHBondContact O-N 2.72Å; A74-H76 PolarHBondContact O-N 3.32Å
75	L	28.2	Very low	49.4	Very low	122 Å²	122	96 Å²	96	64%	0.639	52%	0.515	S	S	*	.			trans	-30.4	118.6	179.5	-68.1	154.9	0	0	0	112.9	Q73 L77	Q73-L75 PolarHBondContact O-N 3.44Å; L75-L77 PolarHBondContact O-N 2.95Å
76	H	29.9	Very low	46.5	Very low	147 Å²	147	103.7 Å²	103.7	68%	0.681	54%	0.543	S	S	*	.			trans	-71.5	108.1	158.9	-98.9	-84.8	0	0	0	107.7	A74 D78	A74-H76 PolarHBondContact O-N 3.32Å; H76-D78 PolarHBondContact O-N 3.46Å; H76-D78 VanDerWaalsContact O-N 3.11Å
77	L	26.1	Very low	43.7	Very low	111 Å²	111	112.1 Å²	112.1	58%	0.581	58%	0.579	S	S	*	*			trans	-68.4	91.8	165.3	-81.7	147.8	0	0	0	108.6	L75 F79	L75-L77 PolarHBondContact O-N 2.95Å; L77-F79 HydrophobicContact CB-CE2 4.41Å
78	D	26.6	Very low	40.8	Very low	133 Å²	133	120.7 Å²	120.7	71%	0.711	62%	0.619	S	S	*	*			trans	-79.7	114.1	153.1	-76.6	-24.5	0	0	0	107.2	H76 G80	H76-D78 PolarHBondContact O-N 3.46Å; H76-D78 VanDerWaalsContact O-N 3.11Å; D78-G80 PolarHBondContact O-N 3.31Å
79	F	33.2	Very low	38.7	Very low	198 Å²	198	127.2 Å²	127.2	87%	0.868	65%	0.653	S	S	*	*			trans	-73.4	105.4	172.3	-85.3	-91.6	0	0	0	108.5	L77	L77-F79 HydrophobicContact CB-CE2 4.41Å
80	G	29.4	Very low	37.5	Very low	62 Å²	62	130.4 Å²	130.4	64%	0.639	67%	0.672	S	S	*	*			trans	-170.6	87.7	174.5	0	0	0	0	0	110.7	D78	D78-G80 PolarHBondContact O-N 3.31Å
81	T	30.9	Very low	37	Very low	140 Å²	140	129.8 Å²	129.8	86%	0.859	67%	0.67	S	S	*	*	S	Bend	trans	16.5	95.7	157.8	51.3	0	0	0	0	118.9
82	E	30.1	Very low	37.6	Very low	189 Å²	189	128.3 Å²	128.3	88%	0.883	66%	0.663	S	S	*	*				167.3	134.3	111.4	-89.9	-175	168.2	0	0	109.1	E84	E82-E84 PolarHBondContact O-N 2.89Å; E82-E84 VanDerWaalsContact O-N 3.13Å
83	L	33	Very low	38.8	Very low	181 Å²	181	127.7 Å²	127.7	95%	0.948	66%	0.663	S	S	*	*			trans	-76.5	95	-171.4	-80.9	117.7	0	0	0	111.5
84	E	26.9	Very low	40.8	Very low	169 Å²	169	127.1 Å²	127.1	79%	0.79	66%	0.659	S	S	*	*			trans	-93.8	135.7	145	-69.4	-147.4	155.9	0	0	109.4	E82 R86	E82-E84 PolarHBondContact O-N 2.89Å; E82-E84 VanDerWaalsContact O-N 3.13Å; E84-R86 PolarHBondContact O-N 3.29Å
85	P	28.7	Very low	43.4	Very low	126 Å²	126	123.1 Å²	123.1	82%	0.818	63%	0.626	S	S	*	*			trans	-65.1	100.2	177.8	25.7	-30	0	0	0	109	K87	P85-K87 PolarHBondContact O-N 3.49Å
86	R	32	Very low	46.3	Very low	161 Å²	161	121.8 Å²	121.8	61%	0.608	62%	0.623	S	S	*	*			trans	-51.2	107.2	-179.8	-66.4	173.8	176	174.7	-4.9	109.7	E84 E88	E84-R86 PolarHBondContact O-N 3.29Å; R86-E88 PolarHBondContact O-N 2.96Å
87	K	33.3	Very low	48.9	Very low	188 Å²	188	124.6 Å²	124.6	82%	0.817	63%	0.627	S	S	*	*			trans	-60.3	116.1	172.7	-79.1	172.9	178	161.3	0	108.8	P85 I89	P85-K87 PolarHBondContact O-N 3.49Å; K87-I89 PolarHBondContact O-N 3.09Å
88	E	31.6	Very low	51.7	Low	179 Å²	179	123 Å²	123	84%	0.836	64%	0.638	S	S	*	*			trans	-52.7	112.8	159.2	-75.6	178.9	154.5	0	0	107.7	R86 V90	R86-E88 PolarHBondContact O-N 2.96Å; E88-V90 VanDerWaalsContact C-N 3.3Å; E88-V90 PolarHBondContact O-N 3.12Å
89	I	45.9	Very low	54.7	Low	145 Å²	145	118.4 Å²	118.4	74%	0.744	62%	0.615	S	S	*	*			trans	-79.3	90.3	173.2	-57.1	173.6	0	0	0	106	K87 L91	K87-I89 PolarHBondContact O-N 3.09Å; I89-L91 PolarHBondContact O-N 3.28Å; I89-L91 VanDerWaalsContact O-N 3.09Å
90	V	58.3	Low	57.4	Low	77 Å²	77	113.1 Å²	113.1	47%	0.467	60%	0.598	S	S	.	*			trans	-66.2	109.1	165.1	-175.4	0	0	0	0	106.7	E88 F92 D93	E88-V90 VanDerWaalsContact C-N 3.3Å; E88-V90 PolarHBondContact O-N 3.12Å; V90-F92 PolarHBondContact O-N 2.92Å; V90-D93 HydrophobicContact CB-CB 4.08Å; V90-D93 VanDerWaalsContact CB-CG 3.41Å; V90-D93 WeakPolarHBondContact CB-OD2 3.28Å; V90-D93 HydrophobicContact CG1-CB 4.29Å; V90-D93 VanDerWaalsContact CG1-OD1 3.24Å; V90-D93 WeakPolarHBondContact CG1-OD1 3.33Å; V90-D93 WeakPolarHBondContact CG2-OD2 3.12Å; V90-D93 PolarHBondContact O-N 3.37Å
91	L	64.1	Low	60.4	Low	36 Å²	36	113.7 Å²	113.7	19%	0.188	59%	0.589	C	S	.	*	T	Hydrogen-bonded Turn	trans	-53.8	-17.2	-167.2	-92.3	141.2	0	0	0	115.3	E72 I89 A151 D179	E72-L91 HydrophobicContact CG-CD1 4Å; I89-L91 PolarHBondContact O-N 3.28Å; I89-L91 VanDerWaalsContact O-N 3.09Å; L91-A151 WeakPolarHBondContact O-CB 3.4Å; L91-D179 HydrophobicContact CD2-CB 4.15Å; L91-D179 WeakPolarHBondContact CD2-OD2 3.16Å
92	F	74.8	Confident	63.3	Low	8 Å²	8	112.5 Å²	112.5	4%	0.035	57%	0.574	C	S	.	*	T	Hydrogen-bonded Turn	trans	-134.9	22.6	-176.6	-54	-71.9	0	0	0	114.9	K21 V26 I27 V90 K94 K147 A151 D179	K21-F92 HydrophobicContact CD-CD2 3.86Å; K21-F92 HydrophobicContact CD-CE2 3.91Å; K21-F92 VanDerWaalsContact NZ-CE2 3.32Å; V26-F92 HydrophobicContact CG1-CB 4.15Å; I27-F92 HydrophobicContact CG2-CD1 3.53Å; I27-F92 HydrophobicContact CG2-CD2 4.06Å; I27-F92 HydrophobicContact CG2-CE1 3.59Å; I27-F92 HydrophobicContact CG2-CE2 4.12Å; I27-F92 HydrophobicContact CG2-CG 3.76Å; I27-F92 HydrophobicContact CG2-CZ 3.88Å; V90-F92 PolarHBondContact O-N 2.92Å; F92-K94 VanDerWaalsContact C-N 3.29Å; F92-K147 WeakPolarHBondContact O-CD 3.46Å; F92-K147 VanDerWaalsContact O-CE 3.28Å; F92-K147 WeakPolarHBondContact O-CE 3.27Å; F92-K147 PolarHBondContact O-NZ 3.09Å; F92-A151 HydrophobicContact CD1-CB 4Å; F92-A151 HydrophobicContact CE1-CB 3.63Å; F92-A151 HydrophobicContact CZ-CB 4.47Å; F92-D179 HydrophobicContact CE1-CB 4.38Å; F92-D179 HydrophobicContact CZ-CB 3.96Å
93	D	78.8	Confident	66.3	Low	97 Å²	97	108.4 Å²	108.4	52%	0.519	55%	0.553	S	S	.	*			trans	-76.4	-19.7	177.2	-86.5	-1.3	0	0	0	113.4	V90	V90-D93 HydrophobicContact CB-CB 4.08Å; V90-D93 VanDerWaalsContact CB-CG 3.41Å; V90-D93 WeakPolarHBondContact CB-OD2 3.28Å; V90-D93 HydrophobicContact CG1-CB 4.29Å; V90-D93 VanDerWaalsContact CG1-OD1 3.24Å; V90-D93 WeakPolarHBondContact CG1-OD1 3.33Å; V90-D93 WeakPolarHBondContact CG2-OD2 3.12Å; V90-D93 PolarHBondContact O-N 3.37Å
94	K	83.3	Confident	69.2	Low	116 Å²	116	100 Å²	100	50%	0.504	51%	0.509	S	S	.	.			trans	-117.2	139.6	179.7	-66.9	-177.9	-178.7	180	0	110.7	F92 M107 W150	F92-K94 VanDerWaalsContact C-N 3.29Å; K94-M107 HydrophobicContact CB-CE 4.41Å; K94-W150 HydrophobicContact CB-CG 4.31Å
95	P	87.4	Confident	72.5	Confident	1 Å²	1	94.7 Å²	94.7	1%	0.006	48%	0.483	C	S	.	.	S	Bend	cis	-71.6	158.8	-8.1	28.5	-32.7	0	0	0	113.3	T99 F104 M107 L143 A146 K147	P95-T99 HydrophobicContact CB-CG2 3.82Å; P95-F104 HydrophobicContact CB-CD2 4.42Å; P95-F104 HydrophobicContact CG-CD2 3.92Å; P95-F104 HydrophobicContact CG-CE2 4.25Å; P95-M107 HydrophobicContact CB-CE 4.19Å; P95-M107 HydrophobicContact CB-SD 4.21Å; P95-L143 HydrophobicContact CG-CD1 4.18Å; P95-A146 HydrophobicContact CG-CB 3.62Å; P95-K147 HydrophobicContact CG-CG 4.5Å; P95-K147 WeakPolarHBondContact O-CE 3.49Å
96	T	88.1	Confident	75.6	Confident	93 Å²	93	92.6 Å²	92.6	57%	0.571	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-76.5	157.9	178.8	50.5	0	0	0	0	111.3	G98 T99	T96-G98 PolarHBondContact O-N 3.08Å; T96-T99 PolarHBondContact N-OG1 3.31Å; T96-T99 WeakPolarHBondContact O-CB 3.41Å; T96-T99 PolarHBondContact O-N 3.3Å; T96-T99 VanDerWaalsContact O-N 3.16Å; T96-T99 PolarHBondContact O-OG1 3.27Å; T96-T99 PolarHBondContact OG1-OG1 3.39Å
97	R	85.5	Confident	78.6	Confident	207 Å²	207	87 Å²	87	78%	0.781	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	134.7	173.2	-74.1	179.9	177.7	177.5	0.8	110.2	L143	R97-L143 HydrophobicContact CB-CD2 4.27Å; R97-L143 HydrophobicContact CG-CD2 3.52Å
98	G	84.3	Confident	81.5	Confident	78 Å²	78	78.1 Å²	78.1	80%	0.804	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	1	-177	0	0	0	0	0	115.1	T96 T100	T96-G98 PolarHBondContact O-N 3.08Å; G98-T100 PolarHBondContact O-N 3Å
99	T	88.5	Confident	84.5	Confident	36 Å²	36	73.8 Å²	73.8	22%	0.221	38%	0.382	C	S	.	.			trans	-67.1	124.8	171.1	-56.4	0	0	0	0	109.9	P95 T96 K103 F104 M107	P95-T99 HydrophobicContact CB-CG2 3.82Å; T96-T99 PolarHBondContact N-OG1 3.31Å; T96-T99 WeakPolarHBondContact O-CB 3.41Å; T96-T99 PolarHBondContact O-N 3.3Å; T96-T99 VanDerWaalsContact O-N 3.16Å; T96-T99 PolarHBondContact O-OG1 3.27Å; T96-T99 PolarHBondContact OG1-OG1 3.39Å; T99-K103 HydrophobicContact CG2-CB 3.86Å; T99-K103 HydrophobicContact CG2-CG 3.98Å; T99-F104 HydrophobicContact CG2-CB 4.28Å; T99-M107 HydrophobicContact CG2-SD 4.24Å
100	T	91.3	Very high	86.8	Confident	86 Å²	86	70.4 Å²	70.4	53%	0.528	37%	0.371	S	S	.	.			trans	-77	158.5	175.1	64.6	0	0	0	0	110.8	G98 Q102 K103 F104	G98-T100 PolarHBondContact O-N 3Å; T100-Q102 PolarHBondContact O-N 3.08Å; T100-K103 PolarHBondContact O-N 2.93Å; T100-K103 WeakPolarHBondContact OG1-CB 3.26Å; T100-K103 PolarHBondContact OG1-N 2.81Å; T100-F104 PolarHBondContact O-N 3.1Å
101	V	91	Very high	88.4	Confident	74 Å²	74	67.8 Å²	67.8	45%	0.448	35%	0.354	S	S	.	.	H	α-helix	trans	-56	-41.2	175.9	-180	0	0	0	0	111.4	K103 F104 K105	V101-K103 VanDerWaalsContact C-N 3.33Å; V101-K103 PolarHBondContact O-N 3.39Å; V101-F104 WeakPolarHBondContact O-CB 3.41Å; V101-F104 PolarHBondContact O-N 3.42Å; V101-K105 PolarHBondContact O-N 2.95Å
102	Q	92.7	Very high	89.8	Confident	116 Å²	116	66 Å²	66	54%	0.542	35%	0.345	S	S	.	.	H	α-helix	trans	-62.9	-40.9	176.4	-174.8	60.2	21.9	0	0	111.8	T100 F104 K105 E106	T100-Q102 PolarHBondContact O-N 3.08Å; Q102-F104 VanDerWaalsContact C-N 3.34Å; Q102-K105 WeakPolarHBondContact O-CB 3.2Å; Q102-K105 PolarHBondContact O-N 3.31Å; Q102-E106 PolarHBondContact O-N 3.07Å; Q102-E106 VanDerWaalsContact O-N 3.08Å
103	K	93.4	Very high	90.7	Very high	103 Å²	103	70 Å²	70	45%	0.448	36%	0.362	S	S	.	.	H	α-helix	trans	-67.4	-38.7	177.2	-171.8	58.6	178.8	177.2	0	111.7	T99 T100 V101 K105 E106 M107	T99-K103 HydrophobicContact CG2-CB 3.86Å; T99-K103 HydrophobicContact CG2-CG 3.98Å; T100-K103 PolarHBondContact O-N 2.93Å; T100-K103 WeakPolarHBondContact OG1-CB 3.26Å; T100-K103 PolarHBondContact OG1-N 2.81Å; V101-K103 VanDerWaalsContact C-N 3.33Å; V101-K103 PolarHBondContact O-N 3.39Å; K103-K105 VanDerWaalsContact C-N 3.33Å; K103-E106 VanDerWaalsContact CD-OE2 3.26Å; K103-E106 WeakPolarHBondContact CD-OE2 3.5Å; K103-E106 IonicContact NZ-OE2 2.84Å; K103-E106 PolarHBondContact NZ-OE2 3.36Å; K103-E106 WeakPolarHBondContact O-CB 3.44Å; K103-E106 PolarHBondContact O-N 3.07Å; K103-M107 WeakPolarHBondContact O-CG 3.28Å; K103-M107 PolarHBondContact O-N 2.84Å
104	F	94.1	Very high	91.2	Very high	4 Å²	4	68.7 Å²	68.7	2%	0.018	37%	0.365	C	S	.	.	H	α-helix	trans	-61.2	-43.1	173.3	-179.3	-119.8	0	0	0	111.4	P95 T99 T100 V101 Q102 E106 M107 V108 L130 V141 A146 A149 W150	P95-F104 HydrophobicContact CB-CD2 4.42Å; P95-F104 HydrophobicContact CG-CD2 3.92Å; P95-F104 HydrophobicContact CG-CE2 4.25Å; T99-F104 HydrophobicContact CG2-CB 4.28Å; T100-F104 PolarHBondContact O-N 3.1Å; V101-F104 WeakPolarHBondContact O-CB 3.41Å; V101-F104 PolarHBondContact O-N 3.42Å; Q102-F104 VanDerWaalsContact C-N 3.34Å; F104-E106 VanDerWaalsContact C-N 3.33Å; F104-E106 PolarHBondContact O-N 3.15Å; F104-M107 WeakPolarHBondContact O-CB 3.46Å; F104-M107 PolarHBondContact O-N 2.86Å; F104-M107 VanDerWaalsContact O-N 3.08Å; F104-V108 HydrophobicContact CD1-CG2 4.42Å; F104-V108 HydrophobicContact CD2-CG2 4.23Å; F104-V108 HydrophobicContact CE1-CG2 4.03Å; F104-V108 HydrophobicContact CE2-CG2 3.83Å; F104-V108 HydrophobicContact CZ-CG2 3.72Å; F104-V108 WeakPolarHBondContact O-CG2 3.44Å; F104-V108 PolarHBondContact O-N 3.44Å; F104-L130 HydrophobicContact CD1-CD2 3.7Å; F104-L130 HydrophobicContact CE1-CD2 3.82Å; F104-V141 HydrophobicContact CD1-CG1 4.45Å; F104-V141 HydrophobicContact CE1-CG1 4.27Å; F104-A146 HydrophobicContact CD1-CB 4.12Å; F104-A146 HydrophobicContact CD2-CB 4.03Å; F104-A146 HydrophobicContact CE1-CB 4Å; F104-A146 HydrophobicContact CE2-CB 3.9Å; F104-A146 WeakPolarHBondContact CE2-O 3.25Å; F104-A146 HydrophobicContact CG-CB 4.14Å; F104-A146 HydrophobicContact CZ-CB 3.89Å; F104-A146 WeakPolarHBondContact CZ-O 3.49Å; F104-A149 HydrophobicContact CZ-CB 4.29Å; F104-W150 HydrophobicContact CE2-CB 4.32Å; F104-W150 HydrophobicContact CE2-CE3 4.13Å
105	K	95	Very high	91.5	Very high	57 Å²	57	64 Å²	64	25%	0.248	35%	0.345	C	S	.	.	H	α-helix	trans	-54.9	-46.2	173.8	-169	176.8	-174.2	162.9	0	112.4	V101 Q102 K103 M107 V108 Y109 V126 N127 L130	V101-K105 PolarHBondContact O-N 2.95Å; Q102-K105 WeakPolarHBondContact O-CB 3.2Å; Q102-K105 PolarHBondContact O-N 3.31Å; K103-K105 VanDerWaalsContact C-N 3.33Å; K105-M107 VanDerWaalsContact C-N 3.35Å; K105-M107 PolarHBondContact O-N 3.03Å; K105-V108 PolarHBondContact O-N 3.38Å; K105-Y109 WeakPolarHBondContact O-CB 3.36Å; K105-Y109 PolarHBondContact O-N 3.12Å; K105-V126 HydrophobicContact CB-CG1 4.48Å; K105-V126 HydrophobicContact CD-CG1 4.4Å; K105-V126 HydrophobicContact CG-CG1 3.48Å; K105-V126 VanDerWaalsContact CG-CG1 3.48Å; K105-N127 WeakPolarHBondContact CE-OD1 3.28Å; K105-N127 PolarHBondContact NZ-OD1 3.4Å; K105-L130 HydrophobicContact CB-CD1 4.37Å; K105-L130 HydrophobicContact CD-CD1 4.16Å; K105-L130 HydrophobicContact CG-CD1 4.06Å
106	E	94.6	Very high	91.7	Very high	83 Å²	83	64.2 Å²	64.2	39%	0.388	35%	0.346	S	S	.	.	H	α-helix	trans	-63.5	-38.5	175.6	-69.5	170.3	-169.1	0	0	112.9	Q102 K103 F104 Y109 S110	Q102-E106 PolarHBondContact O-N 3.07Å; Q102-E106 VanDerWaalsContact O-N 3.08Å; K103-E106 VanDerWaalsContact CD-OE2 3.26Å; K103-E106 WeakPolarHBondContact CD-OE2 3.5Å; K103-E106 IonicContact NZ-OE2 2.84Å; K103-E106 PolarHBondContact NZ-OE2 3.36Å; K103-E106 WeakPolarHBondContact O-CB 3.44Å; K103-E106 PolarHBondContact O-N 3.07Å; F104-E106 VanDerWaalsContact C-N 3.33Å; F104-E106 PolarHBondContact O-N 3.15Å; E106-Y109 PolarHBondContact O-N 2.85Å; E106-S110 WeakPolarHBondContact O-CB 3.39Å; E106-S110 PolarHBondContact O-N 2.77Å; E106-S110 PolarHBondContact O-OG 3.15Å
107	M	94.1	Very high	91.7	Very high	44 Å²	44	60.4 Å²	60.4	22%	0.217	33%	0.325	C	S	.	.	H	α-helix	trans	-64	-46.1	176.6	-71.4	175.8	60.4	0	0	111.2	K94 P95 T99 K103 F104 K105 S110 L111 W150	K94-M107 HydrophobicContact CB-CE 4.41Å; P95-M107 HydrophobicContact CB-CE 4.19Å; P95-M107 HydrophobicContact CB-SD 4.21Å; T99-M107 HydrophobicContact CG2-SD 4.24Å; K103-M107 WeakPolarHBondContact O-CG 3.28Å; K103-M107 PolarHBondContact O-N 2.84Å; F104-M107 WeakPolarHBondContact O-CB 3.46Å; F104-M107 PolarHBondContact O-N 2.86Å; F104-M107 VanDerWaalsContact O-N 3.08Å; K105-M107 VanDerWaalsContact C-N 3.35Å; K105-M107 PolarHBondContact O-N 3.03Å; M107-S110 PolarHBondContact O-N 3.37Å; M107-L111 PolarHBondContact O-N 3.47Å; M107-W150 HydrophobicContact CB-CH2 4.15Å; M107-W150 HydrophobicContact CB-CZ3 3.77Å; M107-W150 HydrophobicContact CE-CE3 4.45Å; M107-W150 HydrophobicContact CE-CH2 4.23Å; M107-W150 HydrophobicContact CE-CZ2 4.39Å; M107-W150 HydrophobicContact CE-CZ3 4.28Å
108	V	94.6	Very high	91.8	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.2	-43.5	177.4	178.1	0	0	0	0	110.4	F104 K105 S110 L111 F112 V126 I129 W150 L153	F104-V108 HydrophobicContact CD1-CG2 4.42Å; F104-V108 HydrophobicContact CD2-CG2 4.23Å; F104-V108 HydrophobicContact CE1-CG2 4.03Å; F104-V108 HydrophobicContact CE2-CG2 3.83Å; F104-V108 HydrophobicContact CZ-CG2 3.72Å; F104-V108 WeakPolarHBondContact O-CG2 3.44Å; F104-V108 PolarHBondContact O-N 3.44Å; K105-V108 PolarHBondContact O-N 3.38Å; V108-S110 VanDerWaalsContact C-N 3.32Å; V108-S110 PolarHBondContact O-N 2.89Å; V108-L111 WeakPolarHBondContact O-CB 3.41Å; V108-L111 PolarHBondContact O-N 2.87Å; V108-F112 HydrophobicContact CG1-CD2 3.91Å; V108-F112 HydrophobicContact CG1-CE2 3.5Å; V108-F112 HydrophobicContact CG1-CZ 3.94Å; V108-F112 WeakPolarHBondContact O-CG 3.33Å; V108-F112 PolarHBondContact O-N 3.01Å; V108-V126 HydrophobicContact CB-CG1 4.37Å; V108-V126 HydrophobicContact CG1-CG1 4.27Å; V108-V126 HydrophobicContact CG1-CG2 4.09Å; V108-I129 HydrophobicContact CG1-CG2 4.21Å; V108-W150 HydrophobicContact CG2-CE3 4.38Å; V108-W150 HydrophobicContact CG2-CZ3 4.39Å; V108-L153 HydrophobicContact CG1-CD1 4.09Å; V108-L153 HydrophobicContact CG2-CD1 4.18Å
109	Y	95.3	Very high	91.8	Very high	89 Å²	89	55 Å²	55	35%	0.349	29%	0.291	S	S	.	.	H	α-helix	trans	-58	-45.7	175.1	-174.2	-85.6	0	0	0	111.8	K105 E106 L111 F112 K113 L122 V126	K105-Y109 WeakPolarHBondContact O-CB 3.36Å; K105-Y109 PolarHBondContact O-N 3.12Å; E106-Y109 PolarHBondContact O-N 2.85Å; Y109-L111 PolarHBondContact O-N 3.4Å; Y109-F112 PolarHBondContact O-N 2.8Å; Y109-K113 HydrophobicContact CE1-CD 4.4Å; Y109-K113 WeakPolarHBondContact O-CB 3.36Å; Y109-K113 PolarHBondContact O-N 3.16Å; Y109-L122 HydrophobicContact CD2-CB 4.16Å; Y109-L122 HydrophobicContact CE2-CB 3.68Å; Y109-L122 HydrophobicContact CE2-CD1 4.35Å; Y109-V126 HydrophobicContact CD2-CG2 4.11Å
110	S	93.7	Very high	91.5	Very high	73 Å²	73	56.9 Å²	56.9	51%	0.51	32%	0.318	S	S	.	.	H	α-helix	trans	-65.2	-38.6	178.8	-57.9	0	0	0	0	112	E106 M107 V108 F112 K113 A114	E106-S110 WeakPolarHBondContact O-CB 3.39Å; E106-S110 PolarHBondContact O-N 2.77Å; E106-S110 PolarHBondContact O-OG 3.15Å; M107-S110 PolarHBondContact O-N 3.37Å; V108-S110 VanDerWaalsContact C-N 3.32Å; V108-S110 PolarHBondContact O-N 2.89Å; S110-F112 VanDerWaalsContact C-N 3.34Å; S110-K113 PolarHBondContact O-N 3.1Å; S110-A114 WeakPolarHBondContact O-CB 3.49Å; S110-A114 PolarHBondContact O-N 3.39Å
111	L	92.1	Very high	91.4	Very high	22 Å²	22	55.8 Å²	55.8	12%	0.115	31%	0.309	C	S	.	.	H	α-helix	trans	-60.6	-44.8	173.3	178.2	65.4	0	0	0	111	M107 V108 Y109 A114 K115 W150 L153	M107-L111 PolarHBondContact O-N 3.47Å; V108-L111 WeakPolarHBondContact O-CB 3.41Å; V108-L111 PolarHBondContact O-N 2.87Å; Y109-L111 PolarHBondContact O-N 3.4Å; L111-A114 PolarHBondContact O-N 3.03Å; L111-K115 HydrophobicContact CD1-CD 4.32Å; L111-K115 HydrophobicContact CD1-CG 4.28Å; L111-K115 HydrophobicContact CG-CD 4.44Å; L111-K115 WeakPolarHBondContact O-CB 3.34Å; L111-K115 WeakPolarHBondContact O-CG 3.26Å; L111-K115 PolarHBondContact O-N 3.21Å; L111-W150 HydrophobicContact CB-CH2 3.9Å; L111-W150 HydrophobicContact CB-CZ3 4.09Å; L111-W150 HydrophobicContact CD2-CE3 4.4Å; L111-W150 HydrophobicContact CD2-CH2 4.11Å; L111-W150 HydrophobicContact CD2-CZ3 4.02Å; L111-W150 HydrophobicContact CG-CH2 4.42Å; L111-L153 HydrophobicContact CD2-CB 3.79Å; L111-L153 HydrophobicContact CD2-CD1 4.37Å
112	F	93.4	Very high	91.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-69.8	-39.1	178.4	-67.5	-25.4	0	0	0	113.3	V108 Y109 S110 A114 K115 L116 L122 L125 V126 I129 L153 L159	V108-F112 HydrophobicContact CG1-CD2 3.91Å; V108-F112 HydrophobicContact CG1-CE2 3.5Å; V108-F112 HydrophobicContact CG1-CZ 3.94Å; V108-F112 WeakPolarHBondContact O-CG 3.33Å; V108-F112 PolarHBondContact O-N 3.01Å; Y109-F112 PolarHBondContact O-N 2.8Å; S110-F112 VanDerWaalsContact C-N 3.34Å; F112-A114 VanDerWaalsContact C-N 3.27Å; F112-A114 PolarHBondContact O-N 3.39Å; F112-K115 PolarHBondContact O-N 3Å; F112-K115 VanDerWaalsContact O-N 3.16Å; F112-L116 HydrophobicContact CB-CD1 4.38Å; F112-L116 WeakPolarHBondContact O-CA 3.39Å; F112-L116 VanDerWaalsContact O-CB 3.32Å; F112-L116 WeakPolarHBondContact O-CB 3.27Å; F112-L116 PolarHBondContact O-N 2.65Å; F112-L122 HydrophobicContact CB-CD2 3.95Å; F112-L125 HydrophobicContact CD1-CD2 4.49Å; F112-L125 HydrophobicContact CD2-CB 4.45Å; F112-L125 HydrophobicContact CD2-CD2 3.85Å; F112-L125 HydrophobicContact CD2-CG 3.99Å; F112-L125 HydrophobicContact CE1-CD2 4.39Å; F112-L125 HydrophobicContact CE2-CB 4.25Å; F112-L125 HydrophobicContact CE2-CD2 3.76Å; F112-L125 HydrophobicContact CE2-CG 3.52Å; F112-L125 HydrophobicContact CG-CD2 4.2Å; F112-L125 HydrophobicContact CZ-CD2 3.99Å; F112-L125 HydrophobicContact CZ-CG 3.93Å; F112-V126 HydrophobicContact CD2-CG2 3.75Å; F112-V126 HydrophobicContact CE2-CG2 4.11Å; F112-I129 HydrophobicContact CE2-CG1 3.78Å; F112-I129 HydrophobicContact CZ-CD1 4.25Å; F112-I129 HydrophobicContact CZ-CG1 3.49Å; F112-I129 VanDerWaalsContact CZ-CG1 3.49Å; F112-L153 HydrophobicContact CE1-CD2 3.99Å; F112-L153 HydrophobicContact CZ-CD2 3.85Å; F112-L159 HydrophobicContact CE1-CD1 3.62Å; F112-L159 HydrophobicContact CE1-CD2 4.34Å; F112-L159 HydrophobicContact CZ-CD1 3.83Å
113	K	92.8	Very high	91.4	Very high	90 Å²	90	49.8 Å²	49.8	39%	0.391	28%	0.284	S	S	.	.	H	α-helix	trans	-60.1	-41.5	172.8	-174.6	166.7	-176.5	141.7	0	111.4	Y109 S110 G117 D118 L122	Y109-K113 HydrophobicContact CE1-CD 4.4Å; Y109-K113 WeakPolarHBondContact O-CB 3.36Å; Y109-K113 PolarHBondContact O-N 3.16Å; S110-K113 PolarHBondContact O-N 3.1Å; K113-G117 CarbonylContact O-C 3.59Å; K113-G117 WeakPolarHBondContact O-CA 3.49Å; K113-G117 PolarHBondContact O-N 2.82Å; K113-D118 WeakPolarHBondContact CE-OD1 3.35Å; K113-D118 IonicContact NZ-OD1 3.63Å; K113-D118 PolarHBondContact NZ-OD1 3.45Å; K113-D118 IonicContact NZ-OD2 2.75Å; K113-D118 PolarHBondContact NZ-OD2 3.42Å; K113-D118 VanDerWaalsContact NZ-OD2 3.12Å; K113-L122 HydrophobicContact CB-CD1 4.16Å
114	A	90	Very high	91.4	Very high	70 Å²	70	50.3 Å²	50.3	58%	0.579	29%	0.287	S	S	*	.	H	α-helix	trans	-66.3	-40.5	174.7	0	0	0	0	0	112.1	S110 L111 F112 N276	S110-A114 WeakPolarHBondContact O-CB 3.49Å; S110-A114 PolarHBondContact O-N 3.39Å; L111-A114 PolarHBondContact O-N 3.03Å; F112-A114 VanDerWaalsContact C-N 3.27Å; F112-A114 PolarHBondContact O-N 3.39Å; A114-N276 PolarHBondContact O-OD1 2.93Å; A114-N276 VanDerWaalsContact O-OD1 3.06Å
115	K	90.1	Very high	91.4	Very high	19 Å²	19	50.1 Å²	50.1	8%	0.083	29%	0.286	C	S	.	.	H	α-helix	trans	-78.3	-40.2	-175.8	-78.5	-164.2	165.6	-160.7	0	114.7	L111 F112 L153 Q154 N156 P273 N276	L111-K115 HydrophobicContact CD1-CD 4.32Å; L111-K115 HydrophobicContact CD1-CG 4.28Å; L111-K115 HydrophobicContact CG-CD 4.44Å; L111-K115 WeakPolarHBondContact O-CB 3.34Å; L111-K115 WeakPolarHBondContact O-CG 3.26Å; L111-K115 PolarHBondContact O-N 3.21Å; F112-K115 PolarHBondContact O-N 3Å; F112-K115 VanDerWaalsContact O-N 3.16Å; K115-L153 PolarHBondContact NZ-O 3.15Å; K115-Q154 PolarHBondContact NZ-O 3.47Å; K115-N156 PolarHBondContact NZ-OD1 2.89Å; K115-P273 WeakPolarHBondContact O-CB 3.3Å; K115-P273 WeakPolarHBondContact O-CG 3.25Å; K115-N276 WeakPolarHBondContact CA-OD1 3.41Å; K115-N276 PolarHBondContact O-ND2 3.5Å; K115-N276 PolarHBondContact O-OD1 3.28Å
116	L	91.1	Very high	91.4	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-112.6	-11.2	-166.6	-54.3	178.5	0	0	0	112.1	F112 Q119 L122 L125 L159 F245 P273 T275	F112-L116 HydrophobicContact CB-CD1 4.38Å; F112-L116 WeakPolarHBondContact O-CA 3.39Å; F112-L116 VanDerWaalsContact O-CB 3.32Å; F112-L116 WeakPolarHBondContact O-CB 3.27Å; F112-L116 PolarHBondContact O-N 2.65Å; L116-Q119 HydrophobicContact CB-CG 4.25Å; L116-Q119 PolarHBondContact O-NE2 3.03Å; L116-L122 HydrophobicContact CB-CD2 4.46Å; L116-L122 HydrophobicContact CD1-CD2 4.1Å; L116-L125 HydrophobicContact CD1-CD2 3.73Å; L116-L159 HydrophobicContact CD2-CD2 4.33Å; L116-F245 HydrophobicContact CD2-CE1 3.9Å; L116-F245 HydrophobicContact CD2-CZ 3.65Å; L116-P273 HydrophobicContact CD2-CB 3.87Å; L116-P273 HydrophobicContact CD2-CG 3.71Å; L116-T275 PolarHBondContact O-OG1 3.33Å; L116-T275 VanDerWaalsContact O-OG1 3.11Å
117	G	88.6	Confident	91.4	Very high	14 Å²	14	46.7 Å²	46.7	14%	0.144	27%	0.274	C	S	.	.			trans	81	-168.8	-170.3	0	0	0	0	0	112.2	K113 Q119	K113-G117 CarbonylContact O-C 3.59Å; K113-G117 WeakPolarHBondContact O-CA 3.49Å; K113-G117 PolarHBondContact O-N 2.82Å; G117-Q119 PolarHBondContact O-N 3.42Å; G117-Q119 VanDerWaalsContact O-N 3.15Å
118	D	86.6	Confident	91.4	Very high	115 Å²	115	46.5 Å²	46.5	62%	0.615	27%	0.274	S	S	*	.	S	Bend	trans	-83.2	89.7	-178.7	-141.9	16.7	0	0	0	110.1	K113	K113-D118 WeakPolarHBondContact CE-OD1 3.35Å; K113-D118 IonicContact NZ-OD1 3.63Å; K113-D118 PolarHBondContact NZ-OD1 3.45Å; K113-D118 IonicContact NZ-OD2 2.75Å; K113-D118 PolarHBondContact NZ-OD2 3.42Å; K113-D118 VanDerWaalsContact NZ-OD2 3.12Å
119	Q	85.9	Confident	91.4	Very high	55 Å²	55	46.7 Å²	46.7	26%	0.257	27%	0.274	S	S	.	.			trans	-98.6	142.4	177.7	-51.9	-65.8	-27.5	0	0	110.4	L116 G117 N121 L122	L116-Q119 HydrophobicContact CB-CG 4.25Å; L116-Q119 PolarHBondContact O-NE2 3.03Å; G117-Q119 PolarHBondContact O-N 3.42Å; G117-Q119 VanDerWaalsContact O-N 3.15Å; Q119-N121 VanDerWaalsContact C-N 3.25Å; Q119-N121 PolarHBondContact O-N 2.87Å; Q119-L122 HydrophobicContact CB-CD2 3.88Å; Q119-L122 HydrophobicContact CB-CG 3.86Å; Q119-L122 HydrophobicContact CG-CD2 4.23Å; Q119-L122 WeakPolarHBondContact O-CG 2.95Å
120	G	81.3	Confident	91.3	Very high	76 Å²	76	43.7 Å²	43.7	78%	0.784	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-30.3	-179.3	0	0	0	0	0	113.9
121	N	88.9	Confident	91.4	Very high	64 Å²	64	45 Å²	45	34%	0.342	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	14.3	-171.7	-58.2	-24	0	0	0	113.7	Q119 S123 E124 L125 Y242	Q119-N121 VanDerWaalsContact C-N 3.25Å; Q119-N121 PolarHBondContact O-N 2.87Å; N121-S123 PolarHBondContact O-N 3.22Å; N121-E124 WeakPolarHBondContact O-CB 3.47Å; N121-E124 PolarHBondContact O-N 3Å; N121-E124 VanDerWaalsContact O-N 3.1Å; N121-L125 PolarHBondContact O-N 3.1Å; N121-Y242 HydrophobicContact CB-CD1 4.16Å; N121-Y242 HydrophobicContact CB-CE1 3.87Å; N121-Y242 WeakPolarHBondContact O-CE1 3.4Å
