A0A087XGD1_POEFO Loading...

Chimaerin

GTPase-activating protein for p21-rac.

AlphaFold DB , UniProt , Accession A0A087XGD1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 465 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	32.1	Very low	29.8	Very low	239 Å²	239	130.7 Å²	130.7	100%	1.177	86%	0.861	S	S	*	*				0	102.5	0	-61.6	-175.8	-168.6	0	0	105.6
2	A	27.1	Very low	29.8	Very low	104 Å²	104	128.8 Å²	128.8	86%	0.86	85%	0.852	S	S	*	*				54.8	128.7	90.6	0	0	0	0	0	111
3	A	27.5	Very low	30.2	Very low	85 Å²	85	127.6 Å²	127.6	70%	0.702	85%	0.848	S	S	*	*			cis	-158.7	141.6	18.2	0	0	0	0	0	108.2
4	S	28	Very low	30.7	Very low	116 Å²	116	127.4 Å²	127.4	81%	0.811	84%	0.841	S	S	*	*				59.3	121.3	99	-49.8	0	0	0	0	117.4
5	S	29.5	Very low	31	Very low	126 Å²	126	125.8 Å²	125.8	88%	0.881	83%	0.833	S	S	*	*			trans	-155.9	114.4	145.1	-66.4	0	0	0	0	109.4
6	N	29.2	Very low	31.6	Very low	167 Å²	167	124.5 Å²	124.5	89%	0.893	83%	0.827	S	S	*	*			trans	-79	148.6	176	-82.2	-26	0	0	0	111.5
7	S	28.9	Very low	32	Very low	117 Å²	117	124.6 Å²	124.6	82%	0.818	82%	0.818	S	S	*	*			trans	-148.8	104.6	143.9	62.8	0	0	0	0	111.5
8	S	28.5	Very low	32.7	Very low	118 Å²	118	124.2 Å²	124.2	83%	0.825	82%	0.815	S	S	*	*			trans	-21.2	120.4	164.6	-40.9	0	0	0	0	117.4
9	L	30.8	Very low	33.2	Very low	176 Å²	176	126.3 Å²	126.3	92%	0.921	82%	0.818	S	S	*	*			trans	-82.7	109.6	157.4	-86.6	154.5	0	0	0	108.3	G11	L9-G11 PolarHBondContact O-N 3.45Å
10	S	31.2	Very low	33.5	Very low	113 Å²	113	126.8 Å²	126.8	79%	0.79	81%	0.814	S	S	*	*			trans	-67.6	115.4	167.3	51.2	0	0	0	0	109.2	S12	S10-S12 PolarHBondContact O-N 2.85Å
11	G	35.5	Very low	33.7	Very low	77 Å²	77	129.3 Å²	129.3	79%	0.794	81%	0.809	S	S	*	*			trans	-64.7	116.6	171	0	0	0	0	0	110.8	L9 S13	L9-G11 PolarHBondContact O-N 3.45Å; G11-S13 PolarHBondContact O-N 3.42Å
12	S	29.8	Very low	34.5	Very low	108 Å²	108	126 Å²	126	76%	0.755	79%	0.79	S	S	*	*			trans	-85.8	95.5	154.7	54.6	0	0	0	0	107.2	S10 V14	S10-S12 PolarHBondContact O-N 2.85Å; S12-V14 PolarHBondContact O-N 2.9Å
13	S	34.2	Very low	35.7	Very low	113 Å²	113	125.4 Å²	125.4	79%	0.79	78%	0.778	S	S	*	*			trans	-60.6	99.6	164.5	49.9	0	0	0	0	108.7	G11 S15	G11-S13 PolarHBondContact O-N 3.42Å; S13-S15 PolarHBondContact O-N 3.01Å; S13-S15 VanDerWaalsContact O-N 3.13Å
14	V	37.3	Very low	37.5	Very low	125 Å²	125	125.7 Å²	125.7	76%	0.758	77%	0.772	S	S	*	*			trans	-73.9	99.2	164.1	-179.1	0	0	0	0	106	S12 S16	S12-V14 PolarHBondContact O-N 2.9Å; V14-S16 PolarHBondContact O-N 3.4Å; V14-S16 VanDerWaalsContact O-N 3.09Å