122	L	91.7	Very high	91.4	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-57.7	-34.8	-178.7	-71.3	-175.6	0	0	0	112.9	Y109 F112 K113 L116 Q119 E124 L125 V126	Y109-L122 HydrophobicContact CD2-CB 4.16Å; Y109-L122 HydrophobicContact CE2-CB 3.68Å; Y109-L122 HydrophobicContact CE2-CD1 4.35Å; F112-L122 HydrophobicContact CB-CD2 3.95Å; K113-L122 HydrophobicContact CB-CD1 4.16Å; L116-L122 HydrophobicContact CB-CD2 4.46Å; L116-L122 HydrophobicContact CD1-CD2 4.1Å; Q119-L122 HydrophobicContact CB-CD2 3.88Å; Q119-L122 HydrophobicContact CB-CG 3.86Å; Q119-L122 HydrophobicContact CG-CD2 4.23Å; Q119-L122 WeakPolarHBondContact O-CG 2.95Å; L122-E124 VanDerWaalsContact C-N 3.29Å; L122-E124 PolarHBondContact O-N 3.15Å; L122-L125 PolarHBondContact O-N 3.42Å; L122-V126 VanDerWaalsContact O-CG2 3.27Å; L122-V126 WeakPolarHBondContact O-CG2 3.44Å; L122-V126 PolarHBondContact O-N 3.11Å
123	S	93.1	Very high	91.4	Very high	63 Å²	63	45.5 Å²	45.5	44%	0.441	27%	0.273	S	S	.	.	H	α-helix	trans	-60.9	-38.6	178.8	-171.3	0	0	0	0	112.3	N121 V126 N127	N121-S123 PolarHBondContact O-N 3.22Å; S123-V126 PolarHBondContact O-N 3.37Å; S123-N127 VanDerWaalsContact O-CG 3.29Å; S123-N127 PolarHBondContact O-N 3.37Å; S123-N127 VanDerWaalsContact O-N 3.09Å; S123-N127 PolarHBondContact O-ND2 3.23Å
124	E	93.4	Very high	91.5	Very high	113 Å²	113	42.5 Å²	42.5	53%	0.528	26%	0.261	S	S	.	.	H	α-helix	trans	-67.5	-44.1	177.1	-61.9	179.8	171.3	0	0	111	N121 L122 V126 N127 L128	N121-E124 WeakPolarHBondContact O-CB 3.47Å; N121-E124 PolarHBondContact O-N 3Å; N121-E124 VanDerWaalsContact O-N 3.1Å; L122-E124 VanDerWaalsContact C-N 3.29Å; L122-E124 PolarHBondContact O-N 3.15Å; E124-V126 VanDerWaalsContact C-N 3.29Å; E124-V126 PolarHBondContact O-N 3.15Å; E124-N127 PolarHBondContact O-N 2.92Å; E124-N127 VanDerWaalsContact O-N 3.12Å; E124-L128 PolarHBondContact O-N 3.41Å
125	L	93.8	Very high	91.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.7	-40.3	176	-175.5	58.3	0	0	0	111.7	F112 L116 N121 L122 N127 L128 I129 L159 I163 Y242	F112-L125 HydrophobicContact CD1-CD2 4.49Å; F112-L125 HydrophobicContact CD2-CB 4.45Å; F112-L125 HydrophobicContact CD2-CD2 3.85Å; F112-L125 HydrophobicContact CD2-CG 3.99Å; F112-L125 HydrophobicContact CE1-CD2 4.39Å; F112-L125 HydrophobicContact CE2-CB 4.25Å; F112-L125 HydrophobicContact CE2-CD2 3.76Å; F112-L125 HydrophobicContact CE2-CG 3.52Å; F112-L125 HydrophobicContact CG-CD2 4.2Å; F112-L125 HydrophobicContact CZ-CD2 3.99Å; F112-L125 HydrophobicContact CZ-CG 3.93Å; L116-L125 HydrophobicContact CD1-CD2 3.73Å; N121-L125 PolarHBondContact O-N 3.1Å; L122-L125 PolarHBondContact O-N 3.42Å; L125-N127 VanDerWaalsContact C-N 3.35Å; L125-N127 PolarHBondContact O-N 3.25Å; L125-L128 HydrophobicContact CD1-CD2 4.36Å; L125-L128 WeakPolarHBondContact O-CB 3.41Å; L125-L128 PolarHBondContact O-N 2.93Å; L125-I129 WeakPolarHBondContact O-CG1 3.21Å; L125-I129 PolarHBondContact O-N 3.5Å; L125-L159 HydrophobicContact CD2-CD1 4.33Å; L125-I163 HydrophobicContact CD1-CD1 4.39Å; L125-I163 HydrophobicContact CD1-CG1 3.72Å; L125-I163 HydrophobicContact CD2-CD1 4.35Å; L125-Y242 HydrophobicContact CB-CD1 3.97Å; L125-Y242 HydrophobicContact CB-CE1 3.65Å; L125-Y242 HydrophobicContact CD1-CD2 4.24Å; L125-Y242 HydrophobicContact CD1-CE2 3.93Å; L125-Y242 HydrophobicContact CD2-CD1 4.13Å; L125-Y242 HydrophobicContact CD2-CD2 4.29Å; L125-Y242 HydrophobicContact CD2-CG 4Å; L125-Y242 HydrophobicContact CG-CE1 4.46Å
126	V	95.3	Very high	91.4	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	26%	0.264	C	S	.	.	H	α-helix	trans	-61.6	-43.5	174.9	175	0	0	0	0	111	K105 V108 Y109 F112 L122 S123 E124 L128 I129 L130	K105-V126 HydrophobicContact CB-CG1 4.48Å; K105-V126 HydrophobicContact CD-CG1 4.4Å; K105-V126 HydrophobicContact CG-CG1 3.48Å; K105-V126 VanDerWaalsContact CG-CG1 3.48Å; V108-V126 HydrophobicContact CB-CG1 4.37Å; V108-V126 HydrophobicContact CG1-CG1 4.27Å; V108-V126 HydrophobicContact CG1-CG2 4.09Å; Y109-V126 HydrophobicContact CD2-CG2 4.11Å; F112-V126 HydrophobicContact CD2-CG2 3.75Å; F112-V126 HydrophobicContact CE2-CG2 4.11Å; L122-V126 VanDerWaalsContact O-CG2 3.27Å; L122-V126 WeakPolarHBondContact O-CG2 3.44Å; L122-V126 PolarHBondContact O-N 3.11Å; S123-V126 PolarHBondContact O-N 3.37Å; E124-V126 VanDerWaalsContact C-N 3.29Å; E124-V126 PolarHBondContact O-N 3.15Å; V126-L128 VanDerWaalsContact C-N 3.34Å; V126-I129 PolarHBondContact O-N 3.19Å; V126-L130 HydrophobicContact CG1-CD1 4.31Å; V126-L130 WeakPolarHBondContact O-CG 3.26Å; V126-L130 PolarHBondContact O-N 2.93Å
127	N	94.1	Very high	91.4	Very high	67 Å²	67	52.3 Å²	52.3	36%	0.358	30%	0.301	S	S	.	.	H	α-helix	trans	-65.8	-37.9	177.5	-64.5	-28	0	0	0	111.9	K105 S123 E124 L125 L130 T131	K105-N127 WeakPolarHBondContact CE-OD1 3.28Å; K105-N127 PolarHBondContact NZ-OD1 3.4Å; S123-N127 VanDerWaalsContact O-CG 3.29Å; S123-N127 PolarHBondContact O-N 3.37Å; S123-N127 VanDerWaalsContact O-N 3.09Å; S123-N127 PolarHBondContact O-ND2 3.23Å; E124-N127 PolarHBondContact O-N 2.92Å; E124-N127 VanDerWaalsContact O-N 3.12Å; L125-N127 VanDerWaalsContact C-N 3.35Å; L125-N127 PolarHBondContact O-N 3.25Å; N127-L130 PolarHBondContact O-N 2.94Å; N127-T131 PolarHBondContact O-N 3.24Å; N127-T131 PolarHBondContact O-OG1 2.79Å
128	L	93.4	Very high	91.6	Very high	40 Å²	40	55.9 Å²	55.9	21%	0.209	32%	0.316	C	S	.	.	H	α-helix	trans	-60.3	-46.1	173.8	178.6	61.2	0	0	0	110.9	E124 L125 V126 L130 T131 V132 V162	E124-L128 PolarHBondContact O-N 3.41Å; L125-L128 HydrophobicContact CD1-CD2 4.36Å; L125-L128 WeakPolarHBondContact O-CB 3.41Å; L125-L128 PolarHBondContact O-N 2.93Å; V126-L128 VanDerWaalsContact C-N 3.34Å; L128-L130 PolarHBondContact O-N 3.33Å; L128-T131 WeakPolarHBondContact O-CB 3.46Å; L128-T131 PolarHBondContact O-N 3.49Å; L128-V132 WeakPolarHBondContact O-CG2 3.47Å; L128-V132 PolarHBondContact O-N 3.28Å; L128-V162 HydrophobicContact CD1-CG1 4.47Å; L128-V162 HydrophobicContact CD2-CG1 3.61Å; L128-V162 HydrophobicContact CG-CG1 3.68Å
129	I	94.6	Very high	91.8	Very high	3 Å²	3	53.5 Å²	53.5	2%	0.015	32%	0.318	C	S	.	.	H	α-helix	trans	-61	-42.8	174.8	-70	-43	0	0	0	112.5	V108 F112 L125 V126 T131 V132 A133 L153 V162	V108-I129 HydrophobicContact CG1-CG2 4.21Å; F112-I129 HydrophobicContact CE2-CG1 3.78Å; F112-I129 HydrophobicContact CZ-CD1 4.25Å; F112-I129 HydrophobicContact CZ-CG1 3.49Å; F112-I129 VanDerWaalsContact CZ-CG1 3.49Å; L125-I129 WeakPolarHBondContact O-CG1 3.21Å; L125-I129 PolarHBondContact O-N 3.5Å; V126-I129 PolarHBondContact O-N 3.19Å; I129-T131 PolarHBondContact O-N 3.49Å; I129-V132 CarbonylContact O-C 3.57Å; I129-V132 PolarHBondContact O-N 3.31Å; I129-V132 VanDerWaalsContact O-N 3.13Å; I129-A133 VanDerWaalsContact O-CB 3.28Å; I129-A133 WeakPolarHBondContact O-CB 3.27Å; I129-A133 PolarHBondContact O-N 2.79Å; I129-L153 HydrophobicContact CD1-CD2 3.6Å; I129-L153 HydrophobicContact CG1-CD2 3.8Å; I129-L153 HydrophobicContact CG2-CD1 3.81Å; I129-L153 HydrophobicContact CG2-CD2 4.15Å; I129-L153 HydrophobicContact CG2-CG 4.43Å; I129-V162 HydrophobicContact CD1-CB 4.24Å; I129-V162 HydrophobicContact CD1-CG1 3.77Å; I129-V162 HydrophobicContact CD1-CG2 4.33Å
130	L	94.3	Very high	92	Very high	26 Å²	26	57.1 Å²	57.1	14%	0.136	34%	0.335	C	S	.	.	H	α-helix	trans	-61	-36.6	178	-70.7	172.5	0	0	0	111.2	F104 K105 V126 N127 L128 A133 D134 V141	F104-L130 HydrophobicContact CD1-CD2 3.7Å; F104-L130 HydrophobicContact CE1-CD2 3.82Å; K105-L130 HydrophobicContact CB-CD1 4.37Å; K105-L130 HydrophobicContact CD-CD1 4.16Å; K105-L130 HydrophobicContact CG-CD1 4.06Å; V126-L130 HydrophobicContact CG1-CD1 4.31Å; V126-L130 WeakPolarHBondContact O-CG 3.26Å; V126-L130 PolarHBondContact O-N 2.93Å; N127-L130 PolarHBondContact O-N 2.94Å; L128-L130 PolarHBondContact O-N 3.33Å; L130-A133 PolarHBondContact O-N 2.84Å; L130-D134 PolarHBondContact O-N 2.69Å; L130-V141 HydrophobicContact CD2-CG2 4.2Å
131	T	94.1	Very high	92.6	Very high	102 Å²	102	54.5 Å²	54.5	63%	0.626	30%	0.304	S	S	*	.	H	α-helix	trans	-67.9	-36.1	175	-50	0	0	0	0	112.2	N127 L128 I129	N127-T131 PolarHBondContact O-N 3.24Å; N127-T131 PolarHBondContact O-OG1 2.79Å; L128-T131 WeakPolarHBondContact O-CB 3.46Å; L128-T131 PolarHBondContact O-N 3.49Å; I129-T131 PolarHBondContact O-N 3.49Å
132	V	93.1	Very high	92.8	Very high	31 Å²	31	53.8 Å²	53.8	19%	0.188	30%	0.304	C	S	.	.	H	α-helix	trans	-74.4	-32	175	173.8	0	0	0	0	111.7	L128 I129 F158 V162 L173 F176	L128-V132 WeakPolarHBondContact O-CG2 3.47Å; L128-V132 PolarHBondContact O-N 3.28Å; I129-V132 CarbonylContact O-C 3.57Å; I129-V132 PolarHBondContact O-N 3.31Å; I129-V132 VanDerWaalsContact O-N 3.13Å; V132-F158 HydrophobicContact CG1-CZ 4.1Å; V132-V162 HydrophobicContact CG1-CG2 4.43Å; V132-V162 HydrophobicContact CG2-CG1 4.08Å; V132-V162 HydrophobicContact CG2-CG2 4.45Å; V132-L173 HydrophobicContact CG1-CD2 4.4Å; V132-F176 HydrophobicContact CG1-CE1 4.14Å; V132-F176 WeakPolarHBondContact O-CE1 3.45Å
133	A	93.9	Very high	92.9	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-71.7	-37.1	180	0	0	0	0	0	112.3	I129 L130 G135 V141 E145 A149	I129-A133 VanDerWaalsContact O-CB 3.28Å; I129-A133 WeakPolarHBondContact O-CB 3.27Å; I129-A133 PolarHBondContact O-N 2.79Å; L130-A133 PolarHBondContact O-N 2.84Å; A133-G135 VanDerWaalsContact C-N 3.27Å; A133-G135 PolarHBondContact O-N 2.86Å; A133-V141 HydrophobicContact CB-CG1 4.17Å; A133-V141 HydrophobicContact CB-CG2 4.46Å; A133-E145 VanDerWaalsContact O-CB 3.29Å; A133-E145 WeakPolarHBondContact O-CB 3.5Å; A133-E145 WeakPolarHBondContact O-CG 3.4Å; A133-A149 HydrophobicContact CB-CB 3.63Å
134	D	93.6	Very high	92.9	Very high	26 Å²	26	53.6 Å²	53.6	14%	0.139	30%	0.3	C	S	.	.			trans	-66.7	83.9	170.4	178.8	5.1	0	0	0	109.7	L130 K137 D138 G139 V141	L130-D134 PolarHBondContact O-N 2.69Å; D134-K137 WeakPolarHBondContact OD1-CA 3.21Å; D134-K137 PolarHBondContact OD1-N 3.22Å; D134-D138 PolarHBondContact OD1-N 2.8Å; D134-D138 VanDerWaalsContact OD1-N 3.11Å; D134-G139 WeakPolarHBondContact OD2-CA 3.25Å; D134-G139 PolarHBondContact OD2-N 3.12Å; D134-V141 HydrophobicContact CB-CG2 4.41Å
135	G	88.6	Confident	93	Very high	16 Å²	16	48.3 Å²	48.3	17%	0.165	28%	0.275	C	S	.	.	S	Bend	trans	-81.2	-30.3	-170.7	0	0	0	0	0	112.7	A133 E145	A133-G135 VanDerWaalsContact C-N 3.27Å; A133-G135 PolarHBondContact O-N 2.86Å; G135-E145 PolarHBondContact N-OE1 3.42Å
136	D	90.2	Very high	93	Very high	103 Å²	103	48.6 Å²	48.6	55%	0.551	28%	0.277	S	S	*	.	S	Bend	trans	-88.8	-9.8	176.3	73.1	2.3	0	0	0	113.5	D138 E145	D136-D138 VanDerWaalsContact C-N 3.33Å; D136-D138 WeakPolarHBondContact OD1-CB 3.38Å; D136-D138 PolarHBondContact OD1-N 2.81Å; D136-D138 VanDerWaalsContact OD1-N 3.07Å; D136-E145 PolarHBondContact N-OE1 2.87Å
137	K	91.7	Very high	93	Very high	181 Å²	181	49.6 Å²	49.6	79%	0.787	28%	0.281	S	S	*	.			trans	65.5	34	176.6	-53.5	179	-179.1	177.1	0	112.5	D134 G139	D134-K137 WeakPolarHBondContact OD1-CA 3.21Å; D134-K137 PolarHBondContact OD1-N 3.22Å; K137-G139 VanDerWaalsContact C-N 3.27Å
138	D	91.3	Very high	92.9	Very high	89 Å²	89	46.4 Å²	46.4	48%	0.476	26%	0.264	S	S	.	.	S	Bend	trans	-82.7	-5.4	176.1	87.3	-14.8	0	0	0	113.2	D134 D136 Q140	D134-D138 PolarHBondContact OD1-N 2.8Å; D134-D138 VanDerWaalsContact OD1-N 3.11Å; D136-D138 VanDerWaalsContact C-N 3.33Å; D136-D138 WeakPolarHBondContact OD1-CB 3.38Å; D136-D138 PolarHBondContact OD1-N 2.81Å; D136-D138 VanDerWaalsContact OD1-N 3.07Å; D138-Q140 VanDerWaalsContact C-N 3.33Å; D138-Q140 WeakPolarHBondContact OD1-CA 3.34Å; D138-Q140 WeakPolarHBondContact OD1-CB 3.35Å; D138-Q140 PolarHBondContact OD1-N 2.87Å
139	G	90.6	Very high	93	Very high	64 Å²	64	44.7 Å²	44.7	66%	0.66	26%	0.256	S	S	*	.	S	Bend	trans	84.5	4.4	-179.2	0	0	0	0	0	113.9	D134 K137	D134-G139 WeakPolarHBondContact OD2-CA 3.25Å; D134-G139 PolarHBondContact OD2-N 3.12Å; K137-G139 VanDerWaalsContact C-N 3.27Å
140	Q	90.8	Very high	92.9	Very high	131 Å²	131	46.2 Å²	46.2	61%	0.612	26%	0.261	S	S	*	.	S	Bend	trans	-122.1	165	176.4	-62.3	-179.9	91.6	0	0	109.9	D138	D138-Q140 VanDerWaalsContact C-N 3.33Å; D138-Q140 WeakPolarHBondContact OD1-CA 3.34Å; D138-Q140 WeakPolarHBondContact OD1-CB 3.35Å; D138-Q140 PolarHBondContact OD1-N 2.87Å
141	V	93.9	Very high	92.7	Very high	22 Å²	22	45.1 Å²	45.1	13%	0.133	26%	0.256	C	S	.	.			trans	-120.6	108.8	175.5	-176.9	0	0	0	0	107.5	F104 L130 A133 D134 E145 A146	F104-V141 HydrophobicContact CD1-CG1 4.45Å; F104-V141 HydrophobicContact CE1-CG1 4.27Å; L130-V141 HydrophobicContact CD2-CG2 4.2Å; A133-V141 HydrophobicContact CB-CG1 4.17Å; A133-V141 HydrophobicContact CB-CG2 4.46Å; D134-V141 HydrophobicContact CB-CG2 4.41Å; V141-E145 HydrophobicContact CG1-CB 3.94Å; V141-A146 HydrophobicContact CG1-CB 3.92Å
142	S	93.8	Very high	92.6	Very high	48 Å²	48	40.3 Å²	40.3	34%	0.336	23%	0.226	S	C	.	.			trans	-67.8	167.4	175.1	72.9	0	0	0	0	111.5	G144 E145 A146	S142-G144 VanDerWaalsContact C-N 3.31Å; S142-G144 PolarHBondContact O-N 2.97Å; S142-E145 VanDerWaalsContact CB-OE2 3.28Å; S142-E145 WeakPolarHBondContact CB-OE2 3.35Å; S142-E145 PolarHBondContact N-OE2 3.03Å; S142-E145 PolarHBondContact O-N 3.33Å; S142-E145 WeakPolarHBondContact OG-CB 3.36Å; S142-E145 VanDerWaalsContact OG-CG 3.26Å; S142-E145 WeakPolarHBondContact OG-CG 3.41Å; S142-E145 PolarHBondContact OG-N 2.75Å; S142-E145 PolarHBondContact OG-OE2 2.76Å; S142-A146 VanDerWaalsContact O-CB 3.31Å; S142-A146 WeakPolarHBondContact O-CB 3.35Å; S142-A146 PolarHBondContact O-N 2.89Å
143	L	93.4	Very high	92.5	Very high	55 Å²	55	38.8 Å²	38.8	29%	0.288	22%	0.217	S	C	.	.	H	α-helix	trans	-63.9	-37.5	177	-177.6	65.8	0	0	0	112.2	P95 R97 K147	P95-L143 HydrophobicContact CG-CD1 4.18Å; R97-L143 HydrophobicContact CB-CD2 4.27Å; R97-L143 HydrophobicContact CG-CD2 3.52Å; L143-K147 HydrophobicContact CD1-CG 4.47Å; L143-K147 HydrophobicContact CG-CD 4.25Å; L143-K147 WeakPolarHBondContact O-CB 3.44Å; L143-K147 VanDerWaalsContact O-CG 3.26Å; L143-K147 WeakPolarHBondContact O-CG 3.44Å; L143-K147 PolarHBondContact O-N 3.27Å
144	G	93.2	Very high	92.2	Very high	6 Å²	6	42.6 Å²	42.6	6%	0.062	24%	0.235	C	C	.	.	H	α-helix	trans	-67.3	-42.6	179.8	0	0	0	0	0	111.8	D28 S142 K147 S148	D28-G144 PolarHBondContact N-O 2.89Å; S142-G144 VanDerWaalsContact C-N 3.31Å; S142-G144 PolarHBondContact O-N 2.97Å; G144-K147 PolarHBondContact O-N 2.73Å; G144-S148 WeakPolarHBondContact O-CB 3.38Å; G144-S148 PolarHBondContact O-N 2.77Å; G144-S148 PolarHBondContact O-OG 3.2Å
145	E	95.2	Very high	92	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.009	24%	0.236	C	C	.	.	H	α-helix	trans	-62.5	-48.6	173.1	-73.7	170.6	136.4	0	0	111.7	D28 A133 G135 D136 V141 S142 K147 S148 A149	D28-E145 HydrophobicContact CB-CG 3.85Å; A133-E145 VanDerWaalsContact O-CB 3.29Å; A133-E145 WeakPolarHBondContact O-CB 3.5Å; A133-E145 WeakPolarHBondContact O-CG 3.4Å; G135-E145 PolarHBondContact N-OE1 3.42Å; D136-E145 PolarHBondContact N-OE1 2.87Å; V141-E145 HydrophobicContact CG1-CB 3.94Å; S142-E145 VanDerWaalsContact CB-OE2 3.28Å; S142-E145 WeakPolarHBondContact CB-OE2 3.35Å; S142-E145 PolarHBondContact N-OE2 3.03Å; S142-E145 PolarHBondContact O-N 3.33Å; S142-E145 WeakPolarHBondContact OG-CB 3.36Å; S142-E145 VanDerWaalsContact OG-CG 3.26Å; S142-E145 WeakPolarHBondContact OG-CG 3.41Å; S142-E145 PolarHBondContact OG-N 2.75Å; S142-E145 PolarHBondContact OG-OE2 2.76Å; E145-K147 VanDerWaalsContact C-N 3.29Å; E145-K147 PolarHBondContact O-N 3.2Å; E145-S148 PolarHBondContact O-N 3.4Å; E145-S148 VanDerWaalsContact O-N 3.15Å; E145-A149 WeakPolarHBondContact O-CB 3.24Å; E145-A149 PolarHBondContact O-N 2.85Å
146	A	94.8	Very high	92	Very high	6 Å²	6	43.5 Å²	43.5	5%	0.05	24%	0.236	C	C	.	.	H	α-helix	trans	-60.1	-39.3	179.3	0	0	0	0	0	112.2	P95 F104 V141 S142 W150	P95-A146 HydrophobicContact CG-CB 3.62Å; F104-A146 HydrophobicContact CD1-CB 4.12Å; F104-A146 HydrophobicContact CD2-CB 4.03Å; F104-A146 HydrophobicContact CE1-CB 4Å; F104-A146 HydrophobicContact CE2-CB 3.9Å; F104-A146 WeakPolarHBondContact CE2-O 3.25Å; F104-A146 HydrophobicContact CG-CB 4.14Å; F104-A146 HydrophobicContact CZ-CB 3.89Å; F104-A146 WeakPolarHBondContact CZ-O 3.49Å; V141-A146 HydrophobicContact CG1-CB 3.92Å; S142-A146 VanDerWaalsContact O-CB 3.31Å; S142-A146 WeakPolarHBondContact O-CB 3.35Å; S142-A146 PolarHBondContact O-N 2.89Å; A146-W150 WeakPolarHBondContact O-CB 3.18Å; A146-W150 PolarHBondContact O-N 3.35Å
147	K	93.6	Very high	92.1	Very high	23 Å²	23	38.8 Å²	38.8	10%	0.1	21%	0.211	C	C	.	.	H	α-helix	trans	-66.3	-42.8	175.6	-78.3	177.6	169	-139.8	0	112.3	V26 F92 P95 L143 G144 E145 W150 A151	V26-K147 WeakPolarHBondContact O-CD 3.39Å; F92-K147 WeakPolarHBondContact O-CD 3.46Å; F92-K147 VanDerWaalsContact O-CE 3.28Å; F92-K147 WeakPolarHBondContact O-CE 3.27Å; F92-K147 PolarHBondContact O-NZ 3.09Å; P95-K147 HydrophobicContact CG-CG 4.5Å; P95-K147 WeakPolarHBondContact O-CE 3.49Å; L143-K147 HydrophobicContact CD1-CG 4.47Å; L143-K147 HydrophobicContact CG-CD 4.25Å; L143-K147 WeakPolarHBondContact O-CB 3.44Å; L143-K147 VanDerWaalsContact O-CG 3.26Å; L143-K147 WeakPolarHBondContact O-CG 3.44Å; L143-K147 PolarHBondContact O-N 3.27Å; G144-K147 PolarHBondContact O-N 2.73Å; E145-K147 VanDerWaalsContact C-N 3.29Å; E145-K147 PolarHBondContact O-N 3.2Å; K147-W150 PolarHBondContact O-N 3.44Å; K147-A151 WeakPolarHBondContact O-CB 3.21Å; K147-A151 PolarHBondContact O-N 2.96Å
148	S	93.7	Very high	92.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.8	-47.2	-179.5	-53.3	0	0	0	0	110.8	I27 D28 G144 E145 W150 A151 L152	I27-S148 WeakPolarHBondContact CA-OG 3.48Å; I27-S148 WeakPolarHBondContact CB-OG 3.43Å; D28-S148 PolarHBondContact N-OG 2.83Å; D28-S148 WeakPolarHBondContact O-CB 3.38Å; D28-S148 PolarHBondContact O-OG 3.3Å; G144-S148 WeakPolarHBondContact O-CB 3.38Å; G144-S148 PolarHBondContact O-N 2.77Å; G144-S148 PolarHBondContact O-OG 3.2Å; E145-S148 PolarHBondContact O-N 3.4Å; E145-S148 VanDerWaalsContact O-N 3.15Å; S148-W150 PolarHBondContact O-N 3.03Å; S148-A151 PolarHBondContact O-N 2.86Å; S148-L152 WeakPolarHBondContact O-CG 3.36Å; S148-L152 PolarHBondContact O-N 2.91Å
149	A	94.4	Very high	92.1	Very high	4 Å²	4	26.2 Å²	26.2	3%	0.033	15%	0.152	C	C	.	.	H	α-helix	trans	-57.9	-47.1	172.4	0	0	0	0	0	111.4	F104 A133 E145 A151 L152 L153	F104-A149 HydrophobicContact CZ-CB 4.29Å; A133-A149 HydrophobicContact CB-CB 3.63Å; E145-A149 WeakPolarHBondContact O-CB 3.24Å; E145-A149 PolarHBondContact O-N 2.85Å; A149-A151 VanDerWaalsContact C-N 3.31Å; A149-A151 PolarHBondContact O-N 3.36Å; A149-L152 PolarHBondContact O-N 2.94Å; A149-L153 WeakPolarHBondContact O-CG 3.4Å; A149-L153 PolarHBondContact O-N 3.08Å
150	W	93.2	Very high	92.2	Very high	35 Å²	35	23.2 Å²	23.2	13%	0.133	12%	0.12	C	C	.	.	H	α-helix	trans	-58.9	-40.9	178.9	-174.8	-94.6	0	0	0	113.2	K94 F104 M107 V108 L111 A146 K147 S148 Q154	K94-W150 HydrophobicContact CB-CG 4.31Å; F104-W150 HydrophobicContact CE2-CB 4.32Å; F104-W150 HydrophobicContact CE2-CE3 4.13Å; M107-W150 HydrophobicContact CB-CH2 4.15Å; M107-W150 HydrophobicContact CB-CZ3 3.77Å; M107-W150 HydrophobicContact CE-CE3 4.45Å; M107-W150 HydrophobicContact CE-CH2 4.23Å; M107-W150 HydrophobicContact CE-CZ2 4.39Å; M107-W150 HydrophobicContact CE-CZ3 4.28Å; V108-W150 HydrophobicContact CG2-CE3 4.38Å; V108-W150 HydrophobicContact CG2-CZ3 4.39Å; L111-W150 HydrophobicContact CB-CH2 3.9Å; L111-W150 HydrophobicContact CB-CZ3 4.09Å; L111-W150 HydrophobicContact CD2-CE3 4.4Å; L111-W150 HydrophobicContact CD2-CH2 4.11Å; L111-W150 HydrophobicContact CD2-CZ3 4.02Å; L111-W150 HydrophobicContact CG-CH2 4.42Å; A146-W150 WeakPolarHBondContact O-CB 3.18Å; A146-W150 PolarHBondContact O-N 3.35Å; K147-W150 PolarHBondContact O-N 3.44Å; S148-W150 PolarHBondContact O-N 3.03Å; W150-Q154 PolarHBondContact O-NE2 3.23Å
151	A	90.5	Very high	92.4	Very high	3 Å²	3	17.1 Å²	17.1	3%	0.025	9%	0.092	C	C	.	.	H	α-helix	trans	-63.9	-47.5	176.2	0	0	0	0	0	111.2	L91 F92 K147 S148 A149 L153 Q154 D179	L91-A151 WeakPolarHBondContact O-CB 3.4Å; F92-A151 HydrophobicContact CD1-CB 4Å; F92-A151 HydrophobicContact CE1-CB 3.63Å; F92-A151 HydrophobicContact CZ-CB 4.47Å; K147-A151 WeakPolarHBondContact O-CB 3.21Å; K147-A151 PolarHBondContact O-N 2.96Å; S148-A151 PolarHBondContact O-N 2.86Å; A149-A151 VanDerWaalsContact C-N 3.31Å; A149-A151 PolarHBondContact O-N 3.36Å; A151-L153 PolarHBondContact O-N 3.39Å; A151-Q154 WeakPolarHBondContact O-CB 3.4Å; A151-Q154 PolarHBondContact O-N 3.42Å; A151-D179 HydrophobicContact CB-CB 4.21Å
152	L	91.5	Very high	92.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-64.1	-37.3	179.6	-70.5	166.1	0	0	0	112.7	S148 A149 Q154 L155 F158 F176 G178 Y181	S148-L152 WeakPolarHBondContact O-CG 3.36Å; S148-L152 PolarHBondContact O-N 2.91Å; A149-L152 PolarHBondContact O-N 2.94Å; L152-Q154 PolarHBondContact O-N 3.34Å; L152-Q154 VanDerWaalsContact O-N 3.13Å; L152-L155 HydrophobicContact CD2-CD1 4.43Å; L152-L155 WeakPolarHBondContact O-CA 3.34Å; L152-L155 VanDerWaalsContact O-CB 3.25Å; L152-L155 WeakPolarHBondContact O-CB 3.41Å; L152-L155 PolarHBondContact O-N 3.19Å; L152-F158 HydrophobicContact CB-CB 4.48Å; L152-F158 HydrophobicContact CB-CD1 3.65Å; L152-F158 HydrophobicContact CB-CD2 3.99Å; L152-F158 HydrophobicContact CB-CE1 3.75Å; L152-F158 HydrophobicContact CB-CE2 4.09Å; L152-F158 HydrophobicContact CB-CG 3.77Å; L152-F158 HydrophobicContact CB-CZ 3.97Å; L152-F158 HydrophobicContact CD1-CD2 4.27Å; L152-F158 HydrophobicContact CD1-CE1 4.4Å; L152-F158 HydrophobicContact CD1-CE2 3.72Å; L152-F158 HydrophobicContact CD1-CZ 3.79Å; L152-F158 HydrophobicContact CD2-CD2 3.94Å; L152-F158 HydrophobicContact CD2-CE2 4.2Å; L152-F158 HydrophobicContact CD2-CG 4.37Å; L152-F158 HydrophobicContact CG-CD2 4.29Å; L152-F158 HydrophobicContact CG-CE2 4.23Å; L152-F158 HydrophobicContact CG-CZ 4.41Å; L152-F158 WeakPolarHBondContact O-CB 3.49Å; L152-F176 HydrophobicContact CD1-CB 3.65Å; L152-F176 HydrophobicContact CD1-CD1 4.03Å; L152-F176 HydrophobicContact CD1-CD2 3.46Å; L152-F176 VanDerWaalsContact CD1-CD2 3.46Å; L152-F176 HydrophobicContact CD1-CE2 4.12Å; L152-F176 HydrophobicContact CD1-CG 3.42Å; L152-F176 VanDerWaalsContact CD1-CG 3.42Å; L152-G178 WeakPolarHBondContact CD1-O 3.49Å; L152-G178 WeakPolarHBondContact CG-O 3.49Å; L152-Y181 HydrophobicContact CD2-CD1 3.8Å; L152-Y181 HydrophobicContact CD2-CG 4.4Å
153	L	91.6	Very high	92.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.1	177.6	-68.4	170.1	0	0	0	113.9	V108 L111 F112 K115 I129 A149 A151 L155	V108-L153 HydrophobicContact CG1-CD1 4.09Å; V108-L153 HydrophobicContact CG2-CD1 4.18Å; L111-L153 HydrophobicContact CD2-CB 3.79Å; L111-L153 HydrophobicContact CD2-CD1 4.37Å; F112-L153 HydrophobicContact CE1-CD2 3.99Å; F112-L153 HydrophobicContact CZ-CD2 3.85Å; K115-L153 PolarHBondContact NZ-O 3.15Å; I129-L153 HydrophobicContact CD1-CD2 3.6Å; I129-L153 HydrophobicContact CG1-CD2 3.8Å; I129-L153 HydrophobicContact CG2-CD1 3.81Å; I129-L153 HydrophobicContact CG2-CD2 4.15Å; I129-L153 HydrophobicContact CG2-CG 4.43Å; A149-L153 WeakPolarHBondContact O-CG 3.4Å; A149-L153 PolarHBondContact O-N 3.08Å; A151-L153 PolarHBondContact O-N 3.39Å; L153-L155 PolarHBondContact O-N 3.32Å
154	Q	87.7	Confident	92.2	Very high	81 Å²	81	12.9 Å²	12.9	38%	0.379	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-26.8	171	-56.1	-50.5	-43	0	0	111.4	K115 W150 A151 L152	K115-Q154 PolarHBondContact NZ-O 3.47Å; W150-Q154 PolarHBondContact O-NE2 3.23Å; A151-Q154 WeakPolarHBondContact O-CB 3.4Å; A151-Q154 PolarHBondContact O-N 3.42Å; L152-Q154 PolarHBondContact O-N 3.34Å; L152-Q154 VanDerWaalsContact O-N 3.13Å
155	L	88.6	Confident	92	Very high	29 Å²	29	16.4 Å²	16.4	15%	0.152	8%	0.08	C	C	.	.			trans	-82.6	117.6	177.7	-58.2	175.5	0	0	0	111	L152 L153 E157 F158 L159 Y181	L152-L155 HydrophobicContact CD2-CD1 4.43Å; L152-L155 WeakPolarHBondContact O-CA 3.34Å; L152-L155 VanDerWaalsContact O-CB 3.25Å; L152-L155 WeakPolarHBondContact O-CB 3.41Å; L152-L155 PolarHBondContact O-N 3.19Å; L153-L155 PolarHBondContact O-N 3.32Å; L155-E157 PolarHBondContact O-N 3.46Å; L155-F158 HydrophobicContact CB-CB 4.02Å; L155-F158 PolarHBondContact O-N 2.85Å; L155-L159 PolarHBondContact O-N 3.5Å; L155-L159 VanDerWaalsContact O-N 3.15Å; L155-Y181 HydrophobicContact CD1-CD1 4.5Å; L155-Y181 HydrophobicContact CD1-CE1 3.96Å
156	N	89.4	Confident	91.7	Very high	31 Å²	31	23.1 Å²	23.1	17%	0.166	12%	0.116	C	C	.	.	H	α-helix	trans	-61.4	-35.4	176.9	-66.2	-10.9	0	0	0	112.2	K115 F158 L159 L160 I271	K115-N156 PolarHBondContact NZ-OD1 2.89Å; N156-F158 VanDerWaalsContact C-N 3.35Å; N156-F158 PolarHBondContact O-N 3.13Å; N156-L159 PolarHBondContact O-N 3.05Å; N156-L160 WeakPolarHBondContact O-CB 3Å; N156-L160 WeakPolarHBondContact O-CG 3.23Å; N156-L160 PolarHBondContact O-N 2.7Å; N156-I271 WeakPolarHBondContact CB-O 3.22Å; N156-I271 PolarHBondContact ND2-O 3.38Å
157	E	90.9	Very high	91.7	Very high	5 Å²	5	26.6 Å²	26.6	2%	0.023	13%	0.13	C	C	.	.	H	α-helix	trans	-60.9	-42.3	176.1	174.1	168.3	-133.8	0	0	112.2	K68 L155 L160 M161 Y181 M268 R269	K68-E157 IonicContact NZ-OE1 3.05Å; K68-E157 PolarHBondContact NZ-OE1 2.91Å; K68-E157 IonicContact NZ-OE2 3.5Å; L155-E157 PolarHBondContact O-N 3.46Å; E157-L160 PolarHBondContact O-N 3.33Å; E157-M161 HydrophobicContact CG-CE 4.46Å; E157-M161 WeakPolarHBondContact O-CG 3.38Å; E157-M161 PolarHBondContact O-N 3.16Å; E157-Y181 PolarHBondContact OE2-OH 3.14Å; E157-M268 HydrophobicContact CB-CB 4.32Å; E157-M268 HydrophobicContact CG-CB 4.17Å; E157-M268 PolarHBondContact OE1-N 3.46Å; E157-R269 HydrophobicContact CB-CG 3.85Å; E157-R269 HydrophobicContact CG-CG 4.39Å; E157-R269 WeakPolarHBondContact OE2-CD 3.48Å; E157-R269 WeakPolarHBondContact OE2-CG 3.32Å
158	F	91.9	Very high	91.6	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.018	16%	0.157	C	C	.	.	H	α-helix	trans	-65.8	-45.2	176.8	-177.1	-91.6	0	0	0	111.4	V132 L152 L155 N156 L160 M161 V162 L173 Y181	V132-F158 HydrophobicContact CG1-CZ 4.1Å; L152-F158 HydrophobicContact CB-CB 4.48Å; L152-F158 HydrophobicContact CB-CD1 3.65Å; L152-F158 HydrophobicContact CB-CD2 3.99Å; L152-F158 HydrophobicContact CB-CE1 3.75Å; L152-F158 HydrophobicContact CB-CE2 4.09Å; L152-F158 HydrophobicContact CB-CG 3.77Å; L152-F158 HydrophobicContact CB-CZ 3.97Å; L152-F158 HydrophobicContact CD1-CD2 4.27Å; L152-F158 HydrophobicContact CD1-CE1 4.4Å; L152-F158 HydrophobicContact CD1-CE2 3.72Å; L152-F158 HydrophobicContact CD1-CZ 3.79Å; L152-F158 HydrophobicContact CD2-CD2 3.94Å; L152-F158 HydrophobicContact CD2-CE2 4.2Å; L152-F158 HydrophobicContact CD2-CG 4.37Å; L152-F158 HydrophobicContact CG-CD2 4.29Å; L152-F158 HydrophobicContact CG-CE2 4.23Å; L152-F158 HydrophobicContact CG-CZ 4.41Å; L152-F158 WeakPolarHBondContact O-CB 3.49Å; L155-F158 HydrophobicContact CB-CB 4.02Å; L155-F158 PolarHBondContact O-N 2.85Å; N156-F158 VanDerWaalsContact C-N 3.35Å; N156-F158 PolarHBondContact O-N 3.13Å; F158-L160 VanDerWaalsContact C-N 3.31Å; F158-L160 PolarHBondContact O-N 3.04Å; F158-M161 HydrophobicContact CB-CE 4.31Å; F158-M161 HydrophobicContact CD2-CE 4Å; F158-M161 PolarHBondContact O-N 3.4Å; F158-V162 HydrophobicContact CD1-CG2 4.29Å; F158-V162 HydrophobicContact CE1-CG2 3.87Å; F158-V162 HydrophobicContact CZ-CG2 4.13Å; F158-V162 WeakPolarHBondContact O-CG2 3.11Å; F158-V162 PolarHBondContact O-N 2.86Å; F158-V162 VanDerWaalsContact O-N 3.11Å; F158-L173 HydrophobicContact CD2-CD1 4.45Å; F158-L173 HydrophobicContact CD2-CD2 4.42Å; F158-L173 HydrophobicContact CE2-CD1 4.07Å; F158-L173 HydrophobicContact CE2-CD2 3.58Å; F158-L173 HydrophobicContact CZ-CD2 3.97Å; F158-Y181 HydrophobicContact CD2-CG 4.45Å
159	L	92	Very high	91.6	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-56.7	-45.6	175.6	179.1	59.4	0	0	0	111.7	F112 L116 L125 L155 N156 V162 I163	F112-L159 HydrophobicContact CE1-CD1 3.62Å; F112-L159 HydrophobicContact CE1-CD2 4.34Å; F112-L159 HydrophobicContact CZ-CD1 3.83Å; L116-L159 HydrophobicContact CD2-CD2 4.33Å; L125-L159 HydrophobicContact CD2-CD1 4.33Å; L155-L159 PolarHBondContact O-N 3.5Å; L155-L159 VanDerWaalsContact O-N 3.15Å; N156-L159 PolarHBondContact O-N 3.05Å; L159-V162 PolarHBondContact O-N 3.38Å; L159-I163 HydrophobicContact CD1-CD1 3.87Å; L159-I163 HydrophobicContact CD1-CG1 4.24Å; L159-I163 HydrophobicContact CD2-CD1 4.44Å; L159-I163 HydrophobicContact CG-CD1 3.75Å; L159-I163 HydrophobicContact CG-CG1 4.49Å; L159-I163 WeakPolarHBondContact O-CG1 3.24Å; L159-I163 PolarHBondContact O-N 2.83Å
160	L	93	Very high	91.5	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-65.9	-38.7	178.3	-74.5	164.8	0	0	0	112.8	N156 E157 F158 V162 I163 L164 F245 M268 I271	N156-L160 WeakPolarHBondContact O-CB 3Å; N156-L160 WeakPolarHBondContact O-CG 3.23Å; N156-L160 PolarHBondContact O-N 2.7Å; E157-L160 PolarHBondContact O-N 3.33Å; F158-L160 VanDerWaalsContact C-N 3.31Å; F158-L160 PolarHBondContact O-N 3.04Å; L160-V162 VanDerWaalsContact C-N 3.25Å; L160-V162 PolarHBondContact O-N 2.97Å; L160-I163 PolarHBondContact O-N 3.4Å; L160-L164 HydrophobicContact CD2-CD1 4.35Å; L160-L164 VanDerWaalsContact O-CB 3.29Å; L160-L164 WeakPolarHBondContact O-CB 3.38Å; L160-L164 WeakPolarHBondContact O-CG 3.43Å; L160-L164 PolarHBondContact O-N 2.75Å; L160-F245 HydrophobicContact CD2-CD1 3.77Å; L160-F245 HydrophobicContact CD2-CD2 4.27Å; L160-F245 HydrophobicContact CD2-CE1 3.83Å; L160-F245 HydrophobicContact CD2-CE2 4.35Å; L160-F245 HydrophobicContact CD2-CG 4Å; L160-F245 HydrophobicContact CD2-CZ 4.14Å; L160-F245 HydrophobicContact CG-CD1 4.41Å; L160-F245 HydrophobicContact CG-CE1 4.37Å; L160-M268 HydrophobicContact CB-CE 4.12Å; L160-M268 HydrophobicContact CB-SD 4.05Å; L160-M268 HydrophobicContact CD1-CB 4.06Å; L160-I271 HydrophobicContact CD1-CB 3.53Å; L160-I271 HydrophobicContact CD1-CD1 4.47Å; L160-I271 HydrophobicContact CD1-CG2 3.54Å; L160-I271 HydrophobicContact CD2-CG2 4.49Å
161	M	93.4	Very high	91.5	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.02	15%	0.152	C	C	.	.	H	α-helix	trans	-60.8	-36.1	174.1	-75	-172.9	-58.9	0	0	112.2	E157 F158 Q165 T170 L173 Y181 M183 M268	E157-M161 HydrophobicContact CG-CE 4.46Å; E157-M161 WeakPolarHBondContact O-CG 3.38Å; E157-M161 PolarHBondContact O-N 3.16Å; F158-M161 HydrophobicContact CB-CE 4.31Å; F158-M161 HydrophobicContact CD2-CE 4Å; F158-M161 PolarHBondContact O-N 3.4Å; M161-Q165 VanDerWaalsContact O-CA 3.25Å; M161-Q165 WeakPolarHBondContact O-CA 3.36Å; M161-Q165 WeakPolarHBondContact O-CB 3.47Å; M161-Q165 PolarHBondContact O-N 3.15Å; M161-Q165 VanDerWaalsContact O-N 3.1Å; M161-T170 HydrophobicContact CG-CG2 4.34Å; M161-L173 HydrophobicContact CE-CD1 4.11Å; M161-Y181 HydrophobicContact CE-CD2 3.59Å; M161-Y181 HydrophobicContact CE-CE2 3.32Å; M161-Y181 HydrophobicContact CE-CG 4.44Å; M161-Y181 HydrophobicContact SD-CE2 4.16Å; M161-M183 HydrophobicContact SD-CB 4.44Å; M161-M268 HydrophobicContact CB-CE 4.43Å; M161-M268 HydrophobicContact CG-CE 3.47Å; M161-M268 VanDerWaalsContact CG-CE 3.47Å
162	V	92.6	Very high	91.6	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.006	18%	0.178	C	C	.	.	H	α-helix	trans	-74.6	-44.1	176.9	178.8	0	0	0	0	111.3	L128 I129 V132 F158 L159 L160 L164 Q165 L173	L128-V162 HydrophobicContact CD1-CG1 4.47Å; L128-V162 HydrophobicContact CD2-CG1 3.61Å; L128-V162 HydrophobicContact CG-CG1 3.68Å; I129-V162 HydrophobicContact CD1-CB 4.24Å; I129-V162 HydrophobicContact CD1-CG1 3.77Å; I129-V162 HydrophobicContact CD1-CG2 4.33Å; V132-V162 HydrophobicContact CG1-CG2 4.43Å; V132-V162 HydrophobicContact CG2-CG1 4.08Å; V132-V162 HydrophobicContact CG2-CG2 4.45Å; F158-V162 HydrophobicContact CD1-CG2 4.29Å; F158-V162 HydrophobicContact CE1-CG2 3.87Å; F158-V162 HydrophobicContact CZ-CG2 4.13Å; F158-V162 WeakPolarHBondContact O-CG2 3.11Å; F158-V162 PolarHBondContact O-N 2.86Å; F158-V162 VanDerWaalsContact O-N 3.11Å; L159-V162 PolarHBondContact O-N 3.38Å; L160-V162 VanDerWaalsContact C-N 3.25Å; L160-V162 PolarHBondContact O-N 2.97Å; V162-L164 VanDerWaalsContact C-N 3.31Å; V162-L164 PolarHBondContact O-N 3.03Å; V162-Q165 WeakPolarHBondContact O-CG 3.25Å; V162-L173 HydrophobicContact CG2-CD2 4.46Å
163	I	92.1	Very high	91.7	Very high	27 Å²	27	39.6 Å²	39.6	14%	0.138	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-39.6	178	-70.5	170.6	0	0	0	111.6	L125 L159 L160 Y242 F245	L125-I163 HydrophobicContact CD1-CD1 4.39Å; L125-I163 HydrophobicContact CD1-CG1 3.72Å; L125-I163 HydrophobicContact CD2-CD1 4.35Å; L159-I163 HydrophobicContact CD1-CD1 3.87Å; L159-I163 HydrophobicContact CD1-CG1 4.24Å; L159-I163 HydrophobicContact CD2-CD1 4.44Å; L159-I163 HydrophobicContact CG-CD1 3.75Å; L159-I163 HydrophobicContact CG-CG1 4.49Å; L159-I163 WeakPolarHBondContact O-CG1 3.24Å; L159-I163 PolarHBondContact O-N 2.83Å; L160-I163 PolarHBondContact O-N 3.4Å; I163-Y242 HydrophobicContact CB-CD2 4.25Å; I163-Y242 HydrophobicContact CB-CE2 4.41Å; I163-Y242 HydrophobicContact CD1-CD2 3.86Å; I163-Y242 HydrophobicContact CG1-CD2 3.69Å; I163-Y242 HydrophobicContact CG1-CE2 3.99Å; I163-Y242 HydrophobicContact CG2-CD2 3.64Å; I163-Y242 HydrophobicContact CG2-CE2 3.95Å; I163-F245 HydrophobicContact CD1-CE2 4.38Å; I163-F245 HydrophobicContact CD1-CZ 3.82Å
164	L	92.8	Very high	91.8	Very high	7 Å²	7	42.2 Å²	42.2	4%	0.037	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	20.9	-173.7	-55.5	174.1	0	0	0	112.5	L160 V162 D166 K167 T170 F233 D236 V237	L160-L164 HydrophobicContact CD2-CD1 4.35Å; L160-L164 VanDerWaalsContact O-CB 3.29Å; L160-L164 WeakPolarHBondContact O-CB 3.38Å; L160-L164 WeakPolarHBondContact O-CG 3.43Å; L160-L164 PolarHBondContact O-N 2.75Å; V162-L164 VanDerWaalsContact C-N 3.31Å; V162-L164 PolarHBondContact O-N 3.03Å; L164-D166 PolarHBondContact O-N 2.82Å; L164-D166 VanDerWaalsContact O-N 3.15Å; L164-K167 HydrophobicContact CB-CB 4.34Å; L164-K167 HydrophobicContact CB-CG 4.12Å; L164-K167 HydrophobicContact CD2-CG 4.1Å; L164-K167 WeakPolarHBondContact O-CB 3.16Å; L164-K167 PolarHBondContact O-N 3.12Å; L164-T170 HydrophobicContact CB-CG2 4.19Å; L164-T170 WeakPolarHBondContact CB-OG1 3.19Å; L164-T170 VanDerWaalsContact O-CB 3.24Å; L164-T170 WeakPolarHBondContact O-CB 3.19Å; L164-T170 PolarHBondContact O-OG1 3.47Å; L164-F233 HydrophobicContact CD1-CD2 4.38Å; L164-F233 HydrophobicContact CD1-CE2 3.71Å; L164-D236 HydrophobicContact CD2-CB 4.11Å; L164-V237 HydrophobicContact CD1-CG1 4.05Å
165	Q	89.4	Confident	92.1	Very high	80 Å²	80	38.5 Å²	38.5	37%	0.374	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-30.9	-174.1	66.3	-179.2	-1.2	0	0	113.5	M161 V162 K167	M161-Q165 VanDerWaalsContact O-CA 3.25Å; M161-Q165 WeakPolarHBondContact O-CA 3.36Å; M161-Q165 WeakPolarHBondContact O-CB 3.47Å; M161-Q165 PolarHBondContact O-N 3.15Å; M161-Q165 VanDerWaalsContact O-N 3.1Å; V162-Q165 WeakPolarHBondContact O-CG 3.25Å; Q165-K167 VanDerWaalsContact C-N 3.35Å
166	D	89.6	Confident	92.4	Very high	143 Å²	143	37.3 Å²	37.3	77%	0.765	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-0	-177.9	-62	-50.3	0	0	0	112.8	L164	L164-D166 PolarHBondContact O-N 2.82Å; L164-D166 VanDerWaalsContact O-N 3.15Å
167	K	93.1	Very high	92.5	Very high	80 Å²	80	35.9 Å²	35.9	35%	0.348	17%	0.173	S	C	.	.	S	Bend	trans	-93.9	134.6	-177.7	-56	-58.7	-169.2	138.5	0	111.2	L164 Q165 H169 T170 D236	L164-K167 HydrophobicContact CB-CB 4.34Å; L164-K167 HydrophobicContact CB-CG 4.12Å; L164-K167 HydrophobicContact CD2-CG 4.1Å; L164-K167 WeakPolarHBondContact O-CB 3.16Å; L164-K167 PolarHBondContact O-N 3.12Å; Q165-K167 VanDerWaalsContact C-N 3.35Å; K167-H169 VanDerWaalsContact CB-NE2 3.3Å; K167-H169 WeakPolarHBondContact CB-NE2 3.36Å; K167-H169 PolarHBondContact O-N 3.47Å; K167-T170 PolarHBondContact O-N 3.22Å; K167-T170 VanDerWaalsContact O-N 3.08Å; K167-D236 WeakPolarHBondContact CD-OD2 2.94Å; K167-D236 WeakPolarHBondContact CE-OD2 3.4Å; K167-D236 IonicContact NZ-OD1 2.82Å; K167-D236 PolarHBondContact NZ-OD1 3.27Å; K167-D236 IonicContact NZ-OD2 2.68Å; K167-D236 PolarHBondContact NZ-OD2 2.67Å
168	E	91.6	Very high	92.5	Very high	143 Å²	143	35.6 Å²	35.6	67%	0.668	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-32.9	-175.3	-65.2	-170.2	166.6	0	0	113	T170 K264	E168-T170 PolarHBondContact O-N 2.89Å; E168-K264 WeakPolarHBondContact O-CD 3.38Å; E168-K264 WeakPolarHBondContact O-CE 3.38Å; E168-K264 PolarHBondContact O-NZ 3.41Å
169	H	93.4	Very high	92.4	Very high	9 Å²	9	36 Å²	36	4%	0.042	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-3.3	179.9	51	-119.2	0	0	0	115	K167 F233 D236 L263 K264 M265	K167-H169 VanDerWaalsContact CB-NE2 3.3Å; K167-H169 WeakPolarHBondContact CB-NE2 3.36Å; K167-H169 PolarHBondContact O-N 3.47Å; H169-F233 HydrophobicContact CB-CB 4.44Å; H169-F233 AromaticContact CD2-CD2 3.39Å; H169-F233 WeakPolarHBondContact CD2-CD2 3.17Å; H169-F233 AromaticContact CG-CD2 3.96Å; H169-F233 AromaticContact NE2-CD2 3.55Å; H169-D236 IonicContact CE1-OD2 3.74Å; H169-D236 PolarHBondContact CE1-OD2 3.17Å; H169-D236 IonicContact NE2-OD2 3.65Å; H169-D236 PolarHBondContact NE2-OD2 3.22Å; H169-L263 VanDerWaalsContact CA-O 3.26Å; H169-L263 WeakPolarHBondContact CA-O 3.39Å; H169-L263 HydrophobicContact CB-CD2 4.35Å; H169-K264 CarbonylContact O-C 3.53Å; H169-K264 WeakPolarHBondContact O-CA 3.44Å; H169-M265 WeakPolarHBondContact O-CG 3.4Å; H169-M265 PolarHBondContact O-N 2.94Å
170	T	93.5	Very high	92.3	Very high	2 Å²	2	36 Å²	36	1%	0.012	17%	0.174	C	C	.	.	S	Bend	trans	-102.9	130	179.4	-55.6	0	0	0	0	110.2	M161 L164 K167 E168 K172 K264 M268	M161-T170 HydrophobicContact CG-CG2 4.34Å; L164-T170 HydrophobicContact CB-CG2 4.19Å; L164-T170 WeakPolarHBondContact CB-OG1 3.19Å; L164-T170 VanDerWaalsContact O-CB 3.24Å; L164-T170 WeakPolarHBondContact O-CB 3.19Å; L164-T170 PolarHBondContact O-OG1 3.47Å; K167-T170 PolarHBondContact O-N 3.22Å; K167-T170 VanDerWaalsContact O-N 3.08Å; E168-T170 PolarHBondContact O-N 2.89Å; T170-K172 PolarHBondContact O-N 2.78Å; T170-K264 PolarHBondContact O-NZ 2.88Å; T170-M268 HydrophobicContact CG2-CE 4.05Å
171	P	93.1	Very high	92.3	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.013	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-61.8	129.8	169.2	-24.6	35.5	0	0	0	111.7	L173 M183 E184 V186 K264 M265	P171-L173 PolarHBondContact O-N 2.02Å; P171-M183 HydrophobicContact CB-CB 4.43Å; P171-M183 HydrophobicContact CB-SD 4.3Å; P171-E184 VanDerWaalsContact CA-OE1 3.25Å; P171-E184 WeakPolarHBondContact CA-OE1 3.42Å; P171-E184 HydrophobicContact CB-CG 3.86Å; P171-V186 HydrophobicContact CG-CG2 4.14Å; P171-K264 HydrophobicContact CG-CB 4.49Å; P171-M265 WeakPolarHBondContact CD-O 3.47Å; P171-M265 WeakPolarHBondContact CG-O 3.39Å
172	K	92.6	Very high	92.4	Very high	133 Å²	133	36.2 Å²	36.2	58%	0.578	18%	0.175	S	C	*	.	P	Polyproline II helix	trans	-61.1	129.1	177	-65.3	-176.9	-179.4	-176.9	0	111.9	T170 M174 M183 E184	T170-K172 PolarHBondContact O-N 2.78Å; K172-M174 PolarHBondContact O-N 3.47Å; K172-M183 CarbonylContact O-C 3.57Å; K172-M183 VanDerWaalsContact O-CA 3.26Å; K172-M183 WeakPolarHBondContact O-CA 3.22Å; K172-E184 HydrophobicContact CB-CB 4.38Å; K172-E184 HydrophobicContact CB-CG 4.26Å; K172-E184 VanDerWaalsContact N-CD 3.26Å; K172-E184 PolarHBondContact N-OE1 3.17Å; K172-E184 VanDerWaalsContact N-OE1 3.1Å; K172-E184 PolarHBondContact O-N 2.91Å
173	L	93.7	Very high	92.4	Very high	49 Å²	49	36.3 Å²	36.3	26%	0.257	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	117	168.4	179.4	69	0	0	0	108.9	V132 F158 M161 V162 P171 Y181	V132-L173 HydrophobicContact CG1-CD2 4.4Å; F158-L173 HydrophobicContact CD2-CD1 4.45Å; F158-L173 HydrophobicContact CD2-CD2 4.42Å; F158-L173 HydrophobicContact CE2-CD1 4.07Å; F158-L173 HydrophobicContact CE2-CD2 3.58Å; F158-L173 HydrophobicContact CZ-CD2 3.97Å; M161-L173 HydrophobicContact CE-CD1 4.11Å; V162-L173 HydrophobicContact CG2-CD2 4.46Å; P171-L173 PolarHBondContact O-N 2.02Å; L173-Y181 HydrophobicContact CD1-CD2 4.18Å
174	M	93.6	Very high	92.4	Very high	54 Å²	54	37.1 Å²	37.1	27%	0.266	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-34.3	177.3	-62.7	175.3	68.9	0	0	111.2	W60 L63 K172 V182	W60-M174 HydrophobicContact CB-CE 4.15Å; W60-M174 HydrophobicContact CE3-CB 3.8Å; W60-M174 HydrophobicContact CE3-CE 4.15Å; W60-M174 VanDerWaalsContact CZ3-C 3.44Å; W60-M174 HydrophobicContact CZ3-CB 3.65Å; W60-M174 WeakPolarHBondContact CZ3-O 3.3Å; L63-M174 HydrophobicContact CB-CE 3.78Å; L63-M174 HydrophobicContact CD1-CE 4.16Å; K172-M174 PolarHBondContact O-N 3.47Å; M174-V182 HydrophobicContact CB-CB 4.37Å; M174-V182 HydrophobicContact CB-CG1 4.37Å; M174-V182 PolarHBondContact N-O 3.29Å; M174-V182 HydrophobicContact SD-CG1 4.03Å
175	G	93.6	Very high	92.4	Very high	4 Å²	4	38.2 Å²	38.2	4%	0.041	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	159.9	-178.3	-177.8	0	0	0	0	0	113.2	Y181 V182	G175-Y181 WeakPolarHBondContact O-CA 3.49Å; G175-V182 PolarHBondContact N-O 2.64Å; G175-V182 PolarHBondContact O-N 2.94Å
176	F	94.3	Very high	92.4	Very high	4 Å²	4	35 Å²	35	2%	0.018	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	165.4	-174.3	62.2	-91.3	0	0	0	112.5	G29 P30 A31 V132 L152 L180	G29-F176 CarbonylContact C-O 3.44Å; G29-F176 VanDerWaalsContact C-O 3.24Å; G29-F176 WeakPolarHBondContact CA-O 3.29Å; P30-F176 WeakPolarHBondContact CD-O 3.45Å; P30-F176 HydrophobicContact CG-CD1 4.31Å; P30-F176 HydrophobicContact CG-CE1 4.28Å; A31-F176 WeakPolarHBondContact CB-O 3.27Å; A31-F176 PolarHBondContact N-O 3.16Å; V132-F176 HydrophobicContact CG1-CE1 4.14Å; V132-F176 WeakPolarHBondContact O-CE1 3.45Å; L152-F176 HydrophobicContact CD1-CB 3.65Å; L152-F176 HydrophobicContact CD1-CD1 4.03Å; L152-F176 HydrophobicContact CD1-CD2 3.46Å; L152-F176 VanDerWaalsContact CD1-CD2 3.46Å; L152-F176 HydrophobicContact CD1-CE2 4.12Å; L152-F176 HydrophobicContact CD1-CG 3.42Å; L152-F176 VanDerWaalsContact CD1-CG 3.42Å; F176-L180 CarbonylContact C-O 3.6Å; F176-L180 WeakPolarHBondContact CA-O 3.37Å; F176-L180 VanDerWaalsContact CB-O 3.27Å; F176-L180 WeakPolarHBondContact CB-O 3.37Å
177	C	93.1	Very high	92.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	105.9	170.1	-176.7	0	0	0	0	109.9	Q18 A31 C32 L35 D179 L180	Q18-C177 PolarHBondContact NE2-O 3.32Å; A31-C177 HydrophobicContact CB-CB 4.44Å; C32-C177 WeakPolarHBondContact CA-SG 3.32Å; C32-C177 HydrophobicContact CB-CB 3.93Å; C32-C177 WeakPolarHBondContact CB-SG 3.34Å; C32-C177 WeakPolarHBondContact SG-CA 3.46Å; C32-C177 WeakPolarHBondContact SG-CB 3.26Å; C32-C177 CovalentContact SG-SG 2.04Å; C32-C177 PolarHBondContact SG-SG 2.85Å; L35-C177 HydrophobicContact CD2-CB 4.11Å; C177-D179 PolarHBondContact O-N 3.49Å; C177-L180 PolarHBondContact N-O 2.81Å; C177-L180 WeakPolarHBondContact O-CB 3.17Å; C177-L180 PolarHBondContact O-N 2.92Å; C177-L180 VanDerWaalsContact O-N 3.15Å
178	G	91.1	Very high	92.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	-126.5	-169	0	0	0	0	0	111.3	D28 L152	D28-G178 PolarHBondContact O-N 3.09Å; L152-G178 WeakPolarHBondContact CD1-O 3.49Å; L152-G178 WeakPolarHBondContact CG-O 3.49Å
179	D	88.3	Confident	91.8	Very high	12 Å²	12	30.6 Å²	30.6	6%	0.064	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	5.1	174.9	67.1	-26.8	0	0	0	113.7	Q18 L91 F92 A151 C177	Q18-D179 PolarHBondContact NE2-OD1 2.92Å; L91-D179 HydrophobicContact CD2-CB 4.15Å; L91-D179 WeakPolarHBondContact CD2-OD2 3.16Å; F92-D179 HydrophobicContact CE1-CB 4.38Å; F92-D179 HydrophobicContact CZ-CB 3.96Å; A151-D179 HydrophobicContact CB-CB 4.21Å; C177-D179 PolarHBondContact O-N 3.49Å
180	L	91.1	Very high	91.4	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	133.8	171.3	178.3	157.2	0	0	0	109	L35 F43 V67 C69 F176 C177 V182	L35-L180 HydrophobicContact CD2-CD1 4.28Å; F43-L180 HydrophobicContact CE1-CD1 4.2Å; F43-L180 HydrophobicContact CZ-CD1 3.86Å; V67-L180 HydrophobicContact CG1-CD1 3.91Å; V67-L180 HydrophobicContact CG1-CD2 3.67Å; V67-L180 HydrophobicContact CG1-CG 3.79Å; C69-L180 WeakPolarHBondContact SG-CD1 3.32Å; F176-L180 CarbonylContact C-O 3.6Å; F176-L180 WeakPolarHBondContact CA-O 3.37Å; F176-L180 VanDerWaalsContact CB-O 3.27Å; F176-L180 WeakPolarHBondContact CB-O 3.37Å; C177-L180 PolarHBondContact N-O 2.81Å; C177-L180 WeakPolarHBondContact O-CB 3.17Å; C177-L180 PolarHBondContact O-N 2.92Å; C177-L180 VanDerWaalsContact O-N 3.15Å; L180-V182 HydrophobicContact CD2-CG2 4.25Å
181	Y	92.9	Very high	90.8	Very high	7 Å²	7	31.5 Å²	31.5	3%	0.027	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	156.3	176	65.4	-88	0	0	0	112.4	K68 L152 L155 E157 F158 M161 L173 G175	K68-Y181 HydrophobicContact CB-CD1 4.43Å; K68-Y181 HydrophobicContact CB-CD2 4.32Å; K68-Y181 HydrophobicContact CB-CE1 3.9Å; K68-Y181 HydrophobicContact CB-CE2 3.77Å; K68-Y181 HydrophobicContact CD-CE2 3.66Å; K68-Y181 WeakPolarHBondContact CD-OH 3.16Å; K68-Y181 HydrophobicContact CG-CE2 4.11Å; K68-Y181 PolarHBondContact N-O 3.1Å; K68-Y181 PolarHBondContact O-N 2.88Å; K68-Y181 VanDerWaalsContact O-N 3.16Å; L152-Y181 HydrophobicContact CD2-CD1 3.8Å; L152-Y181 HydrophobicContact CD2-CG 4.4Å; L155-Y181 HydrophobicContact CD1-CD1 4.5Å; L155-Y181 HydrophobicContact CD1-CE1 3.96Å; E157-Y181 PolarHBondContact OE2-OH 3.14Å; F158-Y181 HydrophobicContact CD2-CG 4.45Å; M161-Y181 HydrophobicContact CE-CD2 3.59Å; M161-Y181 HydrophobicContact CE-CE2 3.32Å; M161-Y181 HydrophobicContact CE-CG 4.44Å; M161-Y181 HydrophobicContact SD-CE2 4.16Å; L173-Y181 HydrophobicContact CD1-CD2 4.18Å; G175-Y181 WeakPolarHBondContact O-CA 3.49Å
182	V	94	Very high	89.9	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.006	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.5	-175.8	-169	0	0	0	0	108.6	L41 W60 V66 V67 M174 G175 L180	L41-V182 HydrophobicContact CD1-CG2 4.1Å; L41-V182 HydrophobicContact CD2-CG2 4.02Å; W60-V182 HydrophobicContact CE3-CB 3.93Å; W60-V182 HydrophobicContact CE3-CG1 3.98Å; W60-V182 HydrophobicContact CE3-CG2 4.12Å; W60-V182 HydrophobicContact CZ3-CB 4.18Å; W60-V182 HydrophobicContact CZ3-CG2 4.4Å; V66-V182 WeakPolarHBondContact O-CA 3.38Å; V67-V182 HydrophobicContact CG1-CG2 4.43Å; V67-V182 HydrophobicContact CG2-CG1 4.37Å; V67-V182 HydrophobicContact CG2-CG2 4.19Å; M174-V182 HydrophobicContact CB-CB 4.37Å; M174-V182 HydrophobicContact CB-CG1 4.37Å; M174-V182 PolarHBondContact N-O 3.29Å; M174-V182 HydrophobicContact SD-CG1 4.03Å; G175-V182 PolarHBondContact N-O 2.64Å; G175-V182 PolarHBondContact O-N 2.94Å; L180-V182 HydrophobicContact CD2-CG2 4.25Å
183	M	93.9	Very high	88.4	Confident	3 Å²	3	29.3 Å²	29.3	2%	0.015	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	162.7	176.2	66.7	-175.9	-155.9	0	0	110.6	G65 V66 K68 M161 P171 K172	G65-M183 CarbonylContact C-O 3.26Å; G65-M183 WeakPolarHBondContact CA-O 3.17Å; V66-M183 HydrophobicContact CB-CE 3.81Å; V66-M183 HydrophobicContact CB-CG 3.97Å; V66-M183 HydrophobicContact CG1-CE 3.9Å; V66-M183 HydrophobicContact CG2-CE 4.24Å; V66-M183 PolarHBondContact N-O 3.13Å; V66-M183 PolarHBondContact O-N 2.81Å; K68-M183 HydrophobicContact CD-CE 4.43Å; K68-M183 HydrophobicContact CD-SD 4.07Å; K68-M183 VanDerWaalsContact CE-CE 3.43Å; K68-M183 VanDerWaalsContact CE-SD 3.59Å; K68-M183 PolarHBondContact NZ-SD 2.63Å; M161-M183 HydrophobicContact SD-CB 4.44Å; P171-M183 HydrophobicContact CB-CB 4.43Å; P171-M183 HydrophobicContact CB-SD 4.3Å; K172-M183 CarbonylContact O-C 3.57Å; K172-M183 VanDerWaalsContact O-CA 3.26Å; K172-M183 WeakPolarHBondContact O-CA 3.22Å
184	E	92.7	Very high	86.7	Confident	45 Å²	45	29.1 Å²	29.1	21%	0.21	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	145.5	173	73.8	-176.4	170.8	0	0	111.4	P171 K172 K264	P171-E184 VanDerWaalsContact CA-OE1 3.25Å; P171-E184 WeakPolarHBondContact CA-OE1 3.42Å; P171-E184 HydrophobicContact CB-CG 3.86Å; K172-E184 HydrophobicContact CB-CB 4.38Å; K172-E184 HydrophobicContact CB-CG 4.26Å; K172-E184 VanDerWaalsContact N-CD 3.26Å; K172-E184 PolarHBondContact N-OE1 3.17Å; K172-E184 VanDerWaalsContact N-OE1 3.1Å; K172-E184 PolarHBondContact O-N 2.91Å; E184-K264 IonicContact OE1-NZ 3.24Å; E184-K264 PolarHBondContact OE1-NZ 2.82Å
185	S	91.4	Very high	84.9	Confident	29 Å²	29	32.4 Å²	32.4	20%	0.203	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-74.6	137	174.6	61.6	0	0	0	0	111.1	P64	P64-S185 WeakPolarHBondContact CB-OG 3.27Å
186	V	90.9	Very high	83.2	Confident	13 Å²	13	34 Å²	34	8%	0.079	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-100.8	127.4	170.7	-177.9	0	0	0	0	108.6	P171 T189 K264 V266	P171-V186 HydrophobicContact CG-CG2 4.14Å; V186-T189 WeakPolarHBondContact O-CG2 3.41Å; V186-K264 HydrophobicContact CB-CB 4.49Å; V186-K264 HydrophobicContact CG1-CB 3.85Å; V186-K264 HydrophobicContact CG1-CG 4.26Å; V186-K264 HydrophobicContact CG2-CB 3.74Å; V186-K264 HydrophobicContact CG2-CG 4.14Å; V186-V266 HydrophobicContact CB-CG2 4.3Å; V186-V266 HydrophobicContact CG1-CG2 4.17Å; V186-V266 HydrophobicContact CG2-CG2 4.33Å
187	E	87.8	Confident	81.5	Confident	98 Å²	98	37.5 Å²	37.5	46%	0.458	21%	0.213	S	C	.	.	S	Bend	trans	-64.9	-48.9	-174.8	-65.6	80.2	-178.1	0	0	111.6	N258	E187-N258 VanDerWaalsContact OE2-CA 3.23Å; E187-N258 WeakPolarHBondContact OE2-CA 3.21Å; E187-N258 WeakPolarHBondContact OE2-CB 3.02Å
188	Y	87.6	Confident	79.8	Confident	98 Å²	98	46.8 Å²	46.8	38%	0.384	25%	0.248	S	C	.	.	B	Isolated β-bridge	trans	-110	103.6	178.6	-58.8	-84	0	0	0	109.9	S190 G256 Y257	Y188-S190 VanDerWaalsContact C-N 3.28Å; Y188-S190 PolarHBondContact O-N 2.79Å; Y188-G256 CarbonylContact O-C 3.57Å; Y188-G256 WeakPolarHBondContact O-CA 3.05Å; Y188-Y257 VanDerWaalsContact CB-CZ 3.49Å; Y188-Y257 WeakPolarHBondContact CB-O 3.3Å; Y188-Y257 HydrophobicContact CD1-CE2 4.06Å; Y188-Y257 AromaticContact CD1-CZ 3.95Å; Y188-Y257 AromaticContact CD2-CD2 3.56Å; Y188-Y257 HydrophobicContact CD2-CD2 3.56Å; Y188-Y257 AromaticContact CD2-CE2 3.24Å; Y188-Y257 HydrophobicContact CD2-CE2 3.24Å; Y188-Y257 HydrophobicContact CD2-CG 4.44Å; Y188-Y257 AromaticContact CD2-CZ 3.93Å; Y188-Y257 HydrophobicContact CE2-CD2 4.34Å; Y188-Y257 AromaticContact CE2-CE2 3.84Å; Y188-Y257 HydrophobicContact CE2-CE2 3.84Å; Y188-Y257 AromaticContact CG-CD2 3.93Å; Y188-Y257 HydrophobicContact CG-CD2 3.93Å; Y188-Y257 HydrophobicContact CG-CE1 4.19Å; Y188-Y257 AromaticContact CG-CE2 3.36Å; Y188-Y257 HydrophobicContact CG-CE2 3.36Å; Y188-Y257 AromaticContact CG-CZ 3.51Å; Y188-Y257 PolarHBondContact N-O 3.06Å; Y188-Y257 VanDerWaalsContact N-O 3.14Å; Y188-Y257 PolarHBondContact O-N 2.83Å
189	T	85.4	Confident	78.5	Confident	78 Å²	78	50.1 Å²	50.1	48%	0.479	27%	0.268	S	S	.	.			trans	-86.9	14.4	-172.7	65.3	0	0	0	0	114.7	V186	V186-T189 WeakPolarHBondContact O-CG2 3.41Å