15	S	36.3	Very low	39.7	Very low	103 Å²	103	124.6 Å²	124.6	72%	0.72	76%	0.756	S	S	*	*			trans	-64.8	99.2	161.6	51.3	0	0	0	0	107.5	S13 D17	S13-S15 PolarHBondContact O-N 3.01Å; S13-S15 VanDerWaalsContact O-N 3.13Å; S15-D17 PolarHBondContact O-N 2.8Å
16	S	39.6	Very low	41.9	Very low	105 Å²	105	124 Å²	124	73%	0.734	74%	0.735	S	S	*	*			trans	-76.7	104	167.5	53	0	0	0	0	108.1	V14	V14-S16 PolarHBondContact O-N 3.4Å; V14-S16 VanDerWaalsContact O-N 3.09Å
17	D	37.9	Very low	44.3	Very low	126 Å²	126	119.3 Å²	119.3	67%	0.674	71%	0.706	S	S	*	*			trans	-57.1	131.6	164.7	-85.8	-41.2	0	0	0	109	S15 D19	S15-D17 PolarHBondContact O-N 2.8Å; D17-D19 PolarHBondContact O-N 3.45Å; D17-D19 VanDerWaalsContact O-N 3.13Å
18	P	45.5	Very low	46.8	Very low	118 Å²	118	116.5 Å²	116.5	77%	0.766	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.9	-5.1	-178.4	24.1	-30.6	0	0	0	114.5
19	D	42.6	Very low	49.6	Very low	163 Å²	163	114.8 Å²	114.8	87%	0.872	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-2.4	-175.9	-83.1	-27.2	0	0	0	115.2	D17	D17-D19 PolarHBondContact O-N 3.45Å; D17-D19 VanDerWaalsContact O-N 3.13Å
20	D	39.4	Very low	52.4	Low	137 Å²	137	106.4 Å²	106.4	73%	0.733	62%	0.619	S	S	*	*			trans	-108.6	14.8	-179	-150.7	21.1	0	0	0	113.9	Q22	D20-Q22 PolarHBondContact O-N 3.45Å; D20-Q22 VanDerWaalsContact O-N 3.1Å
21	Y	38	Very low	55	Low	180 Å²	180	105 Å²	105	71%	0.706	60%	0.597	S	S	*	*			trans	-77.4	97.5	175.7	-174.5	-97.8	0	0	0	111	P23	Y21-P23 HydrophobicContact CE1-CB 4.16Å; Y21-P23 WeakPolarHBondContact O-CD 3.48Å
22	Q	47.2	Very low	57.3	Low	169 Å²	169	106.1 Å²	106.1	79%	0.79	58%	0.581	S	S	*	*			trans	-82.3	115.8	165.5	-70.3	-171.6	-8.7	0	0	110	D20	D20-Q22 PolarHBondContact O-N 3.45Å; D20-Q22 VanDerWaalsContact O-N 3.1Å
23	P	53.5	Low	60.2	Low	92 Å²	92	101.2 Å²	101.2	60%	0.597	55%	0.547	S	S	*	.			trans	-63	147.3	176.4	25.9	-32.9	0	0	0	110.5	Y21 I25	Y21-P23 HydrophobicContact CE1-CB 4.16Å; Y21-P23 WeakPolarHBondContact O-CD 3.48Å; P23-I25 PolarHBondContact O-N 2.64Å
24	P	64.4	Low	62.9	Low	90 Å²	90	97.5 Å²	97.5	58%	0.584	52%	0.517	S	S	*	.			trans	-60	137.3	178.4	25.1	-33.4	0	0	0	110.4	W26	P24-W26 PolarHBondContact O-N 2.96Å
25	I	73.8	Confident	65.3	Low	93 Å²	93	97.3 Å²	97.3	48%	0.477	51%	0.508	S	S	.	.	S	Bend	trans	-52.4	-44.3	178.7	-68.8	157.1	0	0	0	110.6	P23 I152 L156 A229	P23-I25 PolarHBondContact O-N 2.64Å; I25-I152 HydrophobicContact CG2-CD1 4.28Å; I25-L156 HydrophobicContact CD1-CD2 4.16Å; I25-L156 HydrophobicContact CG2-CD1 3.68Å; I25-L156 HydrophobicContact CG2-CD2 4.08Å; I25-L156 HydrophobicContact CG2-CG 4.34Å; I25-A229 WeakPolarHBondContact O-CB 3.44Å