190	S	85.9	Confident	77.3	Confident	27 Å²	27	53.7 Å²	53.7	19%	0.189	29%	0.286	C	S	.	.			trans	-152.9	140.8	175.6	-164.2	0	0	0	0	110.7	Y188 Y192 A252 L255	Y188-S190 VanDerWaalsContact C-N 3.28Å; Y188-S190 PolarHBondContact O-N 2.79Å; S190-Y192 VanDerWaalsContact C-N 3.33Å; S190-Y192 PolarHBondContact O-N 2.91Å; S190-Y192 PolarHBondContact OG-O 3.24Å; S190-Y192 VanDerWaalsContact OG-O 3.1Å; S190-A252 CarbonylContact C-O 3.51Å; S190-A252 VanDerWaalsContact CA-O 3.26Å; S190-A252 WeakPolarHBondContact CA-O 3.15Å; S190-A252 PolarHBondContact OG-O 3.25Å; S190-L255 CarbonylContact C-O 3.59Å; S190-L255 VanDerWaalsContact C-O 3.26Å; S190-L255 WeakPolarHBondContact CA-O 3.47Å; S190-L255 PolarHBondContact N-O 3.2Å
191	L	80.8	Confident	75.7	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	30%	0.301	C	S	.	.	S	Bend	trans	-63	-40.4	176	-74.3	-179.5	0	0	0	113.1	I226 A252 L255 L263	L191-I226 HydrophobicContact CD2-CG2 3.35Å; L191-A252 HydrophobicContact CB-CB 4.21Å; L191-A252 PolarHBondContact N-O 2.8Å; L191-L255 HydrophobicContact CD1-CB 3.77Å; L191-L255 HydrophobicContact CD1-CD1 3.41Å; L191-L255 VanDerWaalsContact CD1-CD1 3.41Å; L191-L255 HydrophobicContact CD1-CG 4.21Å; L191-L255 HydrophobicContact CD2-CB 4.15Å; L191-L255 HydrophobicContact CG-CB 3.53Å; L191-L255 HydrophobicContact CG-CD1 4.19Å; L191-L255 HydrophobicContact CG-CG 4.49Å; L191-L255 PolarHBondContact N-O 2.77Å; L191-L255 VanDerWaalsContact N-O 3.11Å; L191-L263 HydrophobicContact CD2-CD1 3.93Å
192	Y	73.6	Confident	74.3	Confident	60 Å²	60	63.2 Å²	63.2	24%	0.235	34%	0.335	C	S	.	.	S	Bend	trans	-161.3	157.1	-179.5	57.2	-97	0	0	0	108.9	S190 A252 Y328	S190-Y192 VanDerWaalsContact C-N 3.33Å; S190-Y192 PolarHBondContact O-N 2.91Å; S190-Y192 PolarHBondContact OG-O 3.24Å; S190-Y192 VanDerWaalsContact OG-O 3.1Å; Y192-A252 HydrophobicContact CD1-CB 3.93Å; Y192-A252 HydrophobicContact CD2-CB 4.07Å; Y192-A252 HydrophobicContact CE1-CB 3.59Å; Y192-A252 HydrophobicContact CE2-CB 3.73Å; Y192-A252 HydrophobicContact CG-CB 4.16Å; Y192-A252 VanDerWaalsContact CZ-CB 3.48Å; Y192-Y328 AromaticContact CD1-CD2 3.59Å; Y192-Y328 HydrophobicContact CD1-CD2 3.59Å; Y192-Y328 HydrophobicContact CD1-CE2 4.22Å; Y192-Y328 HydrophobicContact CD1-CG 4.3Å; Y192-Y328 HydrophobicContact CE1-CD2 4.32Å; Y192-Y328 HydrophobicContact CG-CD2 4.38Å
193	G	61	Low	73	Confident	30 Å²	30	71 Å²	71	31%	0.309	37%	0.369	S	S	.	.			trans	104.9	144	-175.8	0	0	0	0	0	113.4	D213	G193-D213 WeakPolarHBondContact CA-OD1 3.24Å; G193-D213 PolarHBondContact N-O 3.47Å
194	I	58.7	Low	71.4	Confident	45 Å²	45	72.2 Å²	72.2	23%	0.231	38%	0.375	C	S	.	.			trans	-95.4	127.4	-179	-49.5	171.9	0	0	0	108.3	L196 M212 D213 F216	I194-L196 VanDerWaalsContact C-N 3.32Å; I194-L196 HydrophobicContact CB-CD1 4.4Å; I194-L196 HydrophobicContact CB-CD2 4.38Å; I194-L196 HydrophobicContact CB-CG 3.97Å; I194-L196 HydrophobicContact CG2-CD1 4.44Å; I194-L196 HydrophobicContact CG2-CD2 3.56Å; I194-L196 HydrophobicContact CG2-CG 3.63Å; I194-L196 PolarHBondContact O-N 3.04Å; I194-M212 HydrophobicContact CD1-CB 4.22Å; I194-D213 PolarHBondContact N-OD1 3.21Å; I194-F216 HydrophobicContact CD1-CD2 3.53Å; I194-F216 HydrophobicContact CD1-CE2 3.47Å; I194-F216 VanDerWaalsContact CD1-CE2 3.47Å; I194-F216 HydrophobicContact CG1-CD2 3.79Å; I194-F216 HydrophobicContact CG1-CE2 4.2Å
195	S	55.3	Low	70.1	Confident	122 Å²	122	74.3 Å²	74.3	85%	0.853	39%	0.392	S	S	*	.			trans	-74.5	86.8	167.9	64	0	0	0	0	109.4
196	L	56.8	Low	68.5	Low	38 Å²	38	78.1 Å²	78.1	20%	0.199	42%	0.419	C	S	.	.			trans	-89.4	138.8	179.7	-68.5	171.2	0	0	0	110.9	I194 W198 I200 E201 I204	I194-L196 VanDerWaalsContact C-N 3.32Å; I194-L196 HydrophobicContact CB-CD1 4.4Å; I194-L196 HydrophobicContact CB-CD2 4.38Å; I194-L196 HydrophobicContact CB-CG 3.97Å; I194-L196 HydrophobicContact CG2-CD1 4.44Å; I194-L196 HydrophobicContact CG2-CD2 3.56Å; I194-L196 HydrophobicContact CG2-CG 3.63Å; I194-L196 PolarHBondContact O-N 3.04Å; L196-W198 PolarHBondContact O-N 3.05Å; L196-I200 HydrophobicContact CD1-CG2 4.32Å; L196-I200 HydrophobicContact CD2-CG2 4.22Å; L196-E201 HydrophobicContact CB-CG 3.92Å; L196-I204 HydrophobicContact CD1-CD1 3.28Å
197	P	58.3	Low	67.1	Low	78 Å²	78	80.3 Å²	80.3	51%	0.506	45%	0.445	S	S	.	.			trans	-52.2	139.9	166.9	-24.5	32.4	0	0	0	111	V199 I200 E201	P197-V199 PolarHBondContact O-N 3.14Å; P197-I200 HydrophobicContact CG-CD1 4.2Å; P197-I200 PolarHBondContact O-N 3.25Å; P197-E201 PolarHBondContact O-N 3.16Å
198	W	57.5	Low	65.6	Low	195 Å²	195	81.4 Å²	81.4	74%	0.739	45%	0.448	S	S	*	.	H	α-helix	trans	-51.4	-31.7	-176.6	69.1	-91.4	0	0	0	113.6	L196 I200 E201 L202	L196-W198 PolarHBondContact O-N 3.05Å; W198-I200 VanDerWaalsContact C-N 3.33Å; W198-I200 PolarHBondContact O-N 2.78Å; W198-E201 PolarHBondContact O-N 3.23Å; W198-L202 PolarHBondContact O-N 3.18Å
199	V	64.6	Low	64.2	Low	69 Å²	69	79.9 Å²	79.9	42%	0.418	44%	0.442	S	S	.	.	H	α-helix	trans	-63	-39.7	177.3	-175.5	0	0	0	0	111.4	P197 F203	P197-V199 PolarHBondContact O-N 3.14Å; V199-F203 HydrophobicContact CG1-CE2 4.37Å; V199-F203 WeakPolarHBondContact O-CD2 3.46Å; V199-F203 VanDerWaalsContact O-CE2 3.28Å; V199-F203 WeakPolarHBondContact O-CE2 3.26Å
200	I	62.5	Low	62.8	Low	87 Å²	87	85.3 Å²	85.3	45%	0.446	45%	0.453	S	S	.	.	H	α-helix	trans	-79.3	-32.7	-178.9	-63.2	171.9	0	0	0	110.5	L196 P197 W198 L202 F203 I204	L196-I200 HydrophobicContact CD1-CG2 4.32Å; L196-I200 HydrophobicContact CD2-CG2 4.22Å; P197-I200 HydrophobicContact CG-CD1 4.2Å; P197-I200 PolarHBondContact O-N 3.25Å; W198-I200 VanDerWaalsContact C-N 3.33Å; W198-I200 PolarHBondContact O-N 2.78Å; I200-L202 PolarHBondContact O-N 2.92Å; I200-F203 PolarHBondContact O-N 3.18Å; I200-I204 HydrophobicContact CG2-CD1 4.04Å
201	E	59.1	Low	61.4	Low	70 Å²	70	87 Å²	87	33%	0.327	47%	0.465	S	S	.	.	H	α-helix	trans	-58.4	-32.4	176.3	-68.7	-165.8	159.3	0	0	113.3	L196 P197 W198 F203 I204 R209	L196-E201 HydrophobicContact CB-CG 3.92Å; P197-E201 PolarHBondContact O-N 3.16Å; W198-E201 PolarHBondContact O-N 3.23Å; E201-F203 VanDerWaalsContact C-N 3.26Å; E201-F203 PolarHBondContact O-N 3.25Å; E201-I204 PolarHBondContact O-N 3.41Å; E201-R209 IonicContact OE1-CZ 3.77Å; E201-R209 IonicContact OE1-NH1 2.78Å; E201-R209 IonicContact OE1-NH2 2.86Å; E201-R209 PolarHBondContact OE1-NH2 3.47Å; E201-R209 IonicContact OE2-NH1 2.64Å; E201-R209 IonicContact OE2-NH2 3.28Å
202	L	62.2	Low	60.1	Low	140 Å²	140	89.2 Å²	89.2	73%	0.733	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-23.8	-178.2	-142	97.7	0	0	0	113.4	W198 I200	W198-L202 PolarHBondContact O-N 3.18Å; I200-L202 PolarHBondContact O-N 2.92Å
203	F	66	Low	59.2	Low	163 Å²	163	87.8 Å²	87.8	72%	0.715	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-0.4	-176.1	-64.2	-75.5	0	0	0	113.6	V199 I200 E201 P205	V199-F203 HydrophobicContact CG1-CE2 4.37Å; V199-F203 WeakPolarHBondContact O-CD2 3.46Å; V199-F203 VanDerWaalsContact O-CE2 3.28Å; V199-F203 WeakPolarHBondContact O-CE2 3.26Å; I200-F203 PolarHBondContact O-N 3.18Å; E201-F203 VanDerWaalsContact C-N 3.26Å; E201-F203 PolarHBondContact O-N 3.25Å; F203-P205 WeakPolarHBondContact O-CD 3.04Å
204	I	60.9	Low	59	Low	30 Å²	30	87.6 Å²	87.6	15%	0.154	46%	0.464	C	S	.	.	S	Bend	trans	-98.3	117.8	-177.3	-64.1	164.1	0	0	0	109.6	L196 I200 E201 S206 F208 R209 M212	L196-I204 HydrophobicContact CD1-CD1 3.28Å; I200-I204 HydrophobicContact CG2-CD1 4.04Å; E201-I204 PolarHBondContact O-N 3.41Å; I204-S206 PolarHBondContact O-N 3.26Å; I204-F208 HydrophobicContact CG2-CB 4.32Å; I204-R209 HydrophobicContact CG2-CB 4.08Å; I204-M212 HydrophobicContact CD1-CE 3.5Å; I204-M212 HydrophobicContact CG1-CE 3.95Å; I204-M212 HydrophobicContact CG2-CE 3.9Å
205	P	64.9	Low	59.1	Low	88 Å²	88	92 Å²	92	57%	0.571	49%	0.487	S	S	*	.			trans	-55.7	135	172.2	-22.1	31.8	0	0	0	110.7	F203 G207 F208 R209	F203-P205 WeakPolarHBondContact O-CD 3.04Å; P205-G207 PolarHBondContact O-N 3.39Å; P205-G207 VanDerWaalsContact O-N 3.08Å; P205-F208 HydrophobicContact CB-CB 4.38Å; P205-F208 WeakPolarHBondContact O-CB 3Å; P205-F208 PolarHBondContact O-N 3.14Å; P205-R209 PolarHBondContact O-N 3.18Å
206	S	59.5	Low	59.5	Low	110 Å²	110	92.9 Å²	92.9	77%	0.769	48%	0.476	S	S	*	.	H	α-helix	trans	-53.7	-33.1	-177.5	50.8	0	0	0	0	113.5	I204	I204-S206 PolarHBondContact O-N 3.26Å
207	G	59.9	Low	60.3	Low	59 Å²	59	92.5 Å²	92.5	61%	0.608	48%	0.475	S	S	*	.	H	α-helix	trans	-69.7	-27	174.3	0	0	0	0	0	114.9	P205	P205-G207 PolarHBondContact O-N 3.39Å; P205-G207 VanDerWaalsContact O-N 3.08Å
208	F	57.4	Low	61.5	Low	121 Å²	121	89.7 Å²	89.7	53%	0.531	46%	0.456	S	S	.	.	H	α-helix	trans	-84.2	-25.6	179.2	-157.6	-110.2	0	0	0	112.2	I204 P205 S211 M212	I204-F208 HydrophobicContact CG2-CB 4.32Å; P205-F208 HydrophobicContact CB-CB 4.38Å; P205-F208 WeakPolarHBondContact O-CB 3Å; P205-F208 PolarHBondContact O-N 3.14Å; F208-S211 PolarHBondContact O-N 3.15Å; F208-M212 HydrophobicContact CD1-CE 4.01Å; F208-M212 HydrophobicContact CD1-CG 3.61Å; F208-M212 HydrophobicContact CD1-SD 3.85Å; F208-M212 HydrophobicContact CE1-CE 4.27Å; F208-M212 HydrophobicContact CE1-CG 3.46Å; F208-M212 VanDerWaalsContact CE1-CG 3.46Å; F208-M212 HydrophobicContact CE1-SD 3.53Å; F208-M212 VanDerWaalsContact CE1-SD 3.53Å; F208-M212 HydrophobicContact CZ-CG 4.29Å; F208-M212 PolarHBondContact O-N 3.02Å
209	R	57.9	Low	63	Low	66 Å²	66	83 Å²	83	25%	0.249	44%	0.439	C	S	.	.	H	α-helix	trans	-61.4	-46.3	-179.5	-163.5	165.6	-177.2	142.7	2.7	113	E201 I204 P205 S211 M212 D213	E201-R209 IonicContact OE1-CZ 3.77Å; E201-R209 IonicContact OE1-NH1 2.78Å; E201-R209 IonicContact OE1-NH2 2.86Å; E201-R209 PolarHBondContact OE1-NH2 3.47Å; E201-R209 IonicContact OE2-NH1 2.64Å; E201-R209 IonicContact OE2-NH2 3.28Å; I204-R209 HydrophobicContact CG2-CB 4.08Å; P205-R209 PolarHBondContact O-N 3.18Å; R209-S211 VanDerWaalsContact C-N 3.26Å; R209-S211 PolarHBondContact O-N 2.96Å; R209-M212 PolarHBondContact O-N 3.11Å; R209-D213 WeakPolarHBondContact O-CB 3.48Å; R209-D213 VanDerWaalsContact O-CG 3.27Å; R209-D213 PolarHBondContact O-N 3.23Å
210	R	56.7	Low	64.2	Low	192 Å²	192	80.7 Å²	80.7	73%	0.725	42%	0.423	S	S	*	.	H	α-helix	trans	-59	-35.3	174.6	-87.7	-175.4	176.1	169.7	-0.7	113.1	Q214	R210-Q214 VanDerWaalsContact O-CD 3.25Å; R210-Q214 VanDerWaalsContact O-CG 3.26Å; R210-Q214 WeakPolarHBondContact O-CG 3.45Å; R210-Q214 PolarHBondContact O-OE1 3.41Å
211	S	55.2	Low	65.6	Low	63 Å²	63	78.2 Å²	78.2	44%	0.441	41%	0.413	S	S	.	.	H	α-helix	trans	-77.3	-37.1	179.1	-65.3	0	0	0	0	112.5	F208 R209	F208-S211 PolarHBondContact O-N 3.15Å; R209-S211 VanDerWaalsContact C-N 3.26Å; R209-S211 PolarHBondContact O-N 2.96Å
212	M	54.1	Low	67.2	Low	47 Å²	47	79.3 Å²	79.3	23%	0.232	41%	0.414	C	S	.	.	H	α-helix	trans	-72.6	-42.4	177.7	-76.5	-148.5	-61.8	0	0	113.3	I194 I204 F208 R209 Q214 L215	I194-M212 HydrophobicContact CD1-CB 4.22Å; I204-M212 HydrophobicContact CD1-CE 3.5Å; I204-M212 HydrophobicContact CG1-CE 3.95Å; I204-M212 HydrophobicContact CG2-CE 3.9Å; F208-M212 HydrophobicContact CD1-CE 4.01Å; F208-M212 HydrophobicContact CD1-CG 3.61Å; F208-M212 HydrophobicContact CD1-SD 3.85Å; F208-M212 HydrophobicContact CE1-CE 4.27Å; F208-M212 HydrophobicContact CE1-CG 3.46Å; F208-M212 VanDerWaalsContact CE1-CG 3.46Å; F208-M212 HydrophobicContact CE1-SD 3.53Å; F208-M212 VanDerWaalsContact CE1-SD 3.53Å; F208-M212 HydrophobicContact CZ-CG 4.29Å; F208-M212 PolarHBondContact O-N 3.02Å; R209-M212 PolarHBondContact O-N 3.11Å; M212-Q214 PolarHBondContact O-N 3.3Å; M212-L215 PolarHBondContact O-N 2.88Å; M212-L215 VanDerWaalsContact O-N 3.15Å
213	D	55.5	Low	68.6	Low	31 Å²	31	73.1 Å²	73.1	17%	0.166	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-21.7	179.9	-77.3	-21.8	0	0	0	112.7	G193 I194 R209	G193-D213 WeakPolarHBondContact CA-OD1 3.24Å; G193-D213 PolarHBondContact N-O 3.47Å; I194-D213 PolarHBondContact N-OD1 3.21Å; R209-D213 WeakPolarHBondContact O-CB 3.48Å; R209-D213 VanDerWaalsContact O-CG 3.27Å; R209-D213 PolarHBondContact O-N 3.23Å
214	Q	56.8	Low	69.9	Low	26 Å²	26	65.3 Å²	65.3	12%	0.121	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-7.7	-175	-63.9	178.4	-7.4	0	0	113.6	R210 M212 F216 T217	R210-Q214 VanDerWaalsContact O-CD 3.25Å; R210-Q214 VanDerWaalsContact O-CG 3.26Å; R210-Q214 WeakPolarHBondContact O-CG 3.45Å; R210-Q214 PolarHBondContact O-OE1 3.41Å; M212-Q214 PolarHBondContact O-N 3.3Å; Q214-F216 VanDerWaalsContact C-N 3.35Å; Q214-T217 PolarHBondContact O-OG1 3.11Å
215	L	59.4	Low	71.5	Confident	138 Å²	138	66.8 Å²	66.8	72%	0.723	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-27.2	175.2	-159.2	73.3	0	0	0	111.8	M212 T217	M212-L215 PolarHBondContact O-N 2.88Å; M212-L215 VanDerWaalsContact O-N 3.15Å; L215-T217 VanDerWaalsContact C-N 3.35Å; L215-T217 PolarHBondContact O-N 2.89Å
216	F	64.9	Low	72.9	Confident	140 Å²	140	62.7 Å²	62.7	61%	0.614	33%	0.325	S	S	*	.	S	Bend	trans	-98.1	52.7	177.8	-62.7	-84	0	0	0	111.2	I194 Q214	I194-F216 HydrophobicContact CD1-CD2 3.53Å; I194-F216 HydrophobicContact CD1-CE2 3.47Å; I194-F216 VanDerWaalsContact CD1-CE2 3.47Å; I194-F216 HydrophobicContact CG1-CD2 3.79Å; I194-F216 HydrophobicContact CG1-CE2 4.2Å; Q214-F216 VanDerWaalsContact C-N 3.35Å
217	T	72.8	Confident	74.6	Confident	30 Å²	30	57.4 Å²	57.4	18%	0.184	29%	0.289	C	S	.	.			trans	-116.2	146.7	174.6	57.4	0	0	0	0	109.5	Q214 L215 K223 Y328	Q214-T217 PolarHBondContact O-OG1 3.11Å; L215-T217 VanDerWaalsContact C-N 3.35Å; L215-T217 PolarHBondContact O-N 2.89Å; T217-K223 WeakPolarHBondContact OG1-CE 3.28Å; T217-K223 PolarHBondContact OG1-NZ 3.04Å; T217-Y328 HydrophobicContact CG2-CD2 4.4Å; T217-Y328 HydrophobicContact CG2-CE2 4.16Å
218	P	83.1	Confident	76.3	Confident	18 Å²	18	55 Å²	55	12%	0.117	26%	0.262	C	S	.	.			trans	-68	172.9	-177.2	30.3	-36	0	0	0	111.3	R222 K223 I226 Y261	P218-R222 HydrophobicContact CB-CB 3.82Å; P218-R222 HydrophobicContact CG-CB 4.18Å; P218-K223 HydrophobicContact CG-CG 4.01Å; P218-K223 WeakPolarHBondContact O-CE 3.46Å; P218-K223 WeakPolarHBondContact O-CG 3.49Å; P218-I226 HydrophobicContact CG-CD1 4.13Å; P218-Y261 HydrophobicContact CB-CD1 4.11Å; P218-Y261 HydrophobicContact CB-CE1 3.6Å; P218-Y261 HydrophobicContact CG-CD1 4.27Å; P218-Y261 HydrophobicContact CG-CE1 4.17Å
219	S	88.8	Confident	78.1	Confident	55 Å²	55	49.8 Å²	49.8	39%	0.385	24%	0.242	S	C	.	.			trans	-55.5	151.4	175.5	67.4	0	0	0	0	111	P221 R222 K223	S219-P221 VanDerWaalsContact C-CD 3.45Å; S219-P221 VanDerWaalsContact C-N 3.33Å; S219-R222 WeakPolarHBondContact O-CB 3.09Å; S219-R222 PolarHBondContact O-N 3.22Å; S219-R222 VanDerWaalsContact OG-CD 3.28Å; S219-R222 WeakPolarHBondContact OG-CD 3.25Å; S219-K223 PolarHBondContact O-N 3.38Å
220	W	90.9	Very high	79.9	Confident	20 Å²	20	46.7 Å²	46.7	8%	0.076	23%	0.23	C	C	.	.	H	α-helix	trans	-54.1	-40.3	-174.4	-169.9	92.1	0	0	0	114.2	R222 K223 A224 L329 G332 P334 I337 L341 L373 K376	W220-R222 VanDerWaalsContact C-N 3.3Å; W220-R222 PolarHBondContact O-N 3.44Å; W220-K223 WeakPolarHBondContact O-CB 3.39Å; W220-K223 PolarHBondContact O-N 2.99Å; W220-K223 VanDerWaalsContact O-N 3.16Å; W220-A224 HydrophobicContact CE3-CB 4.33Å; W220-A224 HydrophobicContact CH2-CB 3.93Å; W220-A224 HydrophobicContact CZ2-CB 4.48Å; W220-A224 HydrophobicContact CZ3-CB 3.84Å; W220-A224 PolarHBondContact O-N 2.91Å; W220-L329 PolarHBondContact NE1-O 3.15Å; W220-G332 WeakPolarHBondContact CB-O 3.47Å; W220-G332 VanDerWaalsContact CD1-O 3.24Å; W220-P334 VanDerWaalsContact CD2-CD 3.5Å; W220-P334 HydrophobicContact CD2-CG 4.2Å; W220-P334 HydrophobicContact CE3-CG 4.04Å; W220-P334 HydrophobicContact CZ3-CG 4.38Å; W220-I337 HydrophobicContact CH2-CD1 3.17Å; W220-I337 HydrophobicContact CZ2-CD1 3.45Å; W220-I337 VanDerWaalsContact CZ2-CD1 3.45Å; W220-I337 HydrophobicContact CZ3-CD1 3.95Å; W220-L341 HydrophobicContact CZ2-CD2 4.05Å; W220-L373 HydrophobicContact CH2-CD2 3.97Å; W220-L373 HydrophobicContact CZ2-CD2 4.08Å; W220-K376 HydrophobicContact CE3-CG 4.2Å; W220-K376 HydrophobicContact CH2-CB 4.07Å; W220-K376 HydrophobicContact CH2-CG 4.09Å; W220-K376 HydrophobicContact CZ3-CB 3.72Å; W220-K376 HydrophobicContact CZ3-CG 3.42Å; W220-K376 VanDerWaalsContact CZ3-CG 3.42Å
221	P	92	Very high	81.8	Confident	35 Å²	35	37.6 Å²	37.6	23%	0.227	20%	0.196	C	C	.	.	H	α-helix	trans	-58.3	-39.2	174.5	-26	35.7	0	0	0	113.6	S219 A224 K225 I377 T380	S219-P221 VanDerWaalsContact C-CD 3.45Å; S219-P221 VanDerWaalsContact C-N 3.33Å; P221-A224 WeakPolarHBondContact O-CB 3.14Å; P221-A224 PolarHBondContact O-N 3.37Å; P221-K225 PolarHBondContact O-N 3.01Å; P221-I377 HydrophobicContact CB-CG2 4.11Å; P221-I377 WeakPolarHBondContact O-CG2 2.88Å; P221-T380 HydrophobicContact CG-CG2 4.31Å
222	R	91.4	Very high	83.6	Confident	94 Å²	94	38.5 Å²	38.5	36%	0.355	19%	0.193	S	C	.	.	H	α-helix	trans	-69.4	-38	176.8	-66	166.9	177.5	-174.8	9.3	111.7	P218 S219 W220 A224 K225 I226 Y261	P218-R222 HydrophobicContact CB-CB 3.82Å; P218-R222 HydrophobicContact CG-CB 4.18Å; S219-R222 WeakPolarHBondContact O-CB 3.09Å; S219-R222 PolarHBondContact O-N 3.22Å; S219-R222 VanDerWaalsContact OG-CD 3.28Å; S219-R222 WeakPolarHBondContact OG-CD 3.25Å; W220-R222 VanDerWaalsContact C-N 3.3Å; W220-R222 PolarHBondContact O-N 3.44Å; R222-A224 VanDerWaalsContact C-N 3.3Å; R222-A224 PolarHBondContact O-N 3.14Å; R222-K225 PolarHBondContact O-N 3.37Å; R222-I226 WeakPolarHBondContact O-CG1 3.38Å; R222-I226 PolarHBondContact O-N 3.05Å; R222-Y261 HydrophobicContact CB-CD1 3.87Å; R222-Y261 HydrophobicContact CB-CD2 4.13Å; R222-Y261 HydrophobicContact CB-CE1 4.27Å; R222-Y261 HydrophobicContact CB-CE2 4.5Å; R222-Y261 HydrophobicContact CB-CG 3.8Å; R222-Y261 VanDerWaalsContact CD-CZ 3.43Å; R222-Y261 HydrophobicContact CG-CD1 4.28Å; R222-Y261 HydrophobicContact CG-CD2 3.67Å; R222-Y261 HydrophobicContact CG-CE1 4.45Å; R222-Y261 HydrophobicContact CG-CE2 3.87Å; R222-Y261 HydrophobicContact CG-CG 3.89Å; R222-Y261 PolarHBondContact NH1-OH 2.72Å
223	K	91.9	Very high	85.6	Confident	9 Å²	9	36.2 Å²	36.2	4%	0.039	18%	0.182	C	C	.	.	H	α-helix	trans	-59.3	-43.5	171.2	-60.7	-173.8	-172.5	-167.8	0	111.6	T217 P218 S219 W220 I226 A227 Y328 L329 R331	T217-K223 WeakPolarHBondContact OG1-CE 3.28Å; T217-K223 PolarHBondContact OG1-NZ 3.04Å; P218-K223 HydrophobicContact CG-CG 4.01Å; P218-K223 WeakPolarHBondContact O-CE 3.46Å; P218-K223 WeakPolarHBondContact O-CG 3.49Å; S219-K223 PolarHBondContact O-N 3.38Å; W220-K223 WeakPolarHBondContact O-CB 3.39Å; W220-K223 PolarHBondContact O-N 2.99Å; W220-K223 VanDerWaalsContact O-N 3.16Å; K223-I226 PolarHBondContact O-N 2.88Å; K223-A227 WeakPolarHBondContact O-CB 3.44Å; K223-A227 PolarHBondContact O-N 3.35Å; K223-Y328 HydrophobicContact CB-CD1 4.23Å; K223-Y328 HydrophobicContact CB-CE1 3.51Å; K223-Y328 HydrophobicContact CD-CE1 4.33Å; K223-Y328 HydrophobicContact CD-CE2 4.34Å; K223-Y328 WeakPolarHBondContact CD-O 3.42Å; K223-Y328 HydrophobicContact CG-CE1 3.93Å; K223-Y328 HydrophobicContact CG-CE2 4.24Å; K223-Y328 PolarHBondContact NZ-O 3.2Å; K223-L329 HydrophobicContact CB-CD2 4.37Å; K223-R331 PolarHBondContact NZ-O 3.36Å; K223-R331 VanDerWaalsContact NZ-O 3.16Å
224	A	94.4	Very high	87.4	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.7	-43.1	177.7	0	0	0	0	0	111.2	W220 P221 R222 A227 I228 L373 I377	W220-A224 HydrophobicContact CE3-CB 4.33Å; W220-A224 HydrophobicContact CH2-CB 3.93Å; W220-A224 HydrophobicContact CZ2-CB 4.48Å; W220-A224 HydrophobicContact CZ3-CB 3.84Å; W220-A224 PolarHBondContact O-N 2.91Å; P221-A224 WeakPolarHBondContact O-CB 3.14Å; P221-A224 PolarHBondContact O-N 3.37Å; R222-A224 VanDerWaalsContact C-N 3.3Å; R222-A224 PolarHBondContact O-N 3.14Å; A224-A227 PolarHBondContact O-N 3.09Å; A224-I228 WeakPolarHBondContact O-CG1 3.26Å; A224-I228 PolarHBondContact O-N 2.82Å; A224-L373 HydrophobicContact CB-CB 4.34Å; A224-L373 HydrophobicContact CB-CD2 4Å; A224-I377 HydrophobicContact CB-CG2 3.68Å
225	K	94.1	Very high	89	Confident	61 Å²	61	36.8 Å²	36.8	27%	0.265	18%	0.184	S	C	.	.	H	α-helix	trans	-57.5	-49.6	174.1	-172	179.5	177.2	-170.7	0	112.3	P221 R222 A227 I228 G229 K260 D262	P221-K225 PolarHBondContact O-N 3.01Å; R222-K225 PolarHBondContact O-N 3.37Å; K225-A227 VanDerWaalsContact C-N 3.31Å; K225-A227 PolarHBondContact O-N 3.37Å; K225-I228 PolarHBondContact O-N 2.72Å; K225-G229 PolarHBondContact O-N 2.94Å; K225-K260 PolarHBondContact NZ-O 3.46Å; K225-D262 WeakPolarHBondContact CE-OD1 3.29Å; K225-D262 IonicContact NZ-OD1 2.81Å; K225-D262 PolarHBondContact NZ-OD1 2.68Å
226	I	94.4	Very high	90.6	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-41.6	177.3	-63.7	162.8	0	0	0	111.4	L191 P218 R222 K223 I228 G229 L230 Y257 Y261 L263 Y328	L191-I226 HydrophobicContact CD2-CG2 3.35Å; P218-I226 HydrophobicContact CG-CD1 4.13Å; R222-I226 WeakPolarHBondContact O-CG1 3.38Å; R222-I226 PolarHBondContact O-N 3.05Å; K223-I226 PolarHBondContact O-N 2.88Å; I226-I228 PolarHBondContact O-N 2.89Å; I226-G229 PolarHBondContact O-N 3.06Å; I226-L230 PolarHBondContact O-N 3.16Å; I226-L230 VanDerWaalsContact O-N 3.15Å; I226-Y257 HydrophobicContact CD1-CD1 3.76Å; I226-Y257 HydrophobicContact CD1-CD2 4.08Å; I226-Y257 HydrophobicContact CD1-CE1 4.2Å; I226-Y257 HydrophobicContact CD1-CE2 4.48Å; I226-Y257 HydrophobicContact CD1-CG 3.71Å; I226-Y257 HydrophobicContact CG1-CG 4.29Å; I226-Y261 HydrophobicContact CD1-CD1 4.02Å; I226-Y261 VanDerWaalsContact CG1-O 3.25Å; I226-Y261 WeakPolarHBondContact CG1-O 3.37Å; I226-L263 HydrophobicContact CG2-CB 4.34Å; I226-L263 HydrophobicContact CG2-CD1 3.62Å; I226-Y328 WeakPolarHBondContact CD1-OH 3.4Å
227	A	95.6	Very high	91.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64	-39.2	179.1	0	0	0	0	0	112.4	K223 A224 K225 G229 L230 L231 L325 L329 L373	K223-A227 WeakPolarHBondContact O-CB 3.44Å; K223-A227 PolarHBondContact O-N 3.35Å; A224-A227 PolarHBondContact O-N 3.09Å; K225-A227 VanDerWaalsContact C-N 3.31Å; K225-A227 PolarHBondContact O-N 3.37Å; A227-G229 VanDerWaalsContact C-N 3.34Å; A227-L230 WeakPolarHBondContact O-CB 2.98Å; A227-L230 PolarHBondContact O-N 3.36Å; A227-L230 VanDerWaalsContact O-N 3.14Å; A227-L231 WeakPolarHBondContact O-CG 3.27Å; A227-L231 PolarHBondContact O-N 2.85Å; A227-L231 VanDerWaalsContact O-N 3.08Å; A227-L325 HydrophobicContact CB-CD1 3.98Å; A227-L325 HydrophobicContact CB-CD2 3.64Å; A227-L325 HydrophobicContact CB-CG 4.42Å; A227-L329 HydrophobicContact CB-CD1 4Å; A227-L329 HydrophobicContact CB-CD2 3.82Å; A227-L329 HydrophobicContact CB-CG 4.24Å; A227-L373 HydrophobicContact CB-CD1 4.04Å
228	I	95.2	Very high	92.4	Very high	9 Å²	9	25.8 Å²	25.8	5%	0.046	13%	0.129	C	C	.	.	H	α-helix	trans	-59.9	-46.1	173.7	-68.9	171.9	0	0	0	110.3	A224 K225 I226 L230 L231 E232 L373 W374 I377	A224-I228 WeakPolarHBondContact O-CG1 3.26Å; A224-I228 PolarHBondContact O-N 2.82Å; K225-I228 PolarHBondContact O-N 2.72Å; I226-I228 PolarHBondContact O-N 2.89Å; I228-L230 PolarHBondContact O-N 3.22Å; I228-L231 WeakPolarHBondContact O-CB 3.43Å; I228-L231 PolarHBondContact O-N 3.11Å; I228-E232 HydrophobicContact CG2-CG 4.36Å; I228-E232 WeakPolarHBondContact CG2-OE1 3.38Å; I228-E232 WeakPolarHBondContact O-CG 3.36Å; I228-E232 PolarHBondContact O-N 2.96Å; I228-L373 HydrophobicContact CD1-CB 3.75Å; I228-L373 HydrophobicContact CG1-CB 3.81Å; I228-L373 HydrophobicContact CG1-CD1 3.92Å; I228-W374 HydrophobicContact CD1-CB 4.38Å; I228-W374 HydrophobicContact CD1-CE3 3.85Å; I228-I377 HydrophobicContact CD1-CD1 3.69Å
229	G	95.4	Very high	92.1	Very high	10 Å²	10	29.3 Å²	29.3	10%	0.103	14%	0.144	C	C	.	.	H	α-helix	trans	-57.8	-31.6	175.5	0	0	0	0	0	113.5	K225 I226 A227 F233 L263	K225-G229 PolarHBondContact O-N 2.94Å; I226-G229 PolarHBondContact O-N 3.06Å; A227-G229 VanDerWaalsContact C-N 3.34Å; G229-F233 WeakPolarHBondContact O-CB 3.45Å; G229-F233 PolarHBondContact O-N 3.04Å; G229-L263 VanDerWaalsContact C-CD2 3.47Å
230	L	96.2	Very high	91.7	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-73.3	-39	175.9	-178.2	60.8	0	0	0	111.7	I226 A227 I228 E232 F233 V234 M247 L255 L263 A321 L325	I226-L230 PolarHBondContact O-N 3.16Å; I226-L230 VanDerWaalsContact O-N 3.15Å; A227-L230 WeakPolarHBondContact O-CB 2.98Å; A227-L230 PolarHBondContact O-N 3.36Å; A227-L230 VanDerWaalsContact O-N 3.14Å; I228-L230 PolarHBondContact O-N 3.22Å; L230-E232 VanDerWaalsContact C-N 3.34Å; L230-F233 HydrophobicContact CD1-CD1 4.4Å; L230-F233 PolarHBondContact O-N 3.32Å; L230-V234 VanDerWaalsContact O-CG2 3.31Å; L230-V234 WeakPolarHBondContact O-CG2 3.18Å; L230-V234 PolarHBondContact O-N 3.49Å; L230-M247 HydrophobicContact CD1-CE 4.33Å; L230-L255 HydrophobicContact CD1-CD1 4.09Å; L230-L255 HydrophobicContact CD1-CD2 3.92Å; L230-L255 HydrophobicContact CD2-CD1 4.06Å; L230-L263 HydrophobicContact CB-CD2 3.76Å; L230-L263 HydrophobicContact CD1-CD2 4.06Å; L230-L263 VanDerWaalsContact N-CD2 3.34Å; L230-A321 HydrophobicContact CD2-CB 4.13Å; L230-A321 HydrophobicContact CG-CB 4.21Å; L230-L325 HydrophobicContact CD2-CD1 4.1Å; L230-L325 HydrophobicContact CD2-CD2 3.97Å; L230-L325 HydrophobicContact CD2-CG 3.9Å
231	L	95.3	Very high	91.4	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-66.1	-38.9	175.8	-63.7	176.1	0	0	0	111	A227 I228 V234 E235 L318 L325 L366 L369 K370 L373	A227-L231 WeakPolarHBondContact O-CG 3.27Å; A227-L231 PolarHBondContact O-N 2.85Å; A227-L231 VanDerWaalsContact O-N 3.08Å; I228-L231 WeakPolarHBondContact O-CB 3.43Å; I228-L231 PolarHBondContact O-N 3.11Å; L231-V234 PolarHBondContact O-N 2.94Å; L231-E235 PolarHBondContact O-N 2.62Å; L231-E235 VanDerWaalsContact O-N 3.14Å; L231-L318 HydrophobicContact CD2-CD1 3.68Å; L231-L325 HydrophobicContact CD2-CD1 4.19Å; L231-L325 HydrophobicContact CG-CD1 4.37Å; L231-L366 HydrophobicContact CB-CD1 3.79Å; L231-L366 HydrophobicContact CD2-CD1 4Å; L231-L366 HydrophobicContact CG-CD1 4.38Å; L231-L369 HydrophobicContact CD1-CB 3.95Å; L231-K370 HydrophobicContact CB-CD 4.37Å; L231-K370 HydrophobicContact CB-CG 4.08Å; L231-K370 HydrophobicContact CD1-CG 3.92Å; L231-L373 HydrophobicContact CD1-CD1 4.34Å
232	E	94.4	Very high	91.2	Very high	82 Å²	82	29.4 Å²	29.4	38%	0.383	15%	0.146	S	C	.	.	H	α-helix	trans	-65.2	-41.5	172.9	-69.8	170.6	171.4	0	0	112	I228 L230 V234 E235 D236 K370	I228-E232 HydrophobicContact CG2-CG 4.36Å; I228-E232 WeakPolarHBondContact CG2-OE1 3.38Å; I228-E232 WeakPolarHBondContact O-CG 3.36Å; I228-E232 PolarHBondContact O-N 2.96Å; L230-E232 VanDerWaalsContact C-N 3.34Å; E232-V234 VanDerWaalsContact C-N 3.33Å; E232-V234 PolarHBondContact O-N 3.09Å; E232-E235 WeakPolarHBondContact O-CB 3.42Å; E232-E235 PolarHBondContact O-N 3.17Å; E232-D236 PolarHBondContact O-N 3.47Å; E232-K370 HydrophobicContact CG-CD 4.44Å
233	F	95	Very high	91	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.6	-45.2	172.9	176.2	-105.6	0	0	0	112.1	L164 H169 G229 L230 E235 D236 V237 M247 M265 M268 I271	L164-F233 HydrophobicContact CD1-CD2 4.38Å; L164-F233 HydrophobicContact CD1-CE2 3.71Å; H169-F233 HydrophobicContact CB-CB 4.44Å; H169-F233 AromaticContact CD2-CD2 3.39Å; H169-F233 WeakPolarHBondContact CD2-CD2 3.17Å; H169-F233 AromaticContact CG-CD2 3.96Å; H169-F233 AromaticContact NE2-CD2 3.55Å; G229-F233 WeakPolarHBondContact O-CB 3.45Å; G229-F233 PolarHBondContact O-N 3.04Å; L230-F233 HydrophobicContact CD1-CD1 4.4Å; L230-F233 PolarHBondContact O-N 3.32Å; F233-E235 VanDerWaalsContact C-N 3.26Å; F233-E235 PolarHBondContact O-N 3.11Å; F233-D236 PolarHBondContact O-N 2.99Å; F233-V237 HydrophobicContact CD2-CG1 4.13Å; F233-V237 HydrophobicContact CE1-CG1 3.95Å; F233-V237 HydrophobicContact CE1-CG2 4.37Å; F233-V237 HydrophobicContact CE2-CG1 3.56Å; F233-V237 HydrophobicContact CZ-CG1 3.46Å; F233-V237 VanDerWaalsContact CZ-CG1 3.46Å; F233-V237 WeakPolarHBondContact O-CG2 3.12Å; F233-V237 PolarHBondContact O-N 3.27Å; F233-M247 HydrophobicContact CD1-CE 4.08Å; F233-M247 HydrophobicContact CD1-SD 4.02Å; F233-M247 HydrophobicContact CE1-CE 3.85Å; F233-M247 HydrophobicContact CE1-CG 4.32Å; F233-M247 HydrophobicContact CE1-SD 3.78Å; F233-M265 HydrophobicContact CD1-CE 3.99Å; F233-M265 HydrophobicContact CD1-CG 4.27Å; F233-M265 HydrophobicContact CD1-SD 3.63Å; F233-M265 HydrophobicContact CD2-CG 3.71Å; F233-M265 HydrophobicContact CD2-SD 4.15Å; F233-M265 HydrophobicContact CE1-CE 3.42Å; F233-M265 VanDerWaalsContact CE1-CE 3.42Å; F233-M265 HydrophobicContact CE1-CG 4.16Å; F233-M265 HydrophobicContact CE1-SD 3.67Å; F233-M265 HydrophobicContact CE2-CE 4.41Å; F233-M265 HydrophobicContact CE2-CG 3.56Å; F233-M265 HydrophobicContact CE2-SD 4.17Å; F233-M265 HydrophobicContact CG-CG 4.04Å; F233-M265 HydrophobicContact CG-SD 3.86Å; F233-M265 HydrophobicContact CZ-CE 3.65Å; F233-M265 HydrophobicContact CZ-CG 3.78Å; F233-M265 HydrophobicContact CZ-SD 3.92Å; F233-M268 HydrophobicContact CE2-SD 4.26Å; F233-M268 HydrophobicContact CZ-SD 4.35Å; F233-I271 HydrophobicContact CE1-CD1 3.71Å; F233-I271 HydrophobicContact CZ-CD1 3.42Å; F233-I271 VanDerWaalsContact CZ-CD1 3.42Å
234	V	93.8	Very high	90.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.1	-40.4	177.2	168	0	0	0	0	111.5	L230 L231 E232 V237 F238 M247 N317 L318 A321	L230-V234 VanDerWaalsContact O-CG2 3.31Å; L230-V234 WeakPolarHBondContact O-CG2 3.18Å; L230-V234 PolarHBondContact O-N 3.49Å; L231-V234 PolarHBondContact O-N 2.94Å; E232-V234 VanDerWaalsContact C-N 3.33Å; E232-V234 PolarHBondContact O-N 3.09Å; V234-V237 WeakPolarHBondContact O-CG2 3.23Å; V234-F238 VanDerWaalsContact O-CB 3.27Å; V234-F238 WeakPolarHBondContact O-CB 3.48Å; V234-F238 PolarHBondContact O-N 2.76Å; V234-F238 VanDerWaalsContact O-N 3.09Å; V234-M247 HydrophobicContact CG2-SD 3.87Å; V234-N317 HydrophobicContact CG1-CB 3.9Å; V234-N317 HydrophobicContact CG2-CB 4.49Å; V234-L318 HydrophobicContact CG1-CB 4.06Å; V234-A321 HydrophobicContact CG2-CB 3.72Å
235	E	91	Very high	90.8	Very high	69 Å²	69	27.9 Å²	27.9	32%	0.322	15%	0.147	S	C	.	.	H	α-helix	trans	-63.2	-47	176.3	-168.6	171.1	-179.9	0	0	111.4	L231 E232 F233 V237 F238 H239 L366 K370	L231-E235 PolarHBondContact O-N 2.62Å; L231-E235 VanDerWaalsContact O-N 3.14Å; E232-E235 WeakPolarHBondContact O-CB 3.42Å; E232-E235 PolarHBondContact O-N 3.17Å; F233-E235 VanDerWaalsContact C-N 3.26Å; F233-E235 PolarHBondContact O-N 3.11Å; E235-V237 VanDerWaalsContact C-N 3.34Å; E235-V237 PolarHBondContact O-N 3.16Å; E235-F238 PolarHBondContact O-N 3.39Å; E235-H239 PolarHBondContact O-N 3.33Å; E235-L366 HydrophobicContact CB-CD2 4.12Å; E235-L366 HydrophobicContact CG-CD2 4.2Å; E235-K370 IonicContact OE2-NZ 2.83Å; E235-K370 PolarHBondContact OE2-NZ 3.34Å
236	D	91.9	Very high	90.7	Very high	39 Å²	39	25.3 Å²	25.3	21%	0.209	14%	0.136	C	C	.	.	H	α-helix	trans	-66.1	-31.2	-178.9	-80.6	-23.4	0	0	0	113.7	L164 K167 H169 E232 F233 G240	L164-D236 HydrophobicContact CD2-CB 4.11Å; K167-D236 WeakPolarHBondContact CD-OD2 2.94Å; K167-D236 WeakPolarHBondContact CE-OD2 3.4Å; K167-D236 IonicContact NZ-OD1 2.82Å; K167-D236 PolarHBondContact NZ-OD1 3.27Å; K167-D236 IonicContact NZ-OD2 2.68Å; K167-D236 PolarHBondContact NZ-OD2 2.67Å; H169-D236 IonicContact CE1-OD2 3.74Å; H169-D236 PolarHBondContact CE1-OD2 3.17Å; H169-D236 IonicContact NE2-OD2 3.65Å; H169-D236 PolarHBondContact NE2-OD2 3.22Å; E232-D236 PolarHBondContact O-N 3.47Å; F233-D236 PolarHBondContact O-N 2.99Å; D236-G240 WeakPolarHBondContact O-CA 3.43Å; D236-G240 PolarHBondContact O-N 2.96Å
237	V	91.5	Very high	90.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	14%	0.136	C	C	.	.	H	α-helix	trans	-87.3	-21.7	177.5	-61.6	0	0	0	0	114.2	L164 F233 V234 E235 F245 M247	L164-V237 HydrophobicContact CD1-CG1 4.05Å; F233-V237 HydrophobicContact CD2-CG1 4.13Å; F233-V237 HydrophobicContact CE1-CG1 3.95Å; F233-V237 HydrophobicContact CE1-CG2 4.37Å; F233-V237 HydrophobicContact CE2-CG1 3.56Å; F233-V237 HydrophobicContact CZ-CG1 3.46Å; F233-V237 VanDerWaalsContact CZ-CG1 3.46Å; F233-V237 WeakPolarHBondContact O-CG2 3.12Å; F233-V237 PolarHBondContact O-N 3.27Å; V234-V237 WeakPolarHBondContact O-CG2 3.23Å; E235-V237 VanDerWaalsContact C-N 3.34Å; E235-V237 PolarHBondContact O-N 3.16Å; V237-F245 HydrophobicContact CB-CB 4.2Å; V237-F245 PolarHBondContact O-N 3.3Å; V237-M247 HydrophobicContact CG2-CG 4.47Å; V237-M247 HydrophobicContact CG2-SD 4.39Å
238	F	83.8	Confident	90.4	Very high	36 Å²	36	25.3 Å²	25.3	16%	0.158	14%	0.136	C	C	.	.	H	α-helix	trans	-96.9	-26.7	179.7	-171.3	-100.7	0	0	0	113	V234 E235 N244	V234-F238 VanDerWaalsContact O-CB 3.27Å; V234-F238 WeakPolarHBondContact O-CB 3.48Å; V234-F238 PolarHBondContact O-N 2.76Å; V234-F238 VanDerWaalsContact O-N 3.09Å; E235-F238 PolarHBondContact O-N 3.39Å; F238-N244 PolarHBondContact O-OD1 3.03Å
239	H	76.3	Confident	90	Very high	92 Å²	92	26.5 Å²	26.5	43%	0.426	14%	0.143	S	C	.	.	S	Bend	trans	-117	27.4	176.6	-66.8	-62.2	0	0	0	112.7	E235	E235-H239 PolarHBondContact O-N 3.33Å
240	G	81.3	Confident	89.6	Confident	17 Å²	17	27 Å²	27	18%	0.175	14%	0.144	C	C	.	.			trans	-68	154.7	-179.1	0	0	0	0	0	113.3	D236 Y242 G243	D236-G240 WeakPolarHBondContact O-CA 3.43Å; D236-G240 PolarHBondContact O-N 2.96Å; G240-Y242 PolarHBondContact O-N 3Å; G240-G243 PolarHBondContact O-N 3.3Å
241	P	84.3	Confident	89.2	Confident	72 Å²	72	29 Å²	29	47%	0.468	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-8.4	-179.4	27.5	-35.3	0	0	0	114.3
242	Y	87.5	Confident	88.8	Confident	24 Å²	24	29.3 Å²	29.3	9%	0.094	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	22	-175.3	-47.8	-58.5	0	0	0	112.9	N121 L125 I163 G240	N121-Y242 HydrophobicContact CB-CD1 4.16Å; N121-Y242 HydrophobicContact CB-CE1 3.87Å; N121-Y242 WeakPolarHBondContact O-CE1 3.4Å; L125-Y242 HydrophobicContact CB-CD1 3.97Å; L125-Y242 HydrophobicContact CB-CE1 3.65Å; L125-Y242 HydrophobicContact CD1-CD2 4.24Å; L125-Y242 HydrophobicContact CD1-CE2 3.93Å; L125-Y242 HydrophobicContact CD2-CD1 4.13Å; L125-Y242 HydrophobicContact CD2-CD2 4.29Å; L125-Y242 HydrophobicContact CD2-CG 4Å; L125-Y242 HydrophobicContact CG-CE1 4.46Å; I163-Y242 HydrophobicContact CB-CD2 4.25Å; I163-Y242 HydrophobicContact CB-CE2 4.41Å; I163-Y242 HydrophobicContact CD1-CD2 3.86Å; I163-Y242 HydrophobicContact CG1-CD2 3.69Å; I163-Y242 HydrophobicContact CG1-CE2 3.99Å; I163-Y242 HydrophobicContact CG2-CD2 3.64Å; I163-Y242 HydrophobicContact CG2-CE2 3.95Å; G240-Y242 PolarHBondContact O-N 3Å
243	G	86.9	Confident	88.4	Confident	9 Å²	9	32.9 Å²	32.9	9%	0.093	18%	0.175	C	C	.	.			trans	94	179.7	178.7	0	0	0	0	0	113.7	G240 F245	G240-G243 PolarHBondContact O-N 3.3Å; G243-F245 WeakPolarHBondContact O-CD2 3.37Å
244	N	90.1	Very high	88.1	Confident	58 Å²	58	33.6 Å²	33.6	31%	0.31	18%	0.179	S	C	.	.			trans	-85.7	137.5	-173.4	-57	-7.9	0	0	0	111.1	F238 E274	F238-N244 PolarHBondContact O-OD1 3.03Å; N244-E274 HydrophobicContact CB-CB 4.06Å; N244-E274 WeakPolarHBondContact CB-OE2 3.4Å; N244-E274 PolarHBondContact ND2-OE2 3.04Å; N244-E274 WeakPolarHBondContact O-CB 3.41Å; N244-E274 PolarHBondContact O-N 2.93Å
245	F	92.9	Very high	88.1	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.018	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	138.3	170.6	-63.3	-100.3	0	0	0	109.9	L116 L160 I163 V237 G243 I271 V272 P273 N317	L116-F245 HydrophobicContact CD2-CE1 3.9Å; L116-F245 HydrophobicContact CD2-CZ 3.65Å; L160-F245 HydrophobicContact CD2-CD1 3.77Å; L160-F245 HydrophobicContact CD2-CD2 4.27Å; L160-F245 HydrophobicContact CD2-CE1 3.83Å; L160-F245 HydrophobicContact CD2-CE2 4.35Å; L160-F245 HydrophobicContact CD2-CG 4Å; L160-F245 HydrophobicContact CD2-CZ 4.14Å; L160-F245 HydrophobicContact CG-CD1 4.41Å; L160-F245 HydrophobicContact CG-CE1 4.37Å; I163-F245 HydrophobicContact CD1-CE2 4.38Å; I163-F245 HydrophobicContact CD1-CZ 3.82Å; V237-F245 HydrophobicContact CB-CB 4.2Å; V237-F245 PolarHBondContact O-N 3.3Å; G243-F245 WeakPolarHBondContact O-CD2 3.37Å; F245-I271 HydrophobicContact CB-CG2 3.75Å; F245-V272 CarbonylContact C-O 3.56Å; F245-V272 WeakPolarHBondContact CA-O 3.43Å; F245-P273 HydrophobicContact CD1-CB 4.41Å; F245-P273 HydrophobicContact CD1-CG 4.07Å; F245-P273 HydrophobicContact CE1-CB 4.38Å; F245-P273 HydrophobicContact CE1-CG 3.83Å; F245-N317 PolarHBondContact O-ND2 3.42Å
246	L	92.3	Very high	88.1	Confident	6 Å²	6	30.3 Å²	30.3	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.3	178.4	-61.3	174.7	0	0	0	110.3	C248 I271 V272 E274 L277 V313 N317	L246-C248 PolarHBondContact O-N 3.46Å; L246-I271 VanDerWaalsContact O-CA 3.3Å; L246-I271 WeakPolarHBondContact O-CA 3.31Å; L246-V272 HydrophobicContact CB-CG2 4.23Å; L246-V272 PolarHBondContact N-O 3.08Å; L246-V272 PolarHBondContact O-N 3.22Å; L246-E274 HydrophobicContact CD1-CB 4.34Å; L246-E274 HydrophobicContact CD1-CG 4.09Å; L246-E274 HydrophobicContact CG-CB 4.22Å; L246-E274 HydrophobicContact CG-CG 4.3Å; L246-L277 HydrophobicContact CD1-CB 4.3Å; L246-L277 HydrophobicContact CD1-CD1 3.88Å; L246-L277 HydrophobicContact CD1-CD2 3.96Å; L246-L277 HydrophobicContact CD1-CG 4.27Å; L246-V313 HydrophobicContact CD1-CG1 4.26Å; L246-V313 HydrophobicContact CD1-CG2 3.74Å; L246-V313 HydrophobicContact CD2-CG1 4.24Å; L246-N317 WeakPolarHBondContact CA-OD1 3.29Å
247	M	93.1	Very high	88.2	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	96.8	173.7	-65.3	174.7	66.3	0	0	109	L230 F233 V234 V237 T250 I271 N317 K320	L230-M247 HydrophobicContact CD1-CE 4.33Å; F233-M247 HydrophobicContact CD1-CE 4.08Å; F233-M247 HydrophobicContact CD1-SD 4.02Å; F233-M247 HydrophobicContact CE1-CE 3.85Å; F233-M247 HydrophobicContact CE1-CG 4.32Å; F233-M247 HydrophobicContact CE1-SD 3.78Å; V234-M247 HydrophobicContact CG2-SD 3.87Å; V237-M247 HydrophobicContact CG2-CG 4.47Å; V237-M247 HydrophobicContact CG2-SD 4.39Å; M247-T250 HydrophobicContact CE-CG2 3.81Å; M247-I271 HydrophobicContact CG-CD1 4.25Å; M247-I271 HydrophobicContact CG-CG1 4.3Å; M247-N317 HydrophobicContact CG-CB 4.44Å; M247-N317 PolarHBondContact N-OD1 2.78Å; M247-N317 HydrophobicContact SD-CB 4.16Å; M247-K320 VanDerWaalsContact O-CD 3.24Å; M247-K320 WeakPolarHBondContact O-CD 3.48Å; M247-K320 PolarHBondContact O-NZ 3.2Å
248	C	90.3	Very high	88.2	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.			trans	-97.3	154.7	173.3	-49.3	0	0	0	0	110.5	L246 T250 K270 Y294 D297 C298	L246-C248 PolarHBondContact O-N 3.46Å; C248-T250 PolarHBondContact O-N 3.49Å; C248-T250 PolarHBondContact O-OG1 2.95Å; C248-K270 WeakPolarHBondContact CA-O 3.47Å; C248-K270 VanDerWaalsContact CB-O 3.31Å; C248-K270 WeakPolarHBondContact CB-O 3.07Å; C248-K270 PolarHBondContact N-O 2.97Å; C248-K270 WeakPolarHBondContact O-CB 3.31Å; C248-Y294 HydrophobicContact CB-CD1 4.38Å; C248-D297 VanDerWaalsContact CA-OD1 3.28Å; C248-D297 WeakPolarHBondContact CA-OD1 3.46Å; C248-C298 WeakPolarHBondContact CA-SG 3.49Å; C248-C298 HydrophobicContact CB-CB 3.98Å; C248-C298 WeakPolarHBondContact CB-SG 3.41Å; C248-C298 WeakPolarHBondContact SG-CB 3.44Å; C248-C298 CovalentContact SG-SG 2.03Å; C248-C298 PolarHBondContact SG-SG 2.68Å
249	D	87.1	Confident	88.5	Confident	34 Å²	34	33.8 Å²	33.8	18%	0.182	18%	0.182	C	C	.	.	S	Bend	trans	49.7	27.4	177	-58.5	-24.4	0	0	0	114.3	K270 G295 T296 D297	D249-K270 HydrophobicContact CB-CB 4.03Å; D249-K270 HydrophobicContact CB-CD 4.33Å; D249-K270 HydrophobicContact CB-CG 3.95Å; D249-K270 WeakPolarHBondContact OD2-CD 3.24Å; D249-K270 VanDerWaalsContact OD2-CE 3.3Å; D249-K270 WeakPolarHBondContact OD2-CE 3.3Å; D249-K270 IonicContact OD2-NZ 3.71Å; D249-K270 PolarHBondContact OD2-NZ 3.12Å; D249-G295 WeakPolarHBondContact OD1-CA 3.31Å; D249-T296 WeakPolarHBondContact OD1-CA 3.39Å; D249-T296 VanDerWaalsContact OD1-CB 3.29Å; D249-T296 WeakPolarHBondContact OD1-CB 3.5Å; D249-T296 WeakPolarHBondContact OD1-CG2 3.27Å; D249-T296 PolarHBondContact OD1-N 3.28Å; D249-T296 PolarHBondContact OD1-OG1 2.86Å; D249-D297 PolarHBondContact N-OD1 2.95Å
250	T	87.1	Confident	89.2	Confident	20 Å²	20	36.5 Å²	36.5	12%	0.123	19%	0.193	C	C	.	.			trans	-82.2	130.3	-173.6	-58.1	0	0	0	0	110.9	M247 C248 N254 L255 L324	M247-T250 HydrophobicContact CE-CG2 3.81Å; C248-T250 PolarHBondContact O-N 3.49Å; C248-T250 PolarHBondContact O-OG1 2.95Å; T250-N254 HydrophobicContact CG2-CB 4.38Å; T250-L255 HydrophobicContact CG2-CD1 4.5Å; T250-L324 HydrophobicContact CG2-CD1 3.86Å
251	S	88.3	Confident	89.7	Confident	43 Å²	43	37.6 Å²	37.6	30%	0.301	19%	0.192	S	C	.	.			trans	-136.4	172.3	-179.6	74.9	0	0	0	0	111.3	K253 N254	S251-K253 PolarHBondContact O-N 2.92Å; S251-K253 PolarHBondContact OG-N 3.26Å; S251-N254 PolarHBondContact N-OD1 3.04Å; S251-N254 WeakPolarHBondContact O-CB 3.42Å; S251-N254 PolarHBondContact O-N 3.25Å; S251-N254 PolarHBondContact O-OD1 3.08Å; S251-N254 PolarHBondContact OG-OD1 3.04Å
252	A	86.6	Confident	90.1	Very high	8 Å²	8	35.6 Å²	35.6	7%	0.066	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-15.6	174.2	0	0	0	0	0	114.6	S190 L191 Y192	S190-A252 CarbonylContact C-O 3.51Å; S190-A252 VanDerWaalsContact CA-O 3.26Å; S190-A252 WeakPolarHBondContact CA-O 3.15Å; S190-A252 PolarHBondContact OG-O 3.25Å; L191-A252 HydrophobicContact CB-CB 4.21Å; L191-A252 PolarHBondContact N-O 2.8Å; Y192-A252 HydrophobicContact CD1-CB 3.93Å; Y192-A252 HydrophobicContact CD2-CB 4.07Å; Y192-A252 HydrophobicContact CE1-CB 3.59Å; Y192-A252 HydrophobicContact CE2-CB 3.73Å; Y192-A252 HydrophobicContact CG-CB 4.16Å; Y192-A252 VanDerWaalsContact CZ-CB 3.48Å
253	K	85.6	Confident	90.5	Very high	156 Å²	156	34.7 Å²	34.7	68%	0.678	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-15	176.7	-62.3	-179.6	179.1	-179.8	0	113.4	S251 L255	S251-K253 PolarHBondContact O-N 2.92Å; S251-K253 PolarHBondContact OG-N 3.26Å; K253-L255 VanDerWaalsContact C-N 3.33Å
254	N	89.4	Confident	90.9	Very high	16 Å²	16	35.3 Å²	35.3	9%	0.086	17%	0.174	C	C	.	.	S	Bend	trans	-88	-11.1	177.4	-57.5	94.2	0	0	0	112	T250 S251 V266 D267	T250-N254 HydrophobicContact CG2-CB 4.38Å; S251-N254 PolarHBondContact N-OD1 3.04Å; S251-N254 WeakPolarHBondContact O-CB 3.42Å; S251-N254 PolarHBondContact O-N 3.25Å; S251-N254 PolarHBondContact O-OD1 3.08Å; S251-N254 PolarHBondContact OG-OD1 3.04Å; N254-V266 PolarHBondContact O-N 3.42Å; N254-D267 HydrophobicContact CB-CB 4.41Å; N254-D267 PolarHBondContact O-N 2.87Å
255	L	92.3	Very high	91.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.8	-170	-63.4	174.2	0	0	0	108.7	S190 L191 L230 T250 K253 L263 M265 L324	S190-L255 CarbonylContact C-O 3.59Å; S190-L255 VanDerWaalsContact C-O 3.26Å; S190-L255 WeakPolarHBondContact CA-O 3.47Å; S190-L255 PolarHBondContact N-O 3.2Å; L191-L255 HydrophobicContact CD1-CB 3.77Å; L191-L255 HydrophobicContact CD1-CD1 3.41Å; L191-L255 VanDerWaalsContact CD1-CD1 3.41Å; L191-L255 HydrophobicContact CD1-CG 4.21Å; L191-L255 HydrophobicContact CD2-CB 4.15Å; L191-L255 HydrophobicContact CG-CB 3.53Å; L191-L255 HydrophobicContact CG-CD1 4.19Å; L191-L255 HydrophobicContact CG-CG 4.49Å; L191-L255 PolarHBondContact N-O 2.77Å; L191-L255 VanDerWaalsContact N-O 3.11Å; L230-L255 HydrophobicContact CD1-CD1 4.09Å; L230-L255 HydrophobicContact CD1-CD2 3.92Å; L230-L255 HydrophobicContact CD2-CD1 4.06Å; T250-L255 HydrophobicContact CG2-CD1 4.5Å; K253-L255 VanDerWaalsContact C-N 3.33Å; L255-L263 HydrophobicContact CB-CD1 4.38Å; L255-L263 HydrophobicContact CD2-CD1 4.39Å; L255-M265 HydrophobicContact CD2-CE 3.53Å; L255-M265 HydrophobicContact CD2-SD 3.18Å; L255-M265 WeakPolarHBondContact CD2-SD 3.48Å; L255-L324 HydrophobicContact CD1-CD1 4.23Å
256	G	92.5	Very high	91	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	-174.6	178.9	0	0	0	0	0	111.6	Y188 L263 K264	Y188-G256 CarbonylContact O-C 3.57Å; Y188-G256 WeakPolarHBondContact O-CA 3.05Å; G256-L263 CarbonylContact O-C 3.59Å; G256-L263 WeakPolarHBondContact O-CD1 3.35Å; G256-K264 PolarHBondContact N-O 2.89Å; G256-K264 PolarHBondContact O-N 2.96Å
257	Y	93	Very high	90.8	Very high	17 Å²	17	34 Å²	34	7%	0.067	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	159.2	175.5	56.3	-85.6	0	0	0	111.3	Y188 I226 Y261 D262	Y188-Y257 VanDerWaalsContact CB-CZ 3.49Å; Y188-Y257 WeakPolarHBondContact CB-O 3.3Å; Y188-Y257 HydrophobicContact CD1-CE2 4.06Å; Y188-Y257 AromaticContact CD1-CZ 3.95Å; Y188-Y257 AromaticContact CD2-CD2 3.56Å; Y188-Y257 HydrophobicContact CD2-CD2 3.56Å; Y188-Y257 AromaticContact CD2-CE2 3.24Å; Y188-Y257 HydrophobicContact CD2-CE2 3.24Å; Y188-Y257 HydrophobicContact CD2-CG 4.44Å; Y188-Y257 AromaticContact CD2-CZ 3.93Å; Y188-Y257 HydrophobicContact CE2-CD2 4.34Å; Y188-Y257 AromaticContact CE2-CE2 3.84Å; Y188-Y257 HydrophobicContact CE2-CE2 3.84Å; Y188-Y257 AromaticContact CG-CD2 3.93Å; Y188-Y257 HydrophobicContact CG-CD2 3.93Å; Y188-Y257 HydrophobicContact CG-CE1 4.19Å; Y188-Y257 AromaticContact CG-CE2 3.36Å; Y188-Y257 HydrophobicContact CG-CE2 3.36Å; Y188-Y257 AromaticContact CG-CZ 3.51Å; Y188-Y257 PolarHBondContact N-O 3.06Å; Y188-Y257 VanDerWaalsContact N-O 3.14Å; Y188-Y257 PolarHBondContact O-N 2.83Å; I226-Y257 HydrophobicContact CD1-CD1 3.76Å; I226-Y257 HydrophobicContact CD1-CD2 4.08Å; I226-Y257 HydrophobicContact CD1-CE1 4.2Å; I226-Y257 HydrophobicContact CD1-CE2 4.48Å; I226-Y257 HydrophobicContact CD1-CG 3.71Å; I226-Y257 HydrophobicContact CG1-CG 4.29Å; Y257-Y261 AromaticContact CD2-CD1 3.69Å; Y257-Y261 HydrophobicContact CD2-CD1 3.69Å; Y257-Y261 HydrophobicContact CD2-CE1 4.1Å; Y257-Y261 AromaticContact CE2-CD1 3.71Å; Y257-Y261 HydrophobicContact CE2-CD1 3.71Å; Y257-Y261 AromaticContact CE2-CE1 3.66Å; Y257-Y261 HydrophobicContact CE2-CE1 3.66Å; Y257-D262 WeakPolarHBondContact CA-O 3.15Å; Y257-D262 VanDerWaalsContact CB-O 3.29Å; Y257-D262 WeakPolarHBondContact CB-O 3.39Å
258	N	91.6	Very high	90.8	Very high	28 Å²	28	34 Å²	34	15%	0.15	17%	0.168	C	C	.	.			trans	-90.9	179	175.6	70.7	8.2	0	0	0	112.3	E187 K260 Y261 D262	E187-N258 VanDerWaalsContact OE2-CA 3.23Å; E187-N258 WeakPolarHBondContact OE2-CA 3.21Å; E187-N258 WeakPolarHBondContact OE2-CB 3.02Å; N258-K260 PolarHBondContact O-N 3.3Å; N258-K260 VanDerWaalsContact O-N 3.12Å; N258-K260 WeakPolarHBondContact OD1-CA 3.26Å; N258-K260 WeakPolarHBondContact OD1-CB 3.03Å; N258-K260 PolarHBondContact OD1-N 3.38Å; N258-Y261 WeakPolarHBondContact O-CA 3.49Å; N258-Y261 PolarHBondContact O-N 3.43Å; N258-Y261 PolarHBondContact OD1-N 3.4Å; N258-D262 PolarHBondContact N-O 2.81Å; N258-D262 VanDerWaalsContact N-O 3.1Å; N258-D262 PolarHBondContact ND2-OD2 2.76Å; N258-D262 PolarHBondContact OD1-N 3.02Å; N258-D262 PolarHBondContact OD1-OD2 3.45Å
259	D	89.6	Confident	90.7	Very high	103 Å²	103	37.8 Å²	37.8	55%	0.551	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-21	177.7	-71.9	-23.2	0	0	0	114.2	Y261	D259-Y261 VanDerWaalsContact C-N 3.3Å
260	K	91.3	Very high	90.8	Very high	149 Å²	149	40.2 Å²	40.2	65%	0.648	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	1.1	174.5	-60.8	-178.5	-178.5	179.2	0	112.9	K225 N258 D262	K225-K260 PolarHBondContact NZ-O 3.46Å; N258-K260 PolarHBondContact O-N 3.3Å; N258-K260 VanDerWaalsContact O-N 3.12Å; N258-K260 WeakPolarHBondContact OD1-CA 3.26Å; N258-K260 WeakPolarHBondContact OD1-CB 3.03Å; N258-K260 PolarHBondContact OD1-N 3.38Å; K260-D262 WeakPolarHBondContact CB-OD2 3.47Å; K260-D262 PolarHBondContact O-N 2.85Å
261	Y	91.3	Very high	91	Very high	40 Å²	40	39.3 Å²	39.3	16%	0.157	19%	0.186	C	C	.	.			trans	62.3	28.7	-175.4	-55	-81.4	0	0	0	113.8	P218 R222 I226 Y257 N258 D259	P218-Y261 HydrophobicContact CB-CD1 4.11Å; P218-Y261 HydrophobicContact CB-CE1 3.6Å; P218-Y261 HydrophobicContact CG-CD1 4.27Å; P218-Y261 HydrophobicContact CG-CE1 4.17Å; R222-Y261 HydrophobicContact CB-CD1 3.87Å; R222-Y261 HydrophobicContact CB-CD2 4.13Å; R222-Y261 HydrophobicContact CB-CE1 4.27Å; R222-Y261 HydrophobicContact CB-CE2 4.5Å; R222-Y261 HydrophobicContact CB-CG 3.8Å; R222-Y261 VanDerWaalsContact CD-CZ 3.43Å; R222-Y261 HydrophobicContact CG-CD1 4.28Å; R222-Y261 HydrophobicContact CG-CD2 3.67Å; R222-Y261 HydrophobicContact CG-CE1 4.45Å; R222-Y261 HydrophobicContact CG-CE2 3.87Å; R222-Y261 HydrophobicContact CG-CG 3.89Å; R222-Y261 PolarHBondContact NH1-OH 2.72Å; I226-Y261 HydrophobicContact CD1-CD1 4.02Å; I226-Y261 VanDerWaalsContact CG1-O 3.25Å; I226-Y261 WeakPolarHBondContact CG1-O 3.37Å; Y257-Y261 AromaticContact CD2-CD1 3.69Å; Y257-Y261 HydrophobicContact CD2-CD1 3.69Å; Y257-Y261 HydrophobicContact CD2-CE1 4.1Å; Y257-Y261 AromaticContact CE2-CD1 3.71Å; Y257-Y261 HydrophobicContact CE2-CD1 3.71Å; Y257-Y261 AromaticContact CE2-CE1 3.66Å; Y257-Y261 HydrophobicContact CE2-CE1 3.66Å; N258-Y261 WeakPolarHBondContact O-CA 3.49Å; N258-Y261 PolarHBondContact O-N 3.43Å; N258-Y261 PolarHBondContact OD1-N 3.4Å; D259-Y261 VanDerWaalsContact C-N 3.3Å
262	D	93.3	Very high	91.2	Very high	31 Å²	31	37.5 Å²	37.5	17%	0.166	17%	0.173	C	C	.	.			trans	-80.3	131.5	166.5	-45.9	-40.3	0	0	0	107.8	K225 Y257 N258 K260	K225-D262 WeakPolarHBondContact CE-OD1 3.29Å; K225-D262 IonicContact NZ-OD1 2.81Å; K225-D262 PolarHBondContact NZ-OD1 2.68Å; Y257-D262 WeakPolarHBondContact CA-O 3.15Å; Y257-D262 VanDerWaalsContact CB-O 3.29Å; Y257-D262 WeakPolarHBondContact CB-O 3.39Å; N258-D262 PolarHBondContact N-O 2.81Å; N258-D262 VanDerWaalsContact N-O 3.1Å; N258-D262 PolarHBondContact ND2-OD2 2.76Å; N258-D262 PolarHBondContact OD1-N 3.02Å; N258-D262 PolarHBondContact OD1-OD2 3.45Å; K260-D262 WeakPolarHBondContact CB-OD2 3.47Å; K260-D262 PolarHBondContact O-N 2.85Å
263	L	95.7	Very high	91.4	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	146.6	178.4	-177.8	78.9	0	0	0	110.1	H169 L191 I226 G229 L230 L255 G256 M265	H169-L263 VanDerWaalsContact CA-O 3.26Å; H169-L263 WeakPolarHBondContact CA-O 3.39Å; H169-L263 HydrophobicContact CB-CD2 4.35Å; L191-L263 HydrophobicContact CD2-CD1 3.93Å; I226-L263 HydrophobicContact CG2-CB 4.34Å; I226-L263 HydrophobicContact CG2-CD1 3.62Å; G229-L263 VanDerWaalsContact C-CD2 3.47Å; L230-L263 HydrophobicContact CB-CD2 3.76Å; L230-L263 HydrophobicContact CD1-CD2 4.06Å; L230-L263 VanDerWaalsContact N-CD2 3.34Å; L255-L263 HydrophobicContact CB-CD1 4.38Å; L255-L263 HydrophobicContact CD2-CD1 4.39Å; G256-L263 CarbonylContact O-C 3.59Å; G256-L263 WeakPolarHBondContact O-CD1 3.35Å; L263-M265 HydrophobicContact CD2-SD 4.3Å
264	K	95.3	Very high	91.7	Very high	22 Å²	22	31.2 Å²	31.2	10%	0.096	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	131.6	167.2	-67.4	-68.2	-178.5	168.1	0	111.2	E168 H169 T170 P171 E184 V186 G256 V266	E168-K264 WeakPolarHBondContact O-CD 3.38Å; E168-K264 WeakPolarHBondContact O-CE 3.38Å; E168-K264 PolarHBondContact O-NZ 3.41Å; H169-K264 CarbonylContact O-C 3.53Å; H169-K264 WeakPolarHBondContact O-CA 3.44Å; T170-K264 PolarHBondContact O-NZ 2.88Å; P171-K264 HydrophobicContact CG-CB 4.49Å; E184-K264 IonicContact OE1-NZ 3.24Å; E184-K264 PolarHBondContact OE1-NZ 2.82Å; V186-K264 HydrophobicContact CB-CB 4.49Å; V186-K264 HydrophobicContact CG1-CB 3.85Å; V186-K264 HydrophobicContact CG1-CG 4.26Å; V186-K264 HydrophobicContact CG2-CB 3.74Å; V186-K264 HydrophobicContact CG2-CG 4.14Å; G256-K264 PolarHBondContact N-O 2.89Å; G256-K264 PolarHBondContact O-N 2.96Å; K264-V266 PolarHBondContact O-N 2.91Å