26	W	75.6	Confident	67.9	Low	115 Å²	115	97.3 Å²	97.3	44%	0.436	50%	0.496	S	S	.	.	S	Bend	trans	-85.3	118.8	-178.6	-54.7	117.3	0	0	0	111.8	P24 I152 W224 E226 A229	P24-W26 PolarHBondContact O-N 2.96Å; W26-I152 HydrophobicContact CH2-CD1 4.43Å; W26-I152 HydrophobicContact CZ3-CD1 3.94Å; W26-W224 HydrophobicContact CB-CG 4.23Å; W26-W224 HydrophobicContact CD2-CB 4.08Å; W26-W224 HydrophobicContact CD2-CG 4.38Å; W26-W224 HydrophobicContact CE3-CB 3.43Å; W26-W224 VanDerWaalsContact CE3-CB 3.43Å; W26-W224 HydrophobicContact CE3-CG 4.02Å; W26-W224 HydrophobicContact CG-CG 4.49Å; W26-W224 HydrophobicContact CZ3-CB 3.82Å; W26-E226 HydrophobicContact CH2-CG 4.29Å; W26-A229 HydrophobicContact CE3-CB 4.1Å; W26-A229 HydrophobicContact CZ3-CB 4.41Å
27	K	80.8	Confident	70.6	Confident	68 Å²	68	92.9 Å²	92.9	30%	0.296	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-82.4	125.6	-176.7	-61.7	166	-174.7	166.6	0	110	W224 C228 A229 N230	K27-W224 PolarHBondContact O-NE1 2.98Å; K27-C228 PolarHBondContact NZ-O 3.27Å; K27-C228 VanDerWaalsContact NZ-O 3.09Å; K27-A229 HydrophobicContact CD-CB 4.35Å; K27-A229 HydrophobicContact CG-CB 4.41Å; K27-A229 PolarHBondContact N-O 3.35Å; K27-N230 WeakPolarHBondContact CB-OD1 3.17Å
28	S	80.4	Confident	73.4	Confident	57 Å²	57	88 Å²	88	40%	0.399	44%	0.441	S	S	.	.			trans	-91.4	-11.1	-175.1	57.2	0	0	0	0	114.6	L30 Y31 Q32	S28-L30 PolarHBondContact O-N 3.12Å; S28-Y31 WeakPolarHBondContact O-CA 3.44Å; S28-Y31 WeakPolarHBondContact O-CB 3.44Å; S28-Y31 PolarHBondContact O-N 3.17Å; S28-Q32 PolarHBondContact O-N 3.33Å
29	Y	87.9	Confident	75.7	Confident	83 Å²	83	92 Å²	92	33%	0.325	44%	0.441	S	S	.	.	H	α-helix	trans	-54	-52.8	-171.1	179	-127.3	0	0	0	113.6	Y31 Q32 L33 A140 Y143	Y29-Y31 VanDerWaalsContact C-N 3.27Å; Y29-Y31 PolarHBondContact O-N 2.78Å; Y29-Q32 PolarHBondContact O-N 3.42Å; Y29-L33 HydrophobicContact CD1-CD1 4.46Å; Y29-L33 HydrophobicContact CD2-CG 4.48Å; Y29-L33 HydrophobicContact CE1-CD1 3.96Å; Y29-L33 HydrophobicContact CE2-CD1 4.07Å; Y29-L33 HydrophobicContact CE2-CD2 4.29Å; Y29-L33 HydrophobicContact CE2-CG 4.15Å; Y29-L33 WeakPolarHBondContact O-CG 3.17Å; Y29-L33 PolarHBondContact O-N 3.5Å; Y29-L33 VanDerWaalsContact O-N 3.07Å; Y29-A140 HydrophobicContact