265	M	94.1	Very high	91.7	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	97.4	173.6	-63.4	-58.7	-58.7	0	0	110.1	H169 P171 F233 L255 L263 M268 I271	H169-M265 WeakPolarHBondContact O-CG 3.4Å; H169-M265 PolarHBondContact O-N 2.94Å; P171-M265 WeakPolarHBondContact CD-O 3.47Å; P171-M265 WeakPolarHBondContact CG-O 3.39Å; F233-M265 HydrophobicContact CD1-CE 3.99Å; F233-M265 HydrophobicContact CD1-CG 4.27Å; F233-M265 HydrophobicContact CD1-SD 3.63Å; F233-M265 HydrophobicContact CD2-CG 3.71Å; F233-M265 HydrophobicContact CD2-SD 4.15Å; F233-M265 HydrophobicContact CE1-CE 3.42Å; F233-M265 VanDerWaalsContact CE1-CE 3.42Å; F233-M265 HydrophobicContact CE1-CG 4.16Å; F233-M265 HydrophobicContact CE1-SD 3.67Å; F233-M265 HydrophobicContact CE2-CE 4.41Å; F233-M265 HydrophobicContact CE2-CG 3.56Å; F233-M265 HydrophobicContact CE2-SD 4.17Å; F233-M265 HydrophobicContact CG-CG 4.04Å; F233-M265 HydrophobicContact CG-SD 3.86Å; F233-M265 HydrophobicContact CZ-CE 3.65Å; F233-M265 HydrophobicContact CZ-CG 3.78Å; F233-M265 HydrophobicContact CZ-SD 3.92Å; L255-M265 HydrophobicContact CD2-CE 3.53Å; L255-M265 HydrophobicContact CD2-SD 3.18Å; L255-M265 WeakPolarHBondContact CD2-SD 3.48Å; L263-M265 HydrophobicContact CD2-SD 4.3Å; M265-M268 HydrophobicContact CB-CG 3.68Å; M265-M268 HydrophobicContact CB-SD 3.81Å; M265-M268 HydrophobicContact CE-CG 4.33Å; M265-M268 HydrophobicContact CG-CG 4.43Å; M265-M268 HydrophobicContact CG-SD 4.31Å; M265-I271 HydrophobicContact CE-CD1 4Å
266	V	90.9	Very high	91.5	Very high	17 Å²	17	34.4 Å²	34.4	10%	0.103	16%	0.164	C	C	.	.	S	Bend	trans	-73	-32.9	-175.1	179.5	0	0	0	0	112	K68 V186 N254 K264	K68-V266 PolarHBondContact NZ-O 3.37Å; V186-V266 HydrophobicContact CB-CG2 4.3Å; V186-V266 HydrophobicContact CG1-CG2 4.17Å; V186-V266 HydrophobicContact CG2-CG2 4.33Å; N254-V266 PolarHBondContact O-N 3.42Å; K264-V266 PolarHBondContact O-N 2.91Å
267	D	89.1	Confident	91.2	Very high	22 Å²	22	34.6 Å²	34.6	12%	0.118	17%	0.165	C	C	.	.			trans	-142.9	112.5	-179.3	-178	-3.3	0	0	0	110.8	N254 R269	N254-D267 HydrophobicContact CB-CB 4.41Å; N254-D267 PolarHBondContact O-N 2.87Å; D267-R269 WeakPolarHBondContact OD1-CB 3.32Å; D267-R269 VanDerWaalsContact OD1-CG 3.27Å; D267-R269 WeakPolarHBondContact OD1-CG 3.3Å; D267-R269 IonicContact OD1-CZ 2.82Å; D267-R269 PolarHBondContact OD1-N 2.95Å; D267-R269 IonicContact OD1-NE 2.68Å; D267-R269 PolarHBondContact OD1-NE 3.37Å; D267-R269 IonicContact OD1-NH2 3.78Å; D267-R269 IonicContact OD2-CZ 2.7Å; D267-R269 IonicContact OD2-NE 2.63Å; D267-R269 PolarHBondContact OD2-NE 2.93Å; D267-R269 IonicContact OD2-NH2 3.12Å; D267-R269 PolarHBondContact OD2-NH2 3.2Å
268	M	92.1	Very high	91	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	17%	0.174	C	C	.	.			trans	-108	9.5	-179.7	-63.5	-173.7	-73.6	0	0	113.5	E157 L160 M161 T170 F233 M265 K270 I271	E157-M268 HydrophobicContact CB-CB 4.32Å; E157-M268 HydrophobicContact CG-CB 4.17Å; E157-M268 PolarHBondContact OE1-N 3.46Å; L160-M268 HydrophobicContact CB-CE 4.12Å; L160-M268 HydrophobicContact CB-SD 4.05Å; L160-M268 HydrophobicContact CD1-CB 4.06Å; M161-M268 HydrophobicContact CB-CE 4.43Å; M161-M268 HydrophobicContact CG-CE 3.47Å; M161-M268 VanDerWaalsContact CG-CE 3.47Å; T170-M268 HydrophobicContact CG2-CE 4.05Å; F233-M268 HydrophobicContact CE2-SD 4.26Å; F233-M268 HydrophobicContact CZ-SD 4.35Å; M265-M268 HydrophobicContact CB-CG 3.68Å; M265-M268 HydrophobicContact CB-SD 3.81Å; M265-M268 HydrophobicContact CE-CG 4.33Å; M265-M268 HydrophobicContact CG-CG 4.43Å; M265-M268 HydrophobicContact CG-SD 4.31Å; M268-K270 PolarHBondContact O-N 3.39Å; M268-K270 VanDerWaalsContact O-N 3.11Å; M268-I271 HydrophobicContact CB-CD1 3.99Å; M268-I271 HydrophobicContact CB-CG1 4.42Å; M268-I271 HydrophobicContact CG-CD1 3.98Å; M268-I271 WeakPolarHBondContact O-CB 3.43Å; M268-I271 PolarHBondContact O-N 2.96Å
269	R	88	Confident	90.8	Very high	78 Å²	78	41.6 Å²	41.6	29%	0.294	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-28.4	-172.4	-66.1	175.7	-67	-171.7	-4.3	114.2	N53 E157 D267 I271	N53-R269 PolarHBondContact ND2-NH1 3.49Å; N53-R269 VanDerWaalsContact ND2-NH1 3.17Å; E157-R269 HydrophobicContact CB-CG 3.85Å; E157-R269 HydrophobicContact CG-CG 4.39Å; E157-R269 WeakPolarHBondContact OE2-CD 3.48Å; E157-R269 WeakPolarHBondContact OE2-CG 3.32Å; D267-R269 WeakPolarHBondContact OD1-CB 3.32Å; D267-R269 VanDerWaalsContact OD1-CG 3.27Å; D267-R269 WeakPolarHBondContact OD1-CG 3.3Å; D267-R269 IonicContact OD1-CZ 2.82Å; D267-R269 PolarHBondContact OD1-N 2.95Å; D267-R269 IonicContact OD1-NE 2.68Å; D267-R269 PolarHBondContact OD1-NE 3.37Å; D267-R269 IonicContact OD1-NH2 3.78Å; D267-R269 IonicContact OD2-CZ 2.7Å; D267-R269 IonicContact OD2-NE 2.63Å; D267-R269 PolarHBondContact OD2-NE 2.93Å; D267-R269 IonicContact OD2-NH2 3.12Å; D267-R269 PolarHBondContact OD2-NH2 3.2Å; R269-I271 VanDerWaalsContact C-N 3.31Å
270	K	89.1	Confident	90.7	Very high	85 Å²	85	41 Å²	41	37%	0.37	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	7	-178	-63.5	-65.1	-162.5	142.9	0	113	C248 D249 M268	C248-K270 WeakPolarHBondContact CA-O 3.47Å; C248-K270 VanDerWaalsContact CB-O 3.31Å; C248-K270 WeakPolarHBondContact CB-O 3.07Å; C248-K270 PolarHBondContact N-O 2.97Å; C248-K270 WeakPolarHBondContact O-CB 3.31Å; D249-K270 HydrophobicContact CB-CB 4.03Å; D249-K270 HydrophobicContact CB-CD 4.33Å; D249-K270 HydrophobicContact CB-CG 3.95Å; D249-K270 WeakPolarHBondContact OD2-CD 3.24Å; D249-K270 VanDerWaalsContact OD2-CE 3.3Å; D249-K270 WeakPolarHBondContact OD2-CE 3.3Å; D249-K270 IonicContact OD2-NZ 3.71Å; D249-K270 PolarHBondContact OD2-NZ 3.12Å; M268-K270 PolarHBondContact O-N 3.39Å; M268-K270 VanDerWaalsContact O-N 3.11Å
271	I	92.7	Very high	90.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	118.5	168.5	-54.5	-176.7	0	0	0	107.1	N156 L160 F233 F245 L246 M247 M265 M268 R269	N156-I271 WeakPolarHBondContact CB-O 3.22Å; N156-I271 PolarHBondContact ND2-O 3.38Å; L160-I271 HydrophobicContact CD1-CB 3.53Å; L160-I271 HydrophobicContact CD1-CD1 4.47Å; L160-I271 HydrophobicContact CD1-CG2 3.54Å; L160-I271 HydrophobicContact CD2-CG2 4.49Å; F233-I271 HydrophobicContact CE1-CD1 3.71Å; F233-I271 HydrophobicContact CZ-CD1 3.42Å; F233-I271 VanDerWaalsContact CZ-CD1 3.42Å; F245-I271 HydrophobicContact CB-CG2 3.75Å; L246-I271 VanDerWaalsContact O-CA 3.3Å; L246-I271 WeakPolarHBondContact O-CA 3.31Å; M247-I271 HydrophobicContact CG-CD1 4.25Å; M247-I271 HydrophobicContact CG-CG1 4.3Å; M265-I271 HydrophobicContact CE-CD1 4Å; M268-I271 HydrophobicContact CB-CD1 3.99Å; M268-I271 HydrophobicContact CB-CG1 4.42Å; M268-I271 HydrophobicContact CG-CD1 3.98Å; M268-I271 WeakPolarHBondContact O-CB 3.43Å; M268-I271 PolarHBondContact O-N 2.96Å; R269-I271 VanDerWaalsContact C-N 3.31Å
272	V	91.5	Very high	90.3	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.03	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	142.1	-169.4	-60.3	0	0	0	0	110.5	F245 L246 E274 L277 Y294	F245-V272 CarbonylContact C-O 3.56Å; F245-V272 WeakPolarHBondContact CA-O 3.43Å; L246-V272 HydrophobicContact CB-CG2 4.23Å; L246-V272 PolarHBondContact N-O 3.08Å; L246-V272 PolarHBondContact O-N 3.22Å; V272-E274 PolarHBondContact O-N 3.38Å; V272-L277 HydrophobicContact CG2-CB 4.18Å; V272-L277 HydrophobicContact CG2-CD1 3.94Å; V272-Y294 HydrophobicContact CG1-CE1 3.91Å; V272-Y294 HydrophobicContact CG2-CE1 4.32Å
273	P	91.9	Very high	89.9	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.013	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	137.3	171.5	-22.5	32.5	0	0	0	111.2	K115 L116 F245 T275 N276 L277	K115-P273 WeakPolarHBondContact O-CB 3.3Å; K115-P273 WeakPolarHBondContact O-CG 3.25Å; L116-P273 HydrophobicContact CD2-CB 3.87Å; L116-P273 HydrophobicContact CD2-CG 3.71Å; F245-P273 HydrophobicContact CD1-CB 4.41Å; F245-P273 HydrophobicContact CD1-CG 4.07Å; F245-P273 HydrophobicContact CE1-CB 4.38Å; F245-P273 HydrophobicContact CE1-CG 3.83Å; P273-T275 VanDerWaalsContact C-N 3.3Å; P273-T275 PolarHBondContact O-N 3Å; P273-N276 HydrophobicContact CB-CB 4.21Å; P273-N276 PolarHBondContact O-N 3.23Å; P273-L277 PolarHBondContact O-N 3.46Å; P273-L277 VanDerWaalsContact O-N 3.12Å
274	E	90.9	Very high	89.7	Confident	30 Å²	30	44.7 Å²	44.7	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-59.3	-43.1	-179.9	-171.2	-177.2	158.1	0	0	111.3	N244 L246 V272 N276 L277 K278 V313	N244-E274 HydrophobicContact CB-CB 4.06Å; N244-E274 WeakPolarHBondContact CB-OE2 3.4Å; N244-E274 PolarHBondContact ND2-OE2 3.04Å; N244-E274 WeakPolarHBondContact O-CB 3.41Å; N244-E274 PolarHBondContact O-N 2.93Å; L246-E274 HydrophobicContact CD1-CB 4.34Å; L246-E274 HydrophobicContact CD1-CG 4.09Å; L246-E274 HydrophobicContact CG-CB 4.22Å; L246-E274 HydrophobicContact CG-CG 4.3Å; V272-E274 PolarHBondContact O-N 3.38Å; E274-N276 VanDerWaalsContact C-N 3.34Å; E274-N276 PolarHBondContact O-N 3.4Å; E274-L277 PolarHBondContact O-N 3.35Å; E274-K278 HydrophobicContact CG-CD 4.15Å; E274-K278 VanDerWaalsContact O-CG 3.3Å; E274-K278 WeakPolarHBondContact O-CG 3.3Å; E274-K278 PolarHBondContact O-N 3.36Å; E274-K278 WeakPolarHBondContact OE1-CE 3.4Å; E274-K278 IonicContact OE1-NZ 3.36Å; E274-K278 PolarHBondContact OE1-NZ 3.04Å; E274-V313 HydrophobicContact CG-CG2 4.38Å
275	T	88.8	Confident	89.6	Confident	48 Å²	48	50 Å²	50	29%	0.294	23%	0.233	S	C	.	.	H	α-helix	trans	-56.2	-45.3	177	-50.3	0	0	0	0	112.2	L116 P273 K278 E279	L116-T275 PolarHBondContact O-OG1 3.33Å; L116-T275 VanDerWaalsContact O-OG1 3.11Å; P273-T275 VanDerWaalsContact C-N 3.3Å; P273-T275 PolarHBondContact O-N 3Å; T275-K278 WeakPolarHBondContact O-CB 3.39Å; T275-K278 PolarHBondContact O-N 2.87Å; T275-E279 PolarHBondContact O-N 3.38Å; T275-E279 VanDerWaalsContact O-N 3.08Å
276	N	87.9	Confident	89.6	Confident	35 Å²	35	50 Å²	50	19%	0.187	23%	0.234	C	C	.	.	H	α-helix	trans	-65.2	-42.7	177.8	-81.3	-2.4	0	0	0	112.7	A114 K115 P273 E274 K278 E279 L280	A114-N276 PolarHBondContact O-OD1 2.93Å; A114-N276 VanDerWaalsContact O-OD1 3.06Å; K115-N276 WeakPolarHBondContact CA-OD1 3.41Å; K115-N276 PolarHBondContact O-ND2 3.5Å; K115-N276 PolarHBondContact O-OD1 3.28Å; P273-N276 HydrophobicContact CB-CB 4.21Å; P273-N276 PolarHBondContact O-N 3.23Å; E274-N276 VanDerWaalsContact C-N 3.34Å; E274-N276 PolarHBondContact O-N 3.4Å; N276-K278 VanDerWaalsContact C-N 3.3Å; N276-K278 PolarHBondContact O-N 2.72Å; N276-E279 PolarHBondContact O-N 3.43Å; N276-L280 WeakPolarHBondContact O-CB 3.49Å; N276-L280 VanDerWaalsContact O-CG 3.22Å; N276-L280 WeakPolarHBondContact O-CG 3.3Å; N276-L280 PolarHBondContact O-N 2.64Å
277	L	88	Confident	89.7	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-42.4	178.3	178.8	142	0	0	0	110.8	L246 V272 P273 E274 E279 L280 I281 Y294 C298 T300 V313	L246-L277 HydrophobicContact CD1-CB 4.3Å; L246-L277 HydrophobicContact CD1-CD1 3.88Å; L246-L277 HydrophobicContact CD1-CD2 3.96Å; L246-L277 HydrophobicContact CD1-CG 4.27Å; V272-L277 HydrophobicContact CG2-CB 4.18Å; V272-L277 HydrophobicContact CG2-CD1 3.94Å; P273-L277 PolarHBondContact O-N 3.46Å; P273-L277 VanDerWaalsContact O-N 3.12Å; E274-L277 PolarHBondContact O-N 3.35Å; L277-E279 PolarHBondContact O-N 2.85Å; L277-L280 PolarHBondContact O-N 3.49Å; L277-I281 HydrophobicContact CD1-CD1 4.24Å; L277-I281 HydrophobicContact CD2-CD1 3.56Å; L277-I281 HydrophobicContact CD2-CG1 4.47Å; L277-I281 HydrophobicContact CG-CD1 3.71Å; L277-I281 HydrophobicContact CG-CG1 4.38Å; L277-I281 WeakPolarHBondContact O-CG1 3.24Å; L277-I281 PolarHBondContact O-N 3.42Å; L277-Y294 HydrophobicContact CD1-CD1 3.88Å; L277-Y294 HydrophobicContact CD1-CG 3.99Å; L277-C298 HydrophobicContact CD1-CB 3.8Å; L277-T300 HydrophobicContact CD2-CG2 4.22Å; L277-V313 HydrophobicContact CD2-CG2 4.2Å
278	K	88.3	Confident	89.8	Confident	63 Å²	63	56.7 Å²	56.7	27%	0.274	27%	0.267	S	S	.	.	H	α-helix	trans	-56.7	-50.9	176	-74.5	173.3	161.9	168.5	0	111.1	E274 T275 N276 L280 I281 K282 S311	E274-K278 HydrophobicContact CG-CD 4.15Å; E274-K278 VanDerWaalsContact O-CG 3.3Å; E274-K278 WeakPolarHBondContact O-CG 3.3Å; E274-K278 PolarHBondContact O-N 3.36Å; E274-K278 WeakPolarHBondContact OE1-CE 3.4Å; E274-K278 IonicContact OE1-NZ 3.36Å; E274-K278 PolarHBondContact OE1-NZ 3.04Å; T275-K278 WeakPolarHBondContact O-CB 3.39Å; T275-K278 PolarHBondContact O-N 2.87Å; N276-K278 VanDerWaalsContact C-N 3.3Å; N276-K278 PolarHBondContact O-N 2.72Å; K278-L280 VanDerWaalsContact C-N 3.31Å; K278-L280 PolarHBondContact O-N 2.99Å; K278-I281 PolarHBondContact O-N 2.99Å; K278-K282 WeakPolarHBondContact O-CB 3.19Å; K278-K282 PolarHBondContact O-N 2.95Å; K278-S311 WeakPolarHBondContact CE-O 3.23Å; K278-S311 WeakPolarHBondContact CG-O 3.45Å
279	E	87.4	Confident	89.6	Confident	130 Å²	130	60.1 Å²	60.1	61%	0.607	29%	0.286	S	S	*	.	H	α-helix	trans	-65.2	-32.3	178.9	-68.4	-59.9	125.4	0	0	113.2	T275 N276 L277	T275-E279 PolarHBondContact O-N 3.38Å; T275-E279 VanDerWaalsContact O-N 3.08Å; N276-E279 PolarHBondContact O-N 3.43Å; L277-E279 PolarHBondContact O-N 2.85Å
280	L	86	Confident	89.7	Confident	89 Å²	89	62.1 Å²	62.1	47%	0.466	30%	0.302	S	S	.	.	H	α-helix	trans	-75.4	-31.1	179.5	-74.5	171.6	0	0	0	114.2	N276 L277 K278 R284 Y294	N276-L280 WeakPolarHBondContact O-CB 3.49Å; N276-L280 VanDerWaalsContact O-CG 3.22Å; N276-L280 WeakPolarHBondContact O-CG 3.3Å; N276-L280 PolarHBondContact O-N 2.64Å; L277-L280 PolarHBondContact O-N 3.49Å; K278-L280 VanDerWaalsContact C-N 3.31Å; K278-L280 PolarHBondContact O-N 2.99Å; L280-R284 VanDerWaalsContact O-CZ 3.3Å; L280-R284 PolarHBondContact O-NE 3.39Å; L280-R284 PolarHBondContact O-NH2 3.18Å; L280-R284 VanDerWaalsContact O-NH2 3.09Å; L280-Y294 HydrophobicContact CD1-CE2 4.05Å
281	I	88.6	Confident	89.7	Confident	1 Å²	1	62 Å²	62	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-96	-33.6	-176.2	-65.9	178.7	0	0	0	111.8	L277 K278 D283 R284 T300 C309	L277-I281 HydrophobicContact CD1-CD1 4.24Å; L277-I281 HydrophobicContact CD2-CD1 3.56Å; L277-I281 HydrophobicContact CD2-CG1 4.47Å; L277-I281 HydrophobicContact CG-CD1 3.71Å; L277-I281 HydrophobicContact CG-CG1 4.38Å; L277-I281 WeakPolarHBondContact O-CG1 3.24Å; L277-I281 PolarHBondContact O-N 3.42Å; K278-I281 PolarHBondContact O-N 2.99Å; I281-D283 PolarHBondContact O-N 2.97Å; I281-R284 VanDerWaalsContact O-CB 3.28Å; I281-R284 WeakPolarHBondContact O-CB 3.22Å; I281-R284 VanDerWaalsContact O-CG 3.25Å; I281-R284 WeakPolarHBondContact O-CG 3.16Å; I281-R284 PolarHBondContact O-N 3.1Å; I281-R284 VanDerWaalsContact O-N 3.16Å; I281-T300 HydrophobicContact CD1-CG2 4.04Å; I281-T300 HydrophobicContact CG2-CG2 4.22Å; I281-T300 WeakPolarHBondContact CG2-OG1 3.42Å; I281-C309 HydrophobicContact CG2-CB 3.57Å
282	K	86.5	Confident	89.6	Confident	102 Å²	102	62 Å²	62	44%	0.443	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	141.6	-178.2	-179.7	-172.9	171	-170.5	0	110.6	K278 R284	K278-K282 WeakPolarHBondContact O-CB 3.19Å; K278-K282 PolarHBondContact O-N 2.95Å; K282-R284 PolarHBondContact O-N 3.01Å; K282-R284 VanDerWaalsContact O-N 3.11Å
283	D	85.8	Confident	89.6	Confident	84 Å²	84	63.5 Å²	63.5	45%	0.449	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	1.4	178.8	-66.9	-63.2	0	0	0	116	I281 H285 K308 C309	I281-D283 PolarHBondContact O-N 2.97Å; D283-H285 PolarHBondContact O-N 3.16Å; D283-K308 HydrophobicContact CB-CD 4.49Å; D283-K308 WeakPolarHBondContact OD1-CD 3.24Å; D283-K308 IonicContact OD1-NZ 2.74Å; D283-K308 PolarHBondContact OD1-NZ 3.29Å; D283-C309 PolarHBondContact N-O 3.13Å
284	R	90.6	Very high	89.4	Confident	117 Å²	117	66.4 Å²	66.4	44%	0.442	33%	0.326	S	S	.	.			trans	-63.4	135.6	167.8	-71.4	-177.2	-175	-159.4	-3.6	110.1	L280 I281 K282 K308 C309	L280-R284 VanDerWaalsContact O-CZ 3.3Å; L280-R284 PolarHBondContact O-NE 3.39Å; L280-R284 PolarHBondContact O-NH2 3.18Å; L280-R284 VanDerWaalsContact O-NH2 3.09Å; I281-R284 VanDerWaalsContact O-CB 3.28Å; I281-R284 WeakPolarHBondContact O-CB 3.22Å; I281-R284 VanDerWaalsContact O-CG 3.25Å; I281-R284 WeakPolarHBondContact O-CG 3.16Å; I281-R284 PolarHBondContact O-N 3.1Å; I281-R284 VanDerWaalsContact O-N 3.16Å; K282-R284 PolarHBondContact O-N 3.01Å; K282-R284 VanDerWaalsContact O-N 3.11Å; R284-K308 CarbonylContact O-C 3.57Å; R284-K308 VanDerWaalsContact O-CA 3.25Å; R284-K308 WeakPolarHBondContact O-CA 3.25Å; R284-C309 HydrophobicContact CB-CB 4.38Å; R284-C309 PolarHBondContact O-N 3.27Å
285	H	92.9	Very high	89.1	Confident	134 Å²	134	67.1 Å²	67.1	62%	0.62	34%	0.341	S	S	*	.	B	Isolated β-bridge	trans	-65.1	136.9	174.2	-174.8	56.5	0	0	0	110.9	D283 M307	D283-H285 PolarHBondContact O-N 3.16Å; H285-M307 WeakPolarHBondContact CA-O 3.12Å; H285-M307 PolarHBondContact ND1-O 3.42Å
286	C	94.6	Very high	89	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.014	36%	0.357	C	S	.	.			trans	-144.3	149.7	177.4	59.8	0	0	0	0	110.8	D291 C292 C302 M307 K308 C309	C286-D291 HydrophobicContact CB-CB 3.88Å; C286-C292 WeakPolarHBondContact CB-SG 3.27Å; C286-C302 VanDerWaalsContact C-SG 3.51Å; C286-C302 HydrophobicContact CB-CB 3.86Å; C286-C302 WeakPolarHBondContact CB-SG 3.01Å; C286-C302 PolarHBondContact O-SG 3.31Å; C286-C302 VanDerWaalsContact O-SG 3.4Å; C286-C302 WeakPolarHBondContact SG-CA 3.17Å; C286-C302 WeakPolarHBondContact SG-CB 3.47Å; C286-C302 CovalentContact SG-SG 2.03Å; C286-C302 PolarHBondContact SG-SG 3.33Å; C286-M307 PolarHBondContact N-O 2.99Å; C286-M307 CarbonylContact O-C 3.55Å; C286-M307 WeakPolarHBondContact O-CE 3.46Å; C286-K308 PolarHBondContact SG-O 2.79Å; C286-C309 PolarHBondContact SG-N 2.86Å; C286-C309 VanDerWaalsContact SG-N 3.38Å
287	E	92.6	Very high	89	Confident	137 Å²	137	69.5 Å²	69.5	64%	0.64	36%	0.355	S	S	*	.	S	Bend	trans	-102.9	-28.8	167.9	-62	-176.4	174.3	0	0	110.7	D291 Q304 M307	E287-D291 PolarHBondContact N-OD2 3.27Å; E287-Q304 PolarHBondContact O-NE2 2.78Å; E287-M307 HydrophobicContact CB-CE 4.25Å; E287-M307 HydrophobicContact CG-CE 3.97Å
288	S	91.3	Very high	89.1	Confident	41 Å²	41	69.5 Å²	69.5	29%	0.287	36%	0.356	S	S	.	.	S	Bend	trans	-143.5	164	179.9	73.9	0	0	0	0	112.2	L290 D291 C302	S288-L290 PolarHBondContact O-N 2.84Å; S288-L290 PolarHBondContact OG-N 2.85Å; S288-D291 PolarHBondContact N-OD2 3.15Å; S288-D291 WeakPolarHBondContact O-CB 3.35Å; S288-D291 PolarHBondContact O-N 3.49Å; S288-D291 PolarHBondContact OG-OD2 3.48Å; S288-C302 VanDerWaalsContact C-CB 3.49Å
289	D	88.5	Confident	89.1	Confident	75 Å²	75	71.6 Å²	71.6	40%	0.401	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.6	173.6	-64.2	-12.6	0	0	0	113.1	D291 C292 C302 I314	D289-D291 VanDerWaalsContact C-N 3.26Å; D289-D291 PolarHBondContact O-N 2.89Å; D289-C292 PolarHBondContact O-N 3.11Å; D289-C302 PolarHBondContact OD1-N 2.74Å; D289-I314 HydrophobicContact CB-CD1 4.37Å
290	L	88.8	Confident	89.3	Confident	119 Å²	119	65.4 Å²	65.4	62%	0.623	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.8	178.1	-61	176.8	0	0	0	113	S288 V293	S288-L290 PolarHBondContact O-N 2.84Å; S288-L290 PolarHBondContact OG-N 2.85Å; L290-V293 VanDerWaalsContact O-CG2 3.26Å; L290-V293 WeakPolarHBondContact O-CG2 3.29Å
291	D	89.8	Confident	89.5	Confident	84 Å²	84	62.5 Å²	62.5	45%	0.449	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-22.1	177.6	-52.5	-40.7	0	0	0	111.3	C286 E287 S288 D289 V293	C286-D291 HydrophobicContact CB-CB 3.88Å; E287-D291 PolarHBondContact N-OD2 3.27Å; S288-D291 PolarHBondContact N-OD2 3.15Å; S288-D291 WeakPolarHBondContact O-CB 3.35Å; S288-D291 PolarHBondContact O-N 3.49Å; S288-D291 PolarHBondContact OG-OD2 3.48Å; D289-D291 VanDerWaalsContact C-N 3.26Å; D289-D291 PolarHBondContact O-N 2.89Å; D291-V293 VanDerWaalsContact C-N 3.29Å; D291-V293 PolarHBondContact O-N 3.03Å; D291-V293 VanDerWaalsContact O-N 3.08Å
292	C	91.3	Very high	89.7	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.323	C	S	.	.	S	Bend	trans	-88.7	59.1	-177.5	-60.8	0	0	0	0	112.1	C286 D289 R299 T300 C309	C286-C292 WeakPolarHBondContact CB-SG 3.27Å; D289-C292 PolarHBondContact O-N 3.11Å; C292-R299 WeakPolarHBondContact O-CA 3.47Å; C292-T300 WeakPolarHBondContact CB-O 3.04Å; C292-T300 WeakPolarHBondContact CB-OG1 3.12Å; C292-T300 PolarHBondContact O-N 3.27Å; C292-C309 WeakPolarHBondContact CA-SG 3.47Å; C292-C309 HydrophobicContact CB-CB 3.81Å; C292-C309 WeakPolarHBondContact CB-SG 3.3Å; C292-C309 WeakPolarHBondContact SG-CA 3.39Å; C292-C309 WeakPolarHBondContact SG-CB 3.46Å; C292-C309 CovalentContact SG-SG 2.04Å; C292-C309 PolarHBondContact SG-SG 2.03Å
293	V	90.8	Very high	90	Very high	38 Å²	38	60.7 Å²	60.7	23%	0.23	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.1	-176	-173.6	0	0	0	0	111.8	L290 D291 C298 R299	L290-V293 VanDerWaalsContact O-CG2 3.26Å; L290-V293 WeakPolarHBondContact O-CG2 3.29Å; D291-V293 VanDerWaalsContact C-N 3.29Å; D291-V293 PolarHBondContact O-N 3.03Å; D291-V293 VanDerWaalsContact O-N 3.08Å; V293-C298 CarbonylContact C-O 3.51Å; V293-C298 WeakPolarHBondContact CA-O 3.28Å; V293-R299 HydrophobicContact CG1-CG 4.49Å; V293-R299 HydrophobicContact CG2-CG 4.01Å
294	Y	88.2	Confident	90.3	Very high	63 Å²	63	62.3 Å²	62.3	25%	0.247	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.2	166.7	179.7	-89.3	0	0	0	110.3	C248 V272 L277 L280 T296 C298	C248-Y294 HydrophobicContact CB-CD1 4.38Å; V272-Y294 HydrophobicContact CG1-CE1 3.91Å; V272-Y294 HydrophobicContact CG2-CE1 4.32Å; L277-Y294 HydrophobicContact CD1-CD1 3.88Å; L277-Y294 HydrophobicContact CD1-CG 3.99Å; L280-Y294 HydrophobicContact CD1-CE2 4.05Å; Y294-T296 PolarHBondContact O-N 2.84Å; Y294-C298 PolarHBondContact N-O 2.59Å; Y294-C298 WeakPolarHBondContact O-CB 3.49Å; Y294-C298 PolarHBondContact O-N 3.41Å
295	G	85	Confident	90.4	Very high	45 Å²	45	61.5 Å²	61.5	46%	0.464	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	68	-120.2	-170.5	0	0	0	0	0	110.5	D249	D249-G295 WeakPolarHBondContact OD1-CA 3.31Å
296	T	85.6	Confident	90.4	Very high	102 Å²	102	58.7 Å²	58.7	63%	0.626	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	-21.6	-177.8	61.2	0	0	0	0	113.2	D249 Y294	D249-T296 WeakPolarHBondContact OD1-CA 3.39Å; D249-T296 VanDerWaalsContact OD1-CB 3.29Å; D249-T296 WeakPolarHBondContact OD1-CB 3.5Å; D249-T296 WeakPolarHBondContact OD1-CG2 3.27Å; D249-T296 PolarHBondContact OD1-N 3.28Å; D249-T296 PolarHBondContact OD1-OG1 2.86Å; Y294-T296 PolarHBondContact O-N 2.84Å
297	D	88	Confident	90.4	Very high	30 Å²	30	61.7 Å²	61.7	16%	0.16	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.1	-9.2	-165	73.5	-24.1	0	0	0	115.3	C248 D249 K320	C248-D297 VanDerWaalsContact CA-OD1 3.28Å; C248-D297 WeakPolarHBondContact CA-OD1 3.46Å; D249-D297 PolarHBondContact N-OD1 2.95Å; D297-K320 PolarHBondContact O-NZ 3.4Å; D297-K320 IonicContact OD1-NZ 2.8Å; D297-K320 PolarHBondContact OD1-NZ 2.76Å; D297-K320 WeakPolarHBondContact OD2-CD 3.44Å; D297-K320 WeakPolarHBondContact OD2-CE 3.45Å; D297-K320 IonicContact OD2-NZ 3.78Å; D297-K320 PolarHBondContact OD2-NZ 3.24Å
298	C	90.4	Very high	90.5	Very high	3 Å²	3	59 Å²	59	2%	0.02	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	112.1	173.1	-81.1	0	0	0	0	109.1	C248 L277 V293 Y294 K320	C248-C298 WeakPolarHBondContact CA-SG 3.49Å; C248-C298 HydrophobicContact CB-CB 3.98Å; C248-C298 WeakPolarHBondContact CB-SG 3.41Å; C248-C298 WeakPolarHBondContact SG-CB 3.44Å; C248-C298 CovalentContact SG-SG 2.03Å; C248-C298 PolarHBondContact SG-SG 2.68Å; L277-C298 HydrophobicContact CD1-CB 3.8Å; V293-C298 CarbonylContact C-O 3.51Å; V293-C298 WeakPolarHBondContact CA-O 3.28Å; Y294-C298 PolarHBondContact N-O 2.59Å; Y294-C298 WeakPolarHBondContact O-CB 3.49Å; Y294-C298 PolarHBondContact O-N 3.41Å; C298-K320 PolarHBondContact SG-NZ 3.45Å
299	R	89.3	Confident	90.6	Very high	107 Å²	107	57.2 Å²	57.2	40%	0.404	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142.8	-172.1	-48.6	-168.1	178	166.2	-1.9	112	C292 V293 I314	C292-R299 WeakPolarHBondContact O-CA 3.47Å; V293-R299 HydrophobicContact CG1-CG 4.49Å; V293-R299 HydrophobicContact CG2-CG 4.01Å; R299-I314 HydrophobicContact CB-CD1 4.38Å; R299-I314 PolarHBondContact O-N 3.29Å
300	T	90.6	Very high	90.7	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	170.9	166	69.8	0	0	0	0	110.7	L277 I281 C292 T310 E312 I314	L277-T300 HydrophobicContact CD2-CG2 4.22Å; I281-T300 HydrophobicContact CD1-CG2 4.04Å; I281-T300 HydrophobicContact CG2-CG2 4.22Å; I281-T300 WeakPolarHBondContact CG2-OG1 3.42Å; C292-T300 WeakPolarHBondContact CB-O 3.04Å; C292-T300 WeakPolarHBondContact CB-OG1 3.12Å; C292-T300 PolarHBondContact O-N 3.27Å; T300-T310 VanDerWaalsContact CB-O 3.23Å; T300-T310 WeakPolarHBondContact CB-O 3.49Å; T300-T310 PolarHBondContact OG1-O 3.4Å; T300-E312 WeakPolarHBondContact CA-O 3.29Å; T300-E312 VanDerWaalsContact CB-O 3.23Å; T300-E312 WeakPolarHBondContact CB-O 3.46Å; T300-I314 VanDerWaalsContact C-CD1 3.43Å; T300-I314 VanDerWaalsContact O-CD1 3.25Å; T300-I314 WeakPolarHBondContact O-CD1 3.27Å
301	S	90.5	Very high	90.5	Very high	28 Å²	28	52 Å²	52	20%	0.196	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	151.2	177.2	58	0	0	0	0	111.9	T310 E312	S301-T310 PolarHBondContact N-OG1 2.01Å; S301-T310 WeakPolarHBondContact O-CG2 3.07Å; S301-T310 PolarHBondContact O-N 3.35Å; S301-T310 PolarHBondContact O-OG1 2.82Å; S301-T310 VanDerWaalsContact O-OG1 3.14Å; S301-T310 WeakPolarHBondContact OG-CG2 3.01Å; S301-T310 PolarHBondContact OG-OG1 2.87Å; S301-E312 PolarHBondContact N-O 2.76Å
302	C	92.5	Very high	90.2	Very high	10 Å²	10	54.2 Å²	54.2	7%	0.068	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	120	171	-176.8	0	0	0	0	109.4	C286 S288 D289 Q304	C286-C302 VanDerWaalsContact C-SG 3.51Å; C286-C302 HydrophobicContact CB-CB 3.86Å; C286-C302 WeakPolarHBondContact CB-SG 3.01Å; C286-C302 PolarHBondContact O-SG 3.31Å; C286-C302 VanDerWaalsContact O-SG 3.4Å; C286-C302 WeakPolarHBondContact SG-CA 3.17Å; C286-C302 WeakPolarHBondContact SG-CB 3.47Å; C286-C302 CovalentContact SG-SG 2.03Å; C286-C302 PolarHBondContact SG-SG 3.33Å; S288-C302 VanDerWaalsContact C-CB 3.49Å; D289-C302 PolarHBondContact OD1-N 2.74Å; C302-Q304 PolarHBondContact O-N 3.26Å; C302-Q304 VanDerWaalsContact O-N 3.17Å
303	D	93.1	Very high	90	Very high	56 Å²	56	54.8 Å²	54.8	30%	0.299	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	104.1	170.5	175.4	10	0	0	0	109.2	S305 T306 M307 K308 T310	D303-S305 VanDerWaalsContact CG-OG 3.24Å; D303-S305 PolarHBondContact O-N 3.5Å; D303-S305 WeakPolarHBondContact OD1-CB 3.45Å; D303-S305 PolarHBondContact OD1-N 3.36Å; D303-S305 PolarHBondContact OD1-OG 2.88Å; D303-S305 PolarHBondContact OD2-OG 3.23Å; D303-S305 VanDerWaalsContact OD2-OG 3.12Å; D303-T306 WeakPolarHBondContact CB-OG1 3.44Å; D303-T306 PolarHBondContact O-N 3.44Å; D303-T306 WeakPolarHBondContact OD2-CG2 2.95Å; D303-T306 PolarHBondContact OD2-OG1 3.12Å; D303-M307 VanDerWaalsContact O-CA 3.28Å; D303-M307 WeakPolarHBondContact O-CA 3.41Å; D303-M307 PolarHBondContact O-N 3.45Å; D303-K308 WeakPolarHBondContact CB-O 3.46Å; D303-K308 PolarHBondContact N-O 2.81Å; D303-K308 PolarHBondContact O-N 2.98Å; D303-T310 HydrophobicContact CB-CG2 3.9Å
304	Q	91.4	Very high	89.7	Confident	117 Å²	117	55.2 Å²	55.2	55%	0.547	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.4	179.9	-65.3	-69.8	-39.8	0	0	113.2	E287 C302	E287-Q304 PolarHBondContact O-NE2 2.78Å; C302-Q304 PolarHBondContact O-N 3.26Å; C302-Q304 VanDerWaalsContact O-N 3.17Å
305	S	93.4	Very high	89.6	Confident	101 Å²	101	54.9 Å²	54.9	71%	0.706	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-35.8	179	72.8	0	0	0	0	112.3	D303	D303-S305 VanDerWaalsContact CG-OG 3.24Å; D303-S305 PolarHBondContact O-N 3.5Å; D303-S305 WeakPolarHBondContact OD1-CB 3.45Å; D303-S305 PolarHBondContact OD1-N 3.36Å; D303-S305 PolarHBondContact OD1-OG 2.88Å; D303-S305 PolarHBondContact OD2-OG 3.23Å; D303-S305 VanDerWaalsContact OD2-OG 3.12Å
306	T	93.4	Very high	89.8	Confident	75 Å²	75	53.4 Å²	53.4	46%	0.46	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-8.3	-179.7	58.3	0	0	0	0	113	D303 K308	D303-T306 WeakPolarHBondContact CB-OG1 3.44Å; D303-T306 PolarHBondContact O-N 3.44Å; D303-T306 WeakPolarHBondContact OD2-CG2 2.95Å; D303-T306 PolarHBondContact OD2-OG1 3.12Å; T306-K308 PolarHBondContact O-N 3.41Å
307	M	93.6	Very high	90.1	Very high	64 Å²	64	48.6 Å²	48.6	32%	0.315	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	41.1	-171.6	-61	-68.3	-72.6	0	0	111.6	H285 C286 E287 D303	H285-M307 WeakPolarHBondContact CA-O 3.12Å; H285-M307 PolarHBondContact ND1-O 3.42Å; C286-M307 PolarHBondContact N-O 2.99Å; C286-M307 CarbonylContact O-C 3.55Å; C286-M307 WeakPolarHBondContact O-CE 3.46Å; E287-M307 HydrophobicContact CB-CE 4.25Å; E287-M307 HydrophobicContact CG-CE 3.97Å; D303-M307 VanDerWaalsContact O-CA 3.28Å; D303-M307 WeakPolarHBondContact O-CA 3.41Å; D303-M307 PolarHBondContact O-N 3.45Å
308	K	94.4	Very high	90.3	Very high	80 Å²	80	47.1 Å²	47.1	35%	0.348	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.8	-175.4	-75.9	175.1	163.2	-161.6	0	112.2	D283 R284 C286 D303 T306 T310	D283-K308 HydrophobicContact CB-CD 4.49Å; D283-K308 WeakPolarHBondContact OD1-CD 3.24Å; D283-K308 IonicContact OD1-NZ 2.74Å; D283-K308 PolarHBondContact OD1-NZ 3.29Å; R284-K308 CarbonylContact O-C 3.57Å; R284-K308 VanDerWaalsContact O-CA 3.25Å; R284-K308 WeakPolarHBondContact O-CA 3.25Å; C286-K308 PolarHBondContact SG-O 2.79Å; D303-K308 WeakPolarHBondContact CB-O 3.46Å; D303-K308 PolarHBondContact N-O 2.81Å; D303-K308 PolarHBondContact O-N 2.98Å; T306-K308 PolarHBondContact O-N 3.41Å; K308-T310 PolarHBondContact O-N 3.09Å
309	C	93.3	Very high	90.4	Very high	5 Å²	5	47 Å²	47	3%	0.034	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	133.7	175	-62.7	0	0	0	0	111	I281 D283 R284 C286 C292	I281-C309 HydrophobicContact CG2-CB 3.57Å; D283-C309 PolarHBondContact N-O 3.13Å; R284-C309 HydrophobicContact CB-CB 4.38Å; R284-C309 PolarHBondContact O-N 3.27Å; C286-C309 PolarHBondContact SG-N 2.86Å; C286-C309 VanDerWaalsContact SG-N 3.38Å; C292-C309 WeakPolarHBondContact CA-SG 3.47Å; C292-C309 HydrophobicContact CB-CB 3.81Å; C292-C309 WeakPolarHBondContact CB-SG 3.3Å; C292-C309 WeakPolarHBondContact SG-CA 3.39Å; C292-C309 WeakPolarHBondContact SG-CB 3.46Å; C292-C309 CovalentContact SG-SG 2.04Å; C292-C309 PolarHBondContact SG-SG 2.03Å
310	T	90.7	Very high	90.6	Very high	32 Å²	32	42.7 Å²	42.7	20%	0.196	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	169.6	173.2	75.9	0	0	0	0	110.8	T300 S301 D303 K308 E312	T300-T310 VanDerWaalsContact CB-O 3.23Å; T300-T310 WeakPolarHBondContact CB-O 3.49Å; T300-T310 PolarHBondContact OG1-O 3.4Å; S301-T310 PolarHBondContact N-OG1 2.01Å; S301-T310 WeakPolarHBondContact O-CG2 3.07Å; S301-T310 PolarHBondContact O-N 3.35Å; S301-T310 PolarHBondContact O-OG1 2.82Å; S301-T310 VanDerWaalsContact O-OG1 3.14Å; S301-T310 WeakPolarHBondContact OG-CG2 3.01Å; S301-T310 PolarHBondContact OG-OG1 2.87Å; D303-T310 HydrophobicContact CB-CG2 3.9Å; K308-T310 PolarHBondContact O-N 3.09Å; T310-E312 VanDerWaalsContact C-N 3.32Å; T310-E312 PolarHBondContact OG1-N 3.13Å
311	S	86	Confident	90.7	Very high	52 Å²	52	42.7 Å²	42.7	36%	0.364	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	2.4	171.1	55.4	0	0	0	0	113.2	K278 V313	K278-S311 WeakPolarHBondContact CE-O 3.23Å; K278-S311 WeakPolarHBondContact CG-O 3.45Å; S311-V313 PolarHBondContact O-N 3.2Å
312	E	82.9	Confident	91	Very high	131 Å²	131	41.4 Å²	41.4	61%	0.612	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	109.7	-177.9	-64.8	-172.2	168.3	0	0	110.3	T300 S301 T310 I314	T300-E312 WeakPolarHBondContact CA-O 3.29Å; T300-E312 VanDerWaalsContact CB-O 3.23Å; T300-E312 WeakPolarHBondContact CB-O 3.46Å; S301-E312 PolarHBondContact N-O 2.76Å; T310-E312 VanDerWaalsContact C-N 3.32Å; T310-E312 PolarHBondContact OG1-N 3.13Å; E312-I314 PolarHBondContact O-N 3.02Å
313	V	86.4	Confident	91	Very high	11 Å²	11	45.5 Å²	45.5	7%	0.067	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	128.5	176.5	179.3	0	0	0	0	108.5	L246 E274 L277 S311 V353	L246-V313 HydrophobicContact CD1-CG1 4.26Å; L246-V313 HydrophobicContact CD1-CG2 3.74Å; L246-V313 HydrophobicContact CD2-CG1 4.24Å; E274-V313 HydrophobicContact CG-CG2 4.38Å; L277-V313 HydrophobicContact CD2-CG2 4.2Å; S311-V313 PolarHBondContact O-N 3.2Å; V313-V353 WeakPolarHBondContact O-CB 3.35Å; V313-V353 WeakPolarHBondContact O-CG1 3.23Å; V313-V353 WeakPolarHBondContact O-CG2 3.23Å
314	I	85.4	Confident	90.9	Very high	48 Å²	48	44 Å²	44	25%	0.246	23%	0.234	C	C	.	.	S	Bend	trans	-81	-34.8	-174.4	-64.5	171	0	0	0	112.7	D289 R299 T300 E312 K352 V353	D289-I314 HydrophobicContact CB-CD1 4.37Å; R299-I314 HydrophobicContact CB-CD1 4.38Å; R299-I314 PolarHBondContact O-N 3.29Å; T300-I314 VanDerWaalsContact C-CD1 3.43Å; T300-I314 VanDerWaalsContact O-CD1 3.25Å; T300-I314 WeakPolarHBondContact O-CD1 3.27Å; E312-I314 PolarHBondContact O-N 3.02Å; I314-K352 WeakPolarHBondContact O-CA 3.42Å; I314-V353 PolarHBondContact O-N 3.11Å
315	Q	85.2	Confident	91	Very high	56 Å²	56	38.6 Å²	38.6	26%	0.262	21%	0.208	S	C	.	.	S	Bend	trans	-122.6	125.2	-169.3	-169	175	28.3	0	0	111.6	A319 K320	Q315-A319 HydrophobicContact CG-CB 3.78Å; Q315-K320 HydrophobicContact CG-CG 4.34Å
316	P	89.8	Confident	91	Very high	13 Å²	13	35.5 Å²	35.5	8%	0.084	18%	0.182	C	C	.	.			trans	-78.1	160.9	179.2	32.1	-33.9	0	0	0	112.3	L318 A319 K320 L351 V353	P316-L318 VanDerWaalsContact C-N 3.26Å; P316-L318 PolarHBondContact O-N 3.19Å; P316-A319 HydrophobicContact CG-CB 3.96Å; P316-A319 PolarHBondContact O-N 3.19Å; P316-K320 PolarHBondContact O-N 2.84Å; P316-L351 WeakPolarHBondContact CD-O 3.24Å; P316-L351 HydrophobicContact CG-CB 3.9Å; P316-V353 HydrophobicContact CB-CG2 4.33Å
317	N	92.1	Very high	90.7	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-56.2	-39.7	176.8	-70.1	-16.6	0	0	0	112.8	V234 F245 L246 M247 A319 K320 A321	V234-N317 HydrophobicContact CG1-CB 3.9Å; V234-N317 HydrophobicContact CG2-CB 4.49Å; F245-N317 PolarHBondContact O-ND2 3.42Å; L246-N317 WeakPolarHBondContact CA-OD1 3.29Å; M247-N317 HydrophobicContact CG-CB 4.44Å; M247-N317 PolarHBondContact N-OD1 2.78Å; M247-N317 HydrophobicContact SD-CB 4.16Å; N317-A319 VanDerWaalsContact C-N 3.33Å; N317-A319 PolarHBondContact O-N 2.91Å; N317-K320 WeakPolarHBondContact O-CB 3.05Å; N317-K320 PolarHBondContact O-N 3.47Å; N317-K320 VanDerWaalsContact O-N 3.12Å; N317-A321 PolarHBondContact O-N 3.15Å
318	L	92.8	Very high	90.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-60.9	-40.7	-180	178	56.7	0	0	0	112.4	L231 V234 P316 K320 A321 C322 C348 L351 H362 I365 L366	L231-L318 HydrophobicContact CD2-CD1 3.68Å; V234-L318 HydrophobicContact CG1-CB 4.06Å; P316-L318 VanDerWaalsContact C-N 3.26Å; P316-L318 PolarHBondContact O-N 3.19Å; L318-K320 VanDerWaalsContact C-N 3.28Å; L318-K320 PolarHBondContact O-N 3.28Å; L318-A321 PolarHBondContact O-N 3.01Å; L318-C322 WeakPolarHBondContact O-CB 3.21Å; L318-C322 PolarHBondContact O-N 2.96Å; L318-C322 PolarHBondContact O-SG 2.96Å; L318-C322 VanDerWaalsContact O-SG 3.4Å; L318-C348 VanDerWaalsContact CG-SG 3.52Å; L318-C348 PolarHBondContact O-SG 3.39Å; L318-L351 HydrophobicContact CD2-CD1 3.93Å; L318-L351 HydrophobicContact CG-CD1 4.28Å; L318-H362 WeakPolarHBondContact CB-NE2 3.25Å; L318-H362 VanDerWaalsContact CD2-CD2 3.45Å; L318-H362 WeakPolarHBondContact CD2-CD2 3.45Å; L318-I365 HydrophobicContact CD2-CG2 4.4Å; L318-L366 HydrophobicContact CD1-CD1 3.65Å; L318-L366 HydrophobicContact CD2-CB 4.01Å; L318-L366 HydrophobicContact CD2-CD1 4.28Å
319	A	92.6	Very high	90.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-60.7	-40.4	175.8	0	0	0	0	0	111.5	Q315 P316 N317 Q323 C348 L351	Q315-A319 HydrophobicContact CG-CB 3.78Å; P316-A319 HydrophobicContact CG-CB 3.96Å; P316-A319 PolarHBondContact O-N 3.19Å; N317-A319 VanDerWaalsContact C-N 3.33Å; N317-A319 PolarHBondContact O-N 2.91Å; A319-Q323 WeakPolarHBondContact O-CB 3.46Å; A319-Q323 PolarHBondContact O-N 3.28Å; A319-C348 WeakPolarHBondContact CA-O 3.39Å; A319-C348 WeakPolarHBondContact CB-O 3.37Å; A319-L351 HydrophobicContact CB-CB 4.27Å
320	K	91.9	Very high	90.3	Very high	16 Å²	16	30 Å²	30	7%	0.07	15%	0.154	C	C	.	.	H	α-helix	trans	-67.6	-43.6	176.6	-59.9	-178.7	174.6	-159.1	0	112	M247 D297 C298 Q315 P316 N317 L318 C322 Q323 L324	M247-K320 VanDerWaalsContact O-CD 3.24Å; M247-K320 WeakPolarHBondContact O-CD 3.48Å; M247-K320 PolarHBondContact O-NZ 3.2Å; D297-K320 PolarHBondContact O-NZ 3.4Å; D297-K320 IonicContact OD1-NZ 2.8Å; D297-K320 PolarHBondContact OD1-NZ 2.76Å; D297-K320 WeakPolarHBondContact OD2-CD 3.44Å; D297-K320 WeakPolarHBondContact OD2-CE 3.45Å; D297-K320 IonicContact OD2-NZ 3.78Å; D297-K320 PolarHBondContact OD2-NZ 3.24Å; C298-K320 PolarHBondContact SG-NZ 3.45Å; Q315-K320 HydrophobicContact CG-CG 4.34Å; P316-K320 PolarHBondContact O-N 2.84Å; N317-K320 WeakPolarHBondContact O-CB 3.05Å; N317-K320 PolarHBondContact O-N 3.47Å; N317-K320 VanDerWaalsContact O-N 3.12Å; L318-K320 VanDerWaalsContact C-N 3.28Å; L318-K320 PolarHBondContact O-N 3.28Å; K320-C322 PolarHBondContact O-N 3.27Å; K320-Q323 WeakPolarHBondContact O-CB 3.43Å; K320-Q323 PolarHBondContact O-N 2.98Å; K320-L324 WeakPolarHBondContact O-CG 3.18Å; K320-L324 PolarHBondContact O-N 2.68Å
321	A	94.3	Very high	90.1	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-60.8	-45.2	175.6	0	0	0	0	0	111.4	L230 V234 N317 L318 Q323 L324 L325	L230-A321 HydrophobicContact CD2-CB 4.13Å; L230-A321 HydrophobicContact CG-CB 4.21Å; V234-A321 HydrophobicContact CG2-CB 3.72Å; N317-A321 PolarHBondContact O-N 3.15Å; L318-A321 PolarHBondContact O-N 3.01Å; A321-Q323 VanDerWaalsContact C-N 3.32Å; A321-Q323 PolarHBondContact O-N 3.04Å; A321-L324 WeakPolarHBondContact O-CB 3.19Å; A321-L324 PolarHBondContact O-N 3.41Å; A321-L324 VanDerWaalsContact O-N 3.15Å; A321-L325 WeakPolarHBondContact O-CB 3.15Å; A321-L325 VanDerWaalsContact O-CG 3.29Å; A321-L325 WeakPolarHBondContact O-CG 3.33Å; A321-L325 PolarHBondContact O-N 3.29Å
322	C	94.9	Very high	90.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-36.4	175.5	-72	0	0	0	0	112.8	L318 K320 L324 L325 K326 L345 C348 I349 L369	L318-C322 WeakPolarHBondContact O-CB 3.21Å; L318-C322 PolarHBondContact O-N 2.96Å; L318-C322 PolarHBondContact O-SG 2.96Å; L318-C322 VanDerWaalsContact O-SG 3.4Å; K320-C322 PolarHBondContact O-N 3.27Å; C322-L324 VanDerWaalsContact C-N 3.33Å; C322-L324 PolarHBondContact O-N 3.36Å; C322-L325 PolarHBondContact O-N 3.38Å; C322-K326 WeakPolarHBondContact O-CB 3.35Å; C322-K326 PolarHBondContact O-N 3.39Å; C322-L345 HydrophobicContact CB-CD2 4.25Å; C322-C348 HydrophobicContact CB-CB 3.57Å; C322-C348 WeakPolarHBondContact CB-SG 3.34Å; C322-C348 WeakPolarHBondContact SG-CB 2.96Å; C322-C348 CovalentContact SG-SG 2.01Å; C322-C348 PolarHBondContact SG-SG 3.3Å; C322-I349 HydrophobicContact CB-CG1 3.88Å; C322-L369 VanDerWaalsContact SG-CD1 3.59Å
323	Q	92.8	Very high	90.5	Very high	97 Å²	97	29 Å²	29	45%	0.453	16%	0.155	S	C	.	.	H	α-helix	trans	-62.3	-40.2	173.3	-176.7	64.4	30.6	0	0	111.8	A319 K320 A321 I349	A319-Q323 WeakPolarHBondContact O-CB 3.46Å; A319-Q323 PolarHBondContact O-N 3.28Å; K320-Q323 WeakPolarHBondContact O-CB 3.43Å; K320-Q323 PolarHBondContact O-N 2.98Å; A321-Q323 VanDerWaalsContact C-N 3.32Å; A321-Q323 PolarHBondContact O-N 3.04Å; Q323-I349 HydrophobicContact CB-CG1 4.24Å
324	L	91.7	Very high	90.8	Very high	25 Å²	25	29.8 Å²	29.8	13%	0.131	16%	0.16	C	C	.	.	H	α-helix	trans	-67.6	-38.4	174.3	-68.6	170.4	0	0	0	112.3	T250 L255 K320 A321 C322	T250-L324 HydrophobicContact CG2-CD1 3.86Å; L255-L324 HydrophobicContact CD1-CD1 4.23Å; K320-L324 WeakPolarHBondContact O-CG 3.18Å; K320-L324 PolarHBondContact O-N 2.68Å; A321-L324 WeakPolarHBondContact O-CB 3.19Å; A321-L324 PolarHBondContact O-N 3.41Å; A321-L324 VanDerWaalsContact O-N 3.15Å; C322-L324 VanDerWaalsContact C-N 3.33Å; C322-L324 PolarHBondContact O-N 3.36Å
325	L	93	Very high	91	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.01	18%	0.182	C	C	.	.	H	α-helix	trans	-80.3	-19.8	-177	-69.4	175.9	0	0	0	114	A227 L230 L231 A321 C322 D327 Y328 L329 L345	A227-L325 HydrophobicContact CB-CD1 3.98Å; A227-L325 HydrophobicContact CB-CD2 3.64Å; A227-L325 HydrophobicContact CB-CG 4.42Å; L230-L325 HydrophobicContact CD2-CD1 4.1Å; L230-L325 HydrophobicContact CD2-CD2 3.97Å; L230-L325 HydrophobicContact CD2-CG 3.9Å; L231-L325 HydrophobicContact CD2-CD1 4.19Å; L231-L325 HydrophobicContact CG-CD1 4.37Å; A321-L325 WeakPolarHBondContact O-CB 3.15Å; A321-L325 VanDerWaalsContact O-CG 3.29Å; A321-L325 WeakPolarHBondContact O-CG 3.33Å; A321-L325 PolarHBondContact O-N 3.29Å; C322-L325 PolarHBondContact O-N 3.38Å; L325-D327 PolarHBondContact O-N 3.45Å; L325-Y328 HydrophobicContact CD2-CD1 4.12Å; L325-Y328 WeakPolarHBondContact O-CB 3.26Å; L325-Y328 PolarHBondContact O-N 3.21Å; L325-L329 HydrophobicContact CB-CD1 3.97Å; L325-L329 HydrophobicContact CB-CG 4.33Å; L325-L329 HydrophobicContact CD1-CD1 4.47Å; L325-L329 WeakPolarHBondContact O-CB 3.46Å; L325-L329 PolarHBondContact O-N 3.21Å; L325-L345 HydrophobicContact CB-CD2 4.45Å
326	K	92.9	Very high	91.3	Very high	36 Å²	36	35.7 Å²	35.7	16%	0.157	20%	0.197	C	C	.	.	H	α-helix	trans	-52.4	-63.9	-171.3	-171.4	-172.9	70.8	169.2	0	113.1	C322 Y328 L330 Y346 I349	C322-K326 WeakPolarHBondContact O-CB 3.35Å; C322-K326 PolarHBondContact O-N 3.39Å; K326-Y328 VanDerWaalsContact C-N 3.25Å; K326-Y328 PolarHBondContact O-N 3.12Å; K326-L330 HydrophobicContact CG-CD1 3.85Å; K326-L330 WeakPolarHBondContact O-CB 3.48Å; K326-L330 WeakPolarHBondContact O-CG 3.35Å; K326-L330 PolarHBondContact O-N 3.04Å; K326-Y346 HydrophobicContact CD-CE1 4.13Å; K326-I349 HydrophobicContact CB-CD1 4.17Å; K326-I349 HydrophobicContact CD-CD1 3.82Å; K326-I349 HydrophobicContact CG-CD1 4.27Å
327	D	88.3	Confident	91.4	Very high	80 Å²	80	36 Å²	36	43%	0.428	20%	0.199	S	C	.	.	H	α-helix	trans	-71	-27.9	-177.3	-64.3	-19	0	0	0	111.4	L325 R331	L325-D327 PolarHBondContact O-N 3.45Å; D327-R331 WeakPolarHBondContact O-CB 3.22Å; D327-R331 PolarHBondContact O-N 2.89Å
328	Y	89.3	Confident	91.4	Very high	6 Å²	6	42.3 Å²	42.3	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-45.3	179	-177.3	-107.5	0	0	0	112.1	Y192 T217 K223 I226 L325 K326	Y192-Y328 AromaticContact CD1-CD2 3.59Å; Y192-Y328 HydrophobicContact CD1-CD2 3.59Å; Y192-Y328 HydrophobicContact CD1-CE2 4.22Å; Y192-Y328 HydrophobicContact CD1-CG 4.3Å; Y192-Y328 HydrophobicContact CE1-CD2 4.32Å; Y192-Y328 HydrophobicContact CG-CD2 4.38Å; T217-Y328 HydrophobicContact CG2-CD2 4.4Å; T217-Y328 HydrophobicContact CG2-CE2 4.16Å; K223-Y328 HydrophobicContact CB-CD1 4.23Å; K223-Y328 HydrophobicContact CB-CE1 3.51Å; K223-Y328 HydrophobicContact CD-CE1 4.33Å; K223-Y328 HydrophobicContact CD-CE2 4.34Å; K223-Y328 WeakPolarHBondContact CD-O 3.42Å; K223-Y328 HydrophobicContact CG-CE1 3.93Å; K223-Y328 HydrophobicContact CG-CE2 4.24Å; K223-Y328 PolarHBondContact NZ-O 3.2Å; I226-Y328 WeakPolarHBondContact CD1-OH 3.4Å; L325-Y328 HydrophobicContact CD2-CD1 4.12Å; L325-Y328 WeakPolarHBondContact O-CB 3.26Å; L325-Y328 PolarHBondContact O-N 3.21Å; K326-Y328 VanDerWaalsContact C-N 3.25Å; K326-Y328 PolarHBondContact O-N 3.12Å
329	L	92.3	Very high	91.5	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-85.7	-37.8	-177.7	-71.6	178.4	0	0	0	113.6	W220 K223 A227 L325 R331 L341 L373	W220-L329 PolarHBondContact NE1-O 3.15Å; K223-L329 HydrophobicContact CB-CD2 4.37Å; A227-L329 HydrophobicContact CB-CD1 4Å; A227-L329 HydrophobicContact CB-CD2 3.82Å; A227-L329 HydrophobicContact CB-CG 4.24Å; L325-L329 HydrophobicContact CB-CD1 3.97Å; L325-L329 HydrophobicContact CB-CG 4.33Å; L325-L329 HydrophobicContact CD1-CD1 4.47Å; L325-L329 WeakPolarHBondContact O-CB 3.46Å; L325-L329 PolarHBondContact O-N 3.21Å; L329-R331 VanDerWaalsContact C-N 3.26Å; L329-R331 PolarHBondContact O-N 3.35Å; L329-L341 HydrophobicContact CB-CD2 4.19Å; L329-L341 HydrophobicContact CD1-CD1 4.4Å; L329-L373 HydrophobicContact CD1-CD1 4.27Å; L329-L373 HydrophobicContact CD1-CD2 4.23Å; L329-L373 HydrophobicContact CD2-CD2 4.28Å
330	L	91.9	Very high	91.5	Very high	22 Å²	22	54.2 Å²	54.2	12%	0.115	28%	0.278	C	S	.	.	H	α-helix	trans	-67.5	-29.1	-179	-68.8	178.5	0	0	0	112.4	K326 G332 A333 L341 E342 L345	K326-L330 HydrophobicContact CG-CD1 3.85Å; K326-L330 WeakPolarHBondContact O-CB 3.48Å; K326-L330 WeakPolarHBondContact O-CG 3.35Å; K326-L330 PolarHBondContact O-N 3.04Å; L330-G332 PolarHBondContact O-N 3.29Å; L330-A333 WeakPolarHBondContact O-CB 3.3Å; L330-A333 PolarHBondContact O-N 3.38Å; L330-L341 HydrophobicContact CD2-CD2 4.44Å; L330-L341 HydrophobicContact CD2-CG 4.32Å; L330-E342 HydrophobicContact CD1-CB 4.5Å; L330-E342 HydrophobicContact CD1-CG 4.15Å; L330-E342 HydrophobicContact CD2-CB 3.73Å; L330-E342 HydrophobicContact CD2-CG 4.27Å; L330-L345 HydrophobicContact CD2-CD1 4.12Å; L330-L345 HydrophobicContact CG-CD1 4.07Å
331	R	86.8	Confident	91.7	Very high	121 Å²	121	53.4 Å²	53.4	46%	0.457	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	113.4	176.9	-175.7	-178.8	-71.5	-93.2	3.2	111.3	K223 D327 L329 A333	K223-R331 PolarHBondContact NZ-O 3.36Å; K223-R331 VanDerWaalsContact NZ-O 3.16Å; D327-R331 WeakPolarHBondContact O-CB 3.22Å; D327-R331 PolarHBondContact O-N 2.89Å; L329-R331 VanDerWaalsContact C-N 3.26Å; L329-R331 PolarHBondContact O-N 3.35Å; R331-A333 VanDerWaalsContact C-N 3.33Å
332	G	85.6	Confident	91.7	Very high	60 Å²	60	56.7 Å²	56.7	62%	0.619	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.2	13.1	-177.6	0	0	0	0	0	113	W220 L330	W220-G332 WeakPolarHBondContact CB-O 3.47Å; W220-G332 VanDerWaalsContact CD1-O 3.24Å; L330-G332 PolarHBondContact O-N 3.29Å
333	A	91.1	Very high	91.8	Very high	13 Å²	13	62.8 Å²	62.8	11%	0.107	32%	0.316	C	S	.	.			trans	-61.7	132.8	174.4	0	0	0	0	0	111.3	L330 R331 R338 L341	L330-A333 WeakPolarHBondContact O-CB 3.3Å; L330-A333 PolarHBondContact O-N 3.38Å; R331-A333 VanDerWaalsContact C-N 3.33Å; A333-R338 HydrophobicContact CB-CB 4.13Å; A333-R338 HydrophobicContact CB-CG 4.21Å; A333-L341 HydrophobicContact CB-CD2 4.4Å
334	P	91.4	Very high	91.8	Very high	26 Å²	26	59.4 Å²	59.4	17%	0.169	30%	0.3	C	S	.	.			trans	-54.5	138.6	169.7	-19.8	27.7	0	0	0	111	W220 E336 I337 R338 K376	W220-P334 VanDerWaalsContact CD2-CD 3.5Å; W220-P334 HydrophobicContact CD2-CG 4.2Å; W220-P334 HydrophobicContact CE3-CG 4.04Å; W220-P334 HydrophobicContact CZ3-CG 4.38Å; P334-E336 VanDerWaalsContact CB-OE2 3.27Å; P334-E336 WeakPolarHBondContact CB-OE2 3.45Å; P334-E336 PolarHBondContact O-N 3.4Å; P334-E336 VanDerWaalsContact O-N 3.15Å; P334-I337 HydrophobicContact CB-CG1 4.22Å; P334-I337 HydrophobicContact CG-CD1 4.21Å; P334-I337 HydrophobicContact CG-CG1 4.3Å; P334-I337 PolarHBondContact O-N 2.84Å; P334-R338 WeakPolarHBondContact O-CB 3.24Å; P334-R338 PolarHBondContact O-N 2.95Å; P334-R338 VanDerWaalsContact O-N 3.12Å; P334-K376 HydrophobicContact CG-CD 4.23Å; P334-K376 HydrophobicContact CG-CG 4.26Å
335	S	90.5	Very high	92	Very high	101 Å²	101	58.3 Å²	58.3	71%	0.706	29%	0.294	S	S	*	.	H	α-helix	trans	-53.1	-37.5	-179.2	27.4	0	0	0	0	112.9	I337	S335-I337 VanDerWaalsContact C-N 3.27Å; S335-I337 PolarHBondContact O-N 3.46Å
336	E	90.6	Very high	92.1	Very high	127 Å²	127	63.6 Å²	63.6	59%	0.593	32%	0.315	S	S	*	.	H	α-helix	trans	-63.3	-28.7	-175.2	-49.8	77.5	-114.7	0	0	114	P334 K376	P334-E336 VanDerWaalsContact CB-OE2 3.27Å; P334-E336 WeakPolarHBondContact CB-OE2 3.45Å; P334-E336 PolarHBondContact O-N 3.4Å; P334-E336 VanDerWaalsContact O-N 3.15Å; E336-K376 IonicContact OE2-NZ 2.67Å; E336-K376 PolarHBondContact OE2-NZ 2.73Å
337	I	91.9	Very high	92.1	Very high	21 Å²	21	64.6 Å²	64.6	11%	0.108	33%	0.326	C	S	.	.	H	α-helix	trans	-116.6	-8.5	-175	62.4	171	0	0	0	113	W220 P334 S335 E339 E340 L341 L372 K376	W220-I337 HydrophobicContact CH2-CD1 3.17Å; W220-I337 HydrophobicContact CZ2-CD1 3.45Å; W220-I337 VanDerWaalsContact CZ2-CD1 3.45Å; W220-I337 HydrophobicContact CZ3-CD1 3.95Å; P334-I337 HydrophobicContact CB-CG1 4.22Å; P334-I337 HydrophobicContact CG-CD1 4.21Å; P334-I337 HydrophobicContact CG-CG1 4.3Å; P334-I337 PolarHBondContact O-N 2.84Å; S335-I337 VanDerWaalsContact C-N 3.27Å; S335-I337 PolarHBondContact O-N 3.46Å; I337-E339 PolarHBondContact O-N 3.43Å; I337-E340 PolarHBondContact O-N 3.37Å; I337-L341 WeakPolarHBondContact O-CB 3.37Å; I337-L341 PolarHBondContact O-N 2.94Å; I337-L372 HydrophobicContact CB-CD1 4.33Å; I337-L372 HydrophobicContact CG2-CD1 4.17Å; I337-K376 HydrophobicContact CD1-CB 4.17Å; I337-K376 HydrophobicContact CD1-CD 4.47Å; I337-K376 HydrophobicContact CD1-CG 4.09Å
338	R	93.2	Very high	92.4	Very high	132 Å²	132	60.8 Å²	60.8	50%	0.498	31%	0.306	S	S	.	.	H	α-helix	trans	-58.9	-46.2	-170.5	178.5	174.7	173.6	161.4	-2	112.7	A333 P334 E342	A333-R338 HydrophobicContact CB-CB 4.13Å; A333-R338 HydrophobicContact CB-CG 4.21Å; P334-R338 WeakPolarHBondContact O-CB 3.24Å; P334-R338 PolarHBondContact O-N 2.95Å; P334-R338 VanDerWaalsContact O-N 3.12Å; R338-E342 VanDerWaalsContact O-CB 3.3Å; R338-E342 WeakPolarHBondContact O-CB 3.41Å; R338-E342 PolarHBondContact O-N 2.92Å
339	E	94	Very high	92.6	Very high	168 Å²	168	62 Å²	62	79%	0.785	31%	0.313	S	S	*	.	H	α-helix	trans	-65.4	-47.9	-178.5	-173.2	-179.7	174.5	0	0	111.7	I337 E342 K343	I337-E339 PolarHBondContact O-N 3.43Å; E339-E342 PolarHBondContact O-N 3.32Å; E339-K343 PolarHBondContact O-N 2.94Å
340	E	94.1	Very high	92.5	Very high	82 Å²	82	65.3 Å²	65.3	38%	0.383	34%	0.341	S	S	.	.	H	α-helix	trans	-64.8	-42.1	178	-174.4	57.9	-150.4	0	0	111.4	I337 E342 K343 Q344 L372	I337-E340 PolarHBondContact O-N 3.37Å; E340-E342 PolarHBondContact O-N 2.82Å; E340-K343 PolarHBondContact O-N 3.47Å; E340-Q344 HydrophobicContact CG-CG 4.45Å; E340-Q344 VanDerWaalsContact O-CG 3.27Å; E340-Q344 WeakPolarHBondContact O-CG 3.37Å; E340-Q344 PolarHBondContact O-N 3Å; E340-Q344 PolarHBondContact OE1-NE2 3.44Å; E340-L372 HydrophobicContact CB-CD2 4.48Å; E340-L372 HydrophobicContact CG-CD1 4.39Å; E340-L372 HydrophobicContact CG-CD2 4.17Å
341	L	94.9	Very high	92.3	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.9	-44.6	177	178.5	60.8	0	0	0	111.7	W220 L329 L330 A333 I337 Q344 L345 L369 L372 L373	W220-L341 HydrophobicContact CZ2-CD2 4.05Å; L329-L341 HydrophobicContact CB-CD2 4.19Å; L329-L341 HydrophobicContact CD1-CD1 4.4Å; L330-L341 HydrophobicContact CD2-CD2 4.44Å; L330-L341 HydrophobicContact CD2-CG 4.32Å; A333-L341 HydrophobicContact CB-CD2 4.4Å; I337-L341 WeakPolarHBondContact O-CB 3.37Å; I337-L341 PolarHBondContact O-N 2.94Å; L341-Q344 PolarHBondContact O-N 3.33Å; L341-L345 HydrophobicContact CD1-CD1 3.95Å; L341-L345 HydrophobicContact CD1-CG 4.2Å; L341-L345 HydrophobicContact CG-CD1 3.87Å; L341-L345 WeakPolarHBondContact O-CB 3.18Å; L341-L345 WeakPolarHBondContact O-CD1 3.21Å; L341-L345 VanDerWaalsContact O-CG 3.24Å; L341-L345 WeakPolarHBondContact O-CG 3.37Å; L341-L345 PolarHBondContact O-N 3.5Å; L341-L369 HydrophobicContact CD1-CD2 4.28Å; L341-L372 HydrophobicContact CB-CD2 3.91Å; L341-L372 HydrophobicContact CD1-CD2 4.13Å; L341-L373 HydrophobicContact CD1-CD2 4.27Å
342	E	95.4	Very high	92.1	Very high	69 Å²	69	66.2 Å²	66.2	32%	0.322	35%	0.348	S	S	.	.	H	α-helix	trans	-60.8	-47.1	177.1	-174.6	164.3	-170.1	0	0	111.4	L330 R338 E339 E340 Q344 L345 Y346	L330-E342 HydrophobicContact CD1-CB 4.5Å; L330-E342 HydrophobicContact CD1-CG 4.15Å; L330-E342 HydrophobicContact CD2-CB 3.73Å; L330-E342 HydrophobicContact CD2-CG 4.27Å; R338-E342 VanDerWaalsContact O-CB 3.3Å; R338-E342 WeakPolarHBondContact O-CB 3.41Å; R338-E342 PolarHBondContact O-N 2.92Å; E339-E342 PolarHBondContact O-N 3.32Å; E340-E342 PolarHBondContact O-N 2.82Å; E342-Q344 PolarHBondContact O-N 3.08Å; E342-L345 PolarHBondContact O-N 3.33Å; E342-Y346 HydrophobicContact CG-CD2 3.72Å; E342-Y346 HydrophobicContact CG-CE2 3.47Å; E342-Y346 VanDerWaalsContact CG-CE2 3.47Å; E342-Y346 WeakPolarHBondContact O-CD2 3.4Å; E342-Y346 PolarHBondContact O-N 3.03Å; E342-Y346 WeakPolarHBondContact OE1-CE2 3.26Å
343	K	95.1	Very high	91.3	Very high	129 Å²	129	65.9 Å²	65.9	56%	0.561	33%	0.333	S	S	*	.	H	α-helix	trans	-57.9	-50.4	176.3	-176.9	-176.5	175.4	-171.5	0	111.9	E339 E340 L345 Y346 S347	E339-K343 PolarHBondContact O-N 2.94Å; E340-K343 PolarHBondContact O-N 3.47Å; K343-L345 VanDerWaalsContact C-N 3.34Å; K343-L345 PolarHBondContact O-N 2.88Å; K343-Y346 PolarHBondContact O-N 3.37Å; K343-S347 PolarHBondContact O-N 3.02Å; K343-S347 PolarHBondContact O-OG 2.99Å
344	Q	94.2	Very high	89.8	Confident	26 Å²	26	70.1 Å²	70.1	12%	0.121	36%	0.358	C	S	.	.	H	α-helix	trans	-62.9	-39.7	180	-66	-63.6	-34.6	0	0	111.9	E340 L341 E342 S347 C348 L369	E340-Q344 HydrophobicContact CG-CG 4.45Å; E340-Q344 VanDerWaalsContact O-CG 3.27Å; E340-Q344 WeakPolarHBondContact O-CG 3.37Å; E340-Q344 PolarHBondContact O-N 3Å; E340-Q344 PolarHBondContact OE1-NE2 3.44Å; L341-Q344 PolarHBondContact O-N 3.33Å; E342-Q344 PolarHBondContact O-N 3.08Å; Q344-S347 PolarHBondContact O-N 3.32Å; Q344-C348 VanDerWaalsContact O-CB 3.24Å; Q344-C348 WeakPolarHBondContact O-CB 3.25Å; Q344-C348 PolarHBondContact O-N 3.32Å; Q344-L369 HydrophobicContact CB-CD2 3.55Å; Q344-L369 HydrophobicContact CB-CG 4.21Å
345	L	95.6	Very high	88	Confident	1 Å²	1	72.9 Å²	72.9	1%	0.005	38%	0.383	C	S	.	.	H	α-helix	trans	-64.3	-43	176.6	-75.9	165.3	0	0	0	112.2	C322 L325 L330 L341 E342 K343 C348 I349 L369	C322-L345 HydrophobicContact CB-CD2 4.25Å; L325-L345 HydrophobicContact CB-CD2 4.45Å; L330-L345 HydrophobicContact CD2-CD1 4.12Å; L330-L345 HydrophobicContact CG-CD1 4.07Å; L341-L345 HydrophobicContact CD1-CD1 3.95Å; L341-L345 HydrophobicContact CD1-CG 4.2Å; L341-L345 HydrophobicContact CG-CD1 3.87Å; L341-L345 WeakPolarHBondContact O-CB 3.18Å; L341-L345 WeakPolarHBondContact O-CD1 3.21Å; L341-L345 VanDerWaalsContact O-CG 3.24Å; L341-L345 WeakPolarHBondContact O-CG 3.37Å; L341-L345 PolarHBondContact O-N 3.5Å; E342-L345 PolarHBondContact O-N 3.33Å; K343-L345 VanDerWaalsContact C-N 3.34Å; K343-L345 PolarHBondContact O-N 2.88Å; L345-C348 WeakPolarHBondContact O-CB 3.38Å; L345-C348 PolarHBondContact O-N 3.28Å; L345-I349 WeakPolarHBondContact O-CD1 3.33Å; L345-I349 WeakPolarHBondContact O-CG1 3.17Å; L345-I349 PolarHBondContact O-N 3.4Å; L345-L369 HydrophobicContact CD2-CD2 4.45Å; L345-L369 HydrophobicContact CG-CD2 4.43Å
346	Y	95.2	Very high	86.2	Confident	113 Å²	113	75.6 Å²	75.6	44%	0.443	39%	0.39	S	S	.	.	H	α-helix	trans	-66.8	-42.2	176.8	-80.9	-65.7	0	0	0	112.5	K326 E342 K343 C348 I349 A350	K326-Y346 HydrophobicContact CD-CE1 4.13Å; E342-Y346 HydrophobicContact CG-CD2 3.72Å; E342-Y346 HydrophobicContact CG-CE2 3.47Å; E342-Y346 VanDerWaalsContact CG-CE2 3.47Å; E342-Y346 WeakPolarHBondContact O-CD2 3.4Å; E342-Y346 PolarHBondContact O-N 3.03Å; E342-Y346 WeakPolarHBondContact OE1-CE2 3.26Å; K343-Y346 PolarHBondContact O-N 3.37Å; Y346-C348 VanDerWaalsContact C-N 3.28Å; Y346-C348 PolarHBondContact O-N 3.43Å; Y346-I349 PolarHBondContact O-N 3.37Å; Y346-A350 WeakPolarHBondContact O-CB 3.47Å; Y346-A350 PolarHBondContact O-N 2.83Å
347	S	93.1	Very high	84.5	Confident	57 Å²	57	76 Å²	76	40%	0.399	39%	0.391	S	S	.	.	H	α-helix	trans	-58.8	-42.1	172.5	-68	0	0	0	0	111.5	K343 Q344 A350 L351	K343-S347 PolarHBondContact O-N 3.02Å; K343-S347 PolarHBondContact O-OG 2.99Å; Q344-S347 PolarHBondContact O-N 3.32Å; S347-A350 PolarHBondContact O-N 2.91Å; S347-L351 PolarHBondContact O-N 3.22Å
348	C	94.1	Very high	83.2	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-63	-44.8	176.4	-176.8	0	0	0	0	113.1	L318 A319 C322 Q344 L345 Y346 A350 L351 I365 L369	L318-C348 VanDerWaalsContact CG-SG 3.52Å; L318-C348 PolarHBondContact O-SG 3.39Å; A319-C348 WeakPolarHBondContact CA-O 3.39Å; A319-C348 WeakPolarHBondContact CB-O 3.37Å; C322-C348 HydrophobicContact CB-CB 3.57Å; C322-C348 WeakPolarHBondContact CB-SG 3.34Å; C322-C348 WeakPolarHBondContact SG-CB 2.96Å; C322-C348 CovalentContact SG-SG 2.01Å; C322-C348 PolarHBondContact SG-SG 3.3Å; Q344-C348 VanDerWaalsContact O-CB 3.24Å; Q344-C348 WeakPolarHBondContact O-CB 3.25Å; Q344-C348 PolarHBondContact O-N 3.32Å; L345-C348 WeakPolarHBondContact O-CB 3.38Å; L345-C348 PolarHBondContact O-N 3.28Å; Y346-C348 VanDerWaalsContact C-N 3.28Å; Y346-C348 PolarHBondContact O-N 3.43Å; C348-A350 VanDerWaalsContact C-N 3.27Å; C348-A350 PolarHBondContact O-N 3.49Å; C348-L351 VanDerWaalsContact O-CB 3.29Å; C348-L351 WeakPolarHBondContact O-CB 3.45Å; C348-L351 WeakPolarHBondContact O-CG 3.35Å; C348-L351 PolarHBondContact O-N 3.42Å; C348-I365 HydrophobicContact CB-CG2 3.63Å; C348-L369 HydrophobicContact CB-CD1 4.14Å
349	I	93.2	Very high	82	Confident	32 Å²	32	77.7 Å²	77.7	16%	0.164	41%	0.405	C	S	.	.	H	α-helix	trans	-65.1	-33.9	178.7	-69.4	160.3	0	0	0	111.4	C322 Q323 K326 L345 Y346 L351	C322-I349 HydrophobicContact CB-CG1 3.88Å; Q323-I349 HydrophobicContact CB-CG1 4.24Å; K326-I349 HydrophobicContact CB-CD1 4.17Å; K326-I349 HydrophobicContact CD-CD1 3.82Å; K326-I349 HydrophobicContact CG-CD1 4.27Å; L345-I349 WeakPolarHBondContact O-CD1 3.33Å; L345-I349 WeakPolarHBondContact O-CG1 3.17Å; L345-I349 PolarHBondContact O-N 3.4Å; Y346-I349 PolarHBondContact O-N 3.37Å; I349-L351 PolarHBondContact O-N 2.96Å
350	A	90.8	Very high	80.9	Confident	72 Å²	72	76.2 Å²	76.2	60%	0.595	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.5	179.4	0	0	0	0	0	113.8	Y346 S347 C348 K352	Y346-A350 WeakPolarHBondContact O-CB 3.47Å; Y346-A350 PolarHBondContact O-N 2.83Å; S347-A350 PolarHBondContact O-N 2.91Å; C348-A350 VanDerWaalsContact C-N 3.27Å; C348-A350 PolarHBondContact O-N 3.49Å; A350-K352 PolarHBondContact O-N 2.95Å
351	L	88.4	Confident	80.3	Confident	18 Å²	18	76.8 Å²	76.8	9%	0.094	40%	0.403	C	S	.	.			trans	-58	125.7	176.4	-75.3	170.8	0	0	0	110.6	P316 L318 A319 S347 C348 I349 E361 I365	P316-L351 WeakPolarHBondContact CD-O 3.24Å; P316-L351 HydrophobicContact CG-CB 3.9Å; L318-L351 HydrophobicContact CD2-CD1 3.93Å; L318-L351 HydrophobicContact CG-CD1 4.28Å; A319-L351 HydrophobicContact CB-CB 4.27Å; S347-L351 PolarHBondContact O-N 3.22Å; C348-L351 VanDerWaalsContact O-CB 3.29Å; C348-L351 WeakPolarHBondContact O-CB 3.45Å; C348-L351 WeakPolarHBondContact O-CG 3.35Å; C348-L351 PolarHBondContact O-N 3.42Å; I349-L351 PolarHBondContact O-N 2.96Å; L351-E361 HydrophobicContact CD2-CB 4.43Å; L351-I365 HydrophobicContact CD1-CD1 3.92Å; L351-I365 HydrophobicContact CD2-CD1 3.78Å; L351-I365 HydrophobicContact CG-CD1 3.96Å
352	K	80.7	Confident	79.7	Confident	144 Å²	144	77.3 Å²	77.3	63%	0.626	41%	0.405	S	S	*	.			trans	-120.6	153	173.5	-68.7	-173.8	-179.5	-175.4	0	109.2	I314 A350 T354	I314-K352 WeakPolarHBondContact O-CA 3.42Å; A350-K352 PolarHBondContact O-N 2.95Å; K352-T354 PolarHBondContact O-N 2.04Å
353	V	69.1	Low	79.2	Confident	53 Å²	53	76 Å²	76	32%	0.321	40%	0.404	S	S	.	.			trans	-84.4	100.9	177.4	-178	0	0	0	0	109.6	V313 I314 P316 M358	V313-V353 WeakPolarHBondContact O-CB 3.35Å; V313-V353 WeakPolarHBondContact O-CG1 3.23Å; V313-V353 WeakPolarHBondContact O-CG2 3.23Å; I314-V353 PolarHBondContact O-N 3.11Å; P316-V353 HydrophobicContact CB-CG2 4.33Å; V353-M358 WeakPolarHBondContact CA-SD 3.42Å; V353-M358 HydrophobicContact CB-SD 3.85Å; V353-M358 HydrophobicContact CG1-CE 3.66Å; V353-M358 HydrophobicContact CG1-SD 3.58Å; V353-M358 VanDerWaalsContact CG1-SD 3.58Å; V353-M358 HydrophobicContact CG2-SD 4.41Å
354	T	60.8	Low	79	Confident	101 Å²	101	74.7 Å²	74.7	62%	0.62	40%	0.402	S	S	*	.			trans	-132.4	127.4	170.4	51.8	0	0	0	0	111.5	K352 M358	K352-T354 PolarHBondContact O-N 2.04Å; T354-M358 PolarHBondContact N-SD 3.48Å; T354-M358 WeakPolarHBondContact O-CE 3.01Å; T354-M358 WeakPolarHBondContact O-CG 3.03Å; T354-M358 VanDerWaalsContact O-SD 3.4Å
355	A	53.6	Low	78.8	Confident	85 Å²	85	74.3 Å²	74.3	70%	0.702	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	137.7	-168.3	0	0	0	0	0	115.2
356	N	51.7	Low	78.6	Confident	158 Å²	158	74.4 Å²	74.4	85%	0.845	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.7	-19.9	166.3	-64.4	-9.2	0	0	0	120.2
357	Q	55.3	Low	78.5	Confident	134 Å²	134	72.5 Å²	72.5	63%	0.626	40%	0.399	S	S	*	.	S	Bend	trans	-124.5	-2.1	178.5	-74.9	178.3	-26.8	0	0	115	E361	Q357-E361 PolarHBondContact O-N 3.48Å
358	M	64.1	Low	78.5	Confident	52 Å²	52	73 Å²	73	26%	0.256	40%	0.397	S	S	.	.	H	α-helix	trans	-73.7	-40.7	-166.4	-72.1	-178.9	-75.7	0	0	116.8	V353 T354 M360 E361 H362	V353-M358 WeakPolarHBondContact CA-SD 3.42Å; V353-M358 HydrophobicContact CB-SD 3.85Å; V353-M358 HydrophobicContact CG1-CE 3.66Å; V353-M358 HydrophobicContact CG1-SD 3.58Å; V353-M358 VanDerWaalsContact CG1-SD 3.58Å; V353-M358 HydrophobicContact CG2-SD 4.41Å; T354-M358 PolarHBondContact N-SD 3.48Å; T354-M358 WeakPolarHBondContact O-CE 3.01Å; T354-M358 WeakPolarHBondContact O-CG 3.03Å; T354-M358 VanDerWaalsContact O-SD 3.4Å; M358-M360 PolarHBondContact O-N 2.84Å; M358-E361 PolarHBondContact O-N 3.16Å; M358-H362 WeakPolarHBondContact O-CB 3.25Å; M358-H362 PolarHBondContact O-N 3.31Å
359	E	68.5	Low	78.5	Confident	138 Å²	138	73.1 Å²	73.1	65%	0.645	40%	0.398	S	S	*	.	H	α-helix	trans	-62.9	-35	-176	-70.1	-177.4	170.8	0	0	110.6	S363	E359-S363 VanDerWaalsContact O-CB 3.25Å; E359-S363 WeakPolarHBondContact O-CB 3.28Å; E359-S363 PolarHBondContact O-N 3.25Å; E359-S363 PolarHBondContact O-OG 2.67Å
360	M	71.9	Confident	78.5	Confident	136 Å²	136	73.3 Å²	73.3	67%	0.67	40%	0.398	S	S	*	.	H	α-helix	trans	-68.4	-47.7	173.4	-67.7	-171	-68.5	0	0	111.9	M358 S363 L364	M358-M360 PolarHBondContact O-N 2.84Å; M360-S363 PolarHBondContact O-N 3.39Å; M360-L364 WeakPolarHBondContact O-CB 3.42Å; M360-L364 PolarHBondContact O-N 3.47Å
361	E	79.8	Confident	78.6	Confident	95 Å²	95	74.1 Å²	74.1	44%	0.444	40%	0.395	S	S	.	.	H	α-helix	trans	-64.5	-42.7	179.1	-73.1	-172.7	168.9	0	0	112.5	L351 Q357 M358 L364 I365	L351-E361 HydrophobicContact CD2-CB 4.43Å; Q357-E361 PolarHBondContact O-N 3.48Å; M358-E361 PolarHBondContact O-N 3.16Å; E361-L364 PolarHBondContact O-N 3.14Å; E361-I365 WeakPolarHBondContact O-CB 3.46Å; E361-I365 WeakPolarHBondContact O-CG1 3.48Å; E361-I365 PolarHBondContact O-N 3.47Å
362	H	83.2	Confident	78.8	Confident	10 Å²	10	74.7 Å²	74.7	5%	0.046	40%	0.398	C	S	.	.	H	α-helix	trans	-57.3	-53.2	174.6	-179.8	-91.8	0	0	0	110.6	L318 M358 L364 I365 L366	L318-H362 WeakPolarHBondContact CB-NE2 3.25Å; L318-H362 VanDerWaalsContact CD2-CD2 3.45Å; L318-H362 WeakPolarHBondContact CD2-CD2 3.45Å; M358-H362 WeakPolarHBondContact O-CB 3.25Å; M358-H362 PolarHBondContact O-N 3.31Å; H362-L364 VanDerWaalsContact C-N 3.33Å; H362-L364 PolarHBondContact O-N 2.8Å; H362-I365 PolarHBondContact O-N 2.85Å; H362-L366 WeakPolarHBondContact O-CB 3.28Å; H362-L366 PolarHBondContact O-N 2.8Å
363	S	85.8	Confident	79.4	Confident	43 Å²	43	67.9 Å²	67.9	30%	0.301	37%	0.369	S	S	.	.	H	α-helix	trans	-62.8	-39.3	179.6	-58.9	0	0	0	0	112.1	E359 M360 N367	E359-S363 VanDerWaalsContact O-CB 3.25Å; E359-S363 WeakPolarHBondContact O-CB 3.28Å; E359-S363 PolarHBondContact O-N 3.25Å; E359-S363 PolarHBondContact O-OG 2.67Å; M360-S363 PolarHBondContact O-N 3.39Å; S363-N367 VanDerWaalsContact O-CB 3.24Å; S363-N367 WeakPolarHBondContact O-CB 3.06Å; S363-N367 PolarHBondContact O-N 3.49Å; S363-N367 PolarHBondContact O-ND2 3.25Å
364	L	89.1	Confident	80.4	Confident	100 Å²	100	72.9 Å²	72.9	52%	0.524	38%	0.382	S	S	.	.	H	α-helix	trans	-64.8	-51	179	179.7	63.6	0	0	0	111.6	M360 E361 H362 N367 N368	M360-L364 WeakPolarHBondContact O-CB 3.42Å; M360-L364 PolarHBondContact O-N 3.47Å; E361-L364 PolarHBondContact O-N 3.14Å; H362-L364 VanDerWaalsContact C-N 3.33Å; H362-L364 PolarHBondContact O-N 2.8Å; L364-N367 PolarHBondContact O-N 3.37Å; L364-N368 VanDerWaalsContact O-CB 3.3Å; L364-N368 WeakPolarHBondContact O-CB 3.49Å; L364-N368 PolarHBondContact O-N 3.26Å; L364-N368 PolarHBondContact O-ND2 3.49Å
365	I	90.9	Very high	81.7	Confident	19 Å²	19	74.6 Å²	74.6	10%	0.097	38%	0.381	C	S	.	.	H	α-helix	trans	-64.7	-44.1	-179.8	-71.2	167.9	0	0	0	110.5	L318 C348 L351 E361 H362 N367 N368 L369	L318-I365 HydrophobicContact CD2-CG2 4.4Å; C348-I365 HydrophobicContact CB-CG2 3.63Å; L351-I365 HydrophobicContact CD1-CD1 3.92Å; L351-I365 HydrophobicContact CD2-CD1 3.78Å; L351-I365 HydrophobicContact CG-CD1 3.96Å; E361-I365 WeakPolarHBondContact O-CB 3.46Å; E361-I365 WeakPolarHBondContact O-CG1 3.48Å; E361-I365 PolarHBondContact O-N 3.47Å; H362-I365 PolarHBondContact O-N 2.85Å; I365-N367 PolarHBondContact O-N 3.21Å; I365-N368 PolarHBondContact O-N 3.19Å; I365-L369 HydrophobicContact CG2-CD1 3.89Å; I365-L369 HydrophobicContact CG2-CG 4.42Å; I365-L369 WeakPolarHBondContact O-CB 3.47Å; I365-L369 WeakPolarHBondContact O-CG 3.48Å; I365-L369 PolarHBondContact O-N 3.39Å
366	L	91.6	Very high	83.1	Confident	3 Å²	3	73.8 Å²	73.8	2%	0.016	36%	0.361	C	S	.	.	H	α-helix	trans	-56	-51	176.1	-173.5	77.7	0	0	0	111	L231 E235 L318 H362 L369 K370	L231-L366 HydrophobicContact CB-CD1 3.79Å; L231-L366 HydrophobicContact CD2-CD1 4Å; L231-L366 HydrophobicContact CG-CD1 4.38Å; E235-L366 HydrophobicContact CB-CD2 4.12Å; E235-L366 HydrophobicContact CG-CD2 4.2Å; L318-L366 HydrophobicContact CD1-CD1 3.65Å; L318-L366 HydrophobicContact CD2-CB 4.01Å; L318-L366 HydrophobicContact CD2-CD1 4.28Å; H362-L366 WeakPolarHBondContact O-CB 3.28Å; H362-L366 PolarHBondContact O-N 2.8Å; L366-L369 PolarHBondContact O-N 2.98Å; L366-K370 WeakPolarHBondContact O-CB 3.49Å; L366-K370 WeakPolarHBondContact O-CG 3.45Å; L366-K370 PolarHBondContact O-N 3.02Å
367	N	92.1	Very high	84.8	Confident	72 Å²	72	67.1 Å²	67.1	39%	0.385	33%	0.326	S	S	.	.	H	α-helix	trans	-68.4	-37.4	-178.7	-73.4	-31.5	0	0	0	112.7	S363 L364 I365 K370 T371	S363-N367 VanDerWaalsContact O-CB 3.24Å; S363-N367 WeakPolarHBondContact O-CB 3.06Å; S363-N367 PolarHBondContact O-N 3.49Å; S363-N367 PolarHBondContact O-ND2 3.25Å; L364-N367 PolarHBondContact O-N 3.37Å; I365-N367 PolarHBondContact O-N 3.21Å; N367-K370 VanDerWaalsContact OD1-CE 3.31Å; N367-K370 WeakPolarHBondContact OD1-CE 3.43Å; N367-K370 PolarHBondContact OD1-NZ 3.38Å; N367-T371 VanDerWaalsContact O-CB 3.25Å; N367-T371 WeakPolarHBondContact O-CB 3.44Å; N367-T371 PolarHBondContact O-N 3.48Å; N367-T371 PolarHBondContact O-OG1 3.4Å
368	N	93.4	Very high	85.8	Confident	67 Å²	67	63.7 Å²	63.7	36%	0.358	32%	0.316	S	S	.	.	H	α-helix	trans	-63.6	-45.6	175.1	-74.2	-16.4	0	0	0	111.5	L364 I365 T371 L372	L364-N368 VanDerWaalsContact O-CB 3.3Å; L364-N368 WeakPolarHBondContact O-CB 3.49Å; L364-N368 PolarHBondContact O-N 3.26Å; L364-N368 PolarHBondContact O-ND2 3.49Å; I365-N368 PolarHBondContact O-N 3.19Å; N368-T371 PolarHBondContact O-N 2.03Å; N368-L372 VanDerWaalsContact O-CB 3.3Å; N368-L372 WeakPolarHBondContact O-CB 2.99Å; N368-L372 PolarHBondContact O-N 3.05Å
369	L	94.6	Very high	85.7	Confident	4 Å²	4	70 Å²	70	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-61.7	-50	175.7	-76.6	171.4	0	0	0	111.3	L231 C322 L341 Q344 L345 C348 I365 L366 T371 L372 L373	L231-L369 HydrophobicContact CD1-CB 3.95Å; C322-L369 VanDerWaalsContact SG-CD1 3.59Å; L341-L369 HydrophobicContact CD1-CD2 4.28Å; Q344-L369 HydrophobicContact CB-CD2 3.55Å; Q344-L369 HydrophobicContact CB-CG 4.21Å; L345-L369 HydrophobicContact CD2-CD2 4.45Å; L345-L369 HydrophobicContact CG-CD2 4.43Å; C348-L369 HydrophobicContact CB-CD1 4.14Å; I365-L369 HydrophobicContact CG2-CD1 3.89Å; I365-L369 HydrophobicContact CG2-CG 4.42Å; I365-L369 WeakPolarHBondContact O-CB 3.47Å; I365-L369 WeakPolarHBondContact O-CG 3.48Å; I365-L369 PolarHBondContact O-N 3.39Å; L366-L369 PolarHBondContact O-N 2.98Å; L369-T371 VanDerWaalsContact C-N 3.32Å; L369-T371 PolarHBondContact O-N 3.47Å; L369-L372 PolarHBondContact O-N 3.48Å; L369-L373 VanDerWaalsContact O-CG 3.3Å; L369-L373 WeakPolarHBondContact O-CG 3.45Å; L369-L373 PolarHBondContact O-N 2.92Å
370	K	94	Very high	85.3	Confident	36 Å²	36	65.7 Å²	65.7	16%	0.157	32%	0.321	C	S	.	.	H	α-helix	trans	-56.1	-47	176.5	-74.5	-171.5	-62.2	-174.6	0	111.1	L231 E232 E235 L366 N367 L373 W374	L231-K370 HydrophobicContact CB-CD 4.37Å; L231-K370 HydrophobicContact CB-CG 4.08Å; L231-K370 HydrophobicContact CD1-CG 3.92Å; E232-K370 HydrophobicContact CG-CD 4.44Å; E235-K370 IonicContact OE2-NZ 2.83Å; E235-K370 PolarHBondContact OE2-NZ 3.34Å; L366-K370 WeakPolarHBondContact O-CB 3.49Å; L366-K370 WeakPolarHBondContact O-CG 3.45Å; L366-K370 PolarHBondContact O-N 3.02Å; N367-K370 VanDerWaalsContact OD1-CE 3.31Å; N367-K370 WeakPolarHBondContact OD1-CE 3.43Å; N367-K370 PolarHBondContact OD1-NZ 3.38Å; K370-L373 PolarHBondContact O-N 2.77Å; K370-W374 VanDerWaalsContact O-CB 3.23Å; K370-W374 WeakPolarHBondContact O-CB 3.38Å; K370-W374 PolarHBondContact O-N 3.17Å
371	T	92.8	Very high	84.1	Confident	89 Å²	89	67.1 Å²	67.1	55%	0.546	33%	0.332	S	S	.	.	H	α-helix	trans	-64.6	-42.7	-179.4	-57.8	0	0	0	0	112.1	N367 N368 L369 W374 K375	N367-T371 VanDerWaalsContact O-CB 3.25Å; N367-T371 WeakPolarHBondContact O-CB 3.44Å; N367-T371 PolarHBondContact O-N 3.48Å; N367-T371 PolarHBondContact O-OG1 3.4Å; N368-T371 PolarHBondContact O-N 2.03Å; L369-T371 VanDerWaalsContact C-N 3.32Å; L369-T371 PolarHBondContact O-N 3.47Å; T371-W374 PolarHBondContact O-N 3.32Å; T371-K375 VanDerWaalsContact O-CB 3.24Å; T371-K375 WeakPolarHBondContact O-CB 3.07Å; T371-K375 PolarHBondContact O-N 2.77Å
372	L	92.5	Very high	82.5	Confident	30 Å²	30	68.6 Å²	68.6	16%	0.157	34%	0.343	C	S	.	.	H	α-helix	trans	-62.4	-44.1	178.7	-175.7	66	0	0	0	111.3	I337 E340 L341 N368 L369	I337-L372 HydrophobicContact CB-CD1 4.33Å; I337-L372 HydrophobicContact CG2-CD1 4.17Å; E340-L372 HydrophobicContact CB-CD2 4.48Å; E340-L372 HydrophobicContact CG-CD1 4.39Å; E340-L372 HydrophobicContact CG-CD2 4.17Å; L341-L372 HydrophobicContact CB-CD2 3.91Å; L341-L372 HydrophobicContact CD1-CD2 4.13Å; N368-L372 VanDerWaalsContact O-CB 3.3Å; N368-L372 WeakPolarHBondContact O-CB 2.99Å; N368-L372 PolarHBondContact O-N 3.05Å; L369-L372 PolarHBondContact O-N 3.48Å
373	L	93.4	Very high	80.4	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.005	39%	0.39	C	S	.	.	H	α-helix	trans	-67.4	-47.8	176.6	-65	176.7	0	0	0	111.2	W220 A224 A227 I228 L231 L329 L341 L369 K370 K375 K376 I377	W220-L373 HydrophobicContact CH2-CD2 3.97Å; W220-L373 HydrophobicContact CZ2-CD2 4.08Å; A224-L373 HydrophobicContact CB-CB 4.34Å; A224-L373 HydrophobicContact CB-CD2 4Å; A227-L373 HydrophobicContact CB-CD1 4.04Å; I228-L373 HydrophobicContact CD1-CB 3.75Å; I228-L373 HydrophobicContact CG1-CB 3.81Å; I228-L373 HydrophobicContact CG1-CD1 3.92Å; L231-L373 HydrophobicContact CD1-CD1 4.34Å; L329-L373 HydrophobicContact CD1-CD1 4.27Å; L329-L373 HydrophobicContact CD1-CD2 4.23Å; L329-L373 HydrophobicContact CD2-CD2 4.28Å; L341-L373 HydrophobicContact CD1-CD2 4.27Å; L369-L373 VanDerWaalsContact O-CG 3.3Å; L369-L373 WeakPolarHBondContact O-CG 3.45Å; L369-L373 PolarHBondContact O-N 2.92Å; K370-L373 PolarHBondContact O-N 2.77Å; L373-K375 VanDerWaalsContact C-N 3.34Å; L373-K375 PolarHBondContact O-N 3.24Å; L373-K376 PolarHBondContact O-N 3.19Å; L373-I377 PolarHBondContact O-N 3.12Å
374	W	90.1	Very high	80.1	Confident	157 Å²	157	76.8 Å²	76.8	60%	0.595	40%	0.395	S	S	*	.	H	α-helix	trans	-59.2	-44.9	-179.5	-167.7	-102.3	0	0	0	111.9	I228 K370 T371 K376 I377 S378	I228-W374 HydrophobicContact CD1-CB 4.38Å; I228-W374 HydrophobicContact CD1-CE3 3.85Å; K370-W374 VanDerWaalsContact O-CB 3.23Å; K370-W374 WeakPolarHBondContact O-CB 3.38Å; K370-W374 PolarHBondContact O-N 3.17Å; T371-W374 PolarHBondContact O-N 3.32Å; W374-K376 PolarHBondContact O-N 3.37Å; W374-K376 VanDerWaalsContact O-N 3.11Å; W374-I377 HydrophobicContact CD2-CD1 4.36Å; W374-I377 HydrophobicContact CD2-CG1 4.43Å; W374-I377 HydrophobicContact CE3-CD1 3.61Å; W374-I377 HydrophobicContact CE3-CG1 4.15Å; W374-I377 HydrophobicContact CZ3-CD1 3.86Å; W374-I377 WeakPolarHBondContact O-CG1 3.36Å; W374-I377 PolarHBondContact O-N 2.63Å; W374-I377 VanDerWaalsContact O-N 3.16Å; W374-S378 WeakPolarHBondContact O-CB 3.28Å; W374-S378 PolarHBondContact O-N 2.9Å; W374-S378 PolarHBondContact O-OG 2.84Å
375	K	87.1	Confident	79.6	Confident	137 Å²	137	75.6 Å²	75.6	60%	0.596	39%	0.388	S	S	*	.	H	α-helix	trans	-56.9	-28.5	177.3	-175.7	179.5	179.4	-177.1	0	112.2	T371 L373 S378 Y379	T371-K375 VanDerWaalsContact O-CB 3.24Å; T371-K375 WeakPolarHBondContact O-CB 3.07Å; T371-K375 PolarHBondContact O-N 2.77Å; L373-K375 VanDerWaalsContact C-N 3.34Å; L373-K375 PolarHBondContact O-N 3.24Å; K375-S378 PolarHBondContact O-OG 3.08Å; K375-Y379 HydrophobicContact CG-CE2 4.14Å; K375-Y379 WeakPolarHBondContact O-CD2 3.42Å; K375-Y379 WeakPolarHBondContact O-CE2 3.34Å
376	K	83.8	Confident	79	Confident	68 Å²	68	78.7 Å²	78.7	30%	0.296	40%	0.404	S	S	.	.	H	α-helix	trans	-87.1	-33.9	179.4	-168	69.3	-171.2	-168.9	0	112.4	W220 P334 E336 I337 L373 W374	W220-K376 HydrophobicContact CE3-CG 4.2Å; W220-K376 HydrophobicContact CH2-CB 4.07Å; W220-K376 HydrophobicContact CH2-CG 4.09Å; W220-K376 HydrophobicContact CZ3-CB 3.72Å; W220-K376 HydrophobicContact CZ3-CG 3.42Å; W220-K376 VanDerWaalsContact CZ3-CG 3.42Å; P334-K376 HydrophobicContact CG-CD 4.23Å; P334-K376 HydrophobicContact CG-CG 4.26Å; E336-K376 IonicContact OE2-NZ 2.67Å; E336-K376 PolarHBondContact OE2-NZ 2.73Å; I337-K376 HydrophobicContact CD1-CB 4.17Å; I337-K376 HydrophobicContact CD1-CD 4.47Å; I337-K376 HydrophobicContact CD1-CG 4.09Å; L373-K376 PolarHBondContact O-N 3.19Å; W374-K376 PolarHBondContact O-N 3.37Å; W374-K376 VanDerWaalsContact O-N 3.11Å
377	I	86.8	Confident	78.3	Confident	19 Å²	19	83.2 Å²	83.2	10%	0.097	43%	0.427	C	S	.	.	H	α-helix	trans	-82	-25.7	-179.3	63.4	176.8	0	0	0	113.3	P221 A224 I228 L373 W374 Y379 T380	P221-I377 HydrophobicContact CB-CG2 4.11Å; P221-I377 WeakPolarHBondContact O-CG2 2.88Å; A224-I377 HydrophobicContact CB-CG2 3.68Å; I228-I377 HydrophobicContact CD1-CD1 3.69Å; L373-I377 PolarHBondContact O-N 3.12Å; W374-I377 HydrophobicContact CD2-CD1 4.36Å; W374-I377 HydrophobicContact CD2-CG1 4.43Å; W374-I377 HydrophobicContact CE3-CD1 3.61Å; W374-I377 HydrophobicContact CE3-CG1 4.15Å; W374-I377 HydrophobicContact CZ3-CD1 3.86Å; W374-I377 WeakPolarHBondContact O-CG1 3.36Å; W374-I377 PolarHBondContact O-N 2.63Å; W374-I377 VanDerWaalsContact O-N 3.16Å; I377-Y379 PolarHBondContact O-N 3.33Å; I377-T380 WeakPolarHBondContact CA-OG1 3.35Å; I377-T380 PolarHBondContact O-N 2.83Å; I377-T380 VanDerWaalsContact O-N 3.14Å; I377-T380 PolarHBondContact O-OG1 2.9Å
378	S	76.7	Confident	77.4	Confident	62 Å²	62	83.9 Å²	83.9	43%	0.434	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-19	179.5	63.7	0	0	0	0	114.2	W374 K375	W374-S378 WeakPolarHBondContact O-CB 3.28Å; W374-S378 PolarHBondContact O-N 2.9Å; W374-S378 PolarHBondContact O-OG 2.84Å; K375-S378 PolarHBondContact O-OG 3.08Å
379	Y	61.3	Low	76.4	Confident	185 Å²	185	85 Å²	85	73%	0.725	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-0.6	175.6	-61.9	-76.1	0	0	0	113.7	K375 I377	K375-Y379 HydrophobicContact CG-CE2 4.14Å; K375-Y379 WeakPolarHBondContact O-CD2 3.42Å; K375-Y379 WeakPolarHBondContact O-CE2 3.34Å; I377-Y379 PolarHBondContact O-N 3.33Å
380	T	60.2	Low	75.1	Confident	46 Å²	46	90.8 Å²	90.8	28%	0.282	46%	0.464	S	S	.	.	S	Bend	trans	-101.7	120.1	175.1	35.2	0	0	0	0	109.6	P221 I377 D382	P221-T380 HydrophobicContact CG-CG2 4.31Å; I377-T380 WeakPolarHBondContact CA-OG1 3.35Å; I377-T380 PolarHBondContact O-N 2.83Å; I377-T380 VanDerWaalsContact O-N 3.14Å; I377-T380 PolarHBondContact O-OG1 2.9Å; T380-D382 PolarHBondContact O-N 2.85Å
381	N	47.5	Very low	73.6	Confident	166 Å²	166	95 Å²	95	89%	0.888	49%	0.487	S	S	*	.	S	Bend	trans	-65.2	17.3	-179.3	-78.3	-14.3	0	0	0	115.2
382	D	46.2	Very low	72	Confident	127 Å²	127	95.5 Å²	95.5	68%	0.679	48%	0.482	S	S	*	.			trans	-103.8	37.9	-179.2	-69.2	-23.3	0	0	0	111.5	T380	T380-D382 PolarHBondContact O-N 2.85Å
383	S	38.5	Very low	70.1	Confident	148 Å²	148	101.5 Å²	101.5	100%	1.035	51%	0.512	S	S	*	.			trans	-73.1	0	176.5	-48.2	0	0	0	0	112.3

Retrieved 383 of 383 residues in 146.1 ms (Link to these results)

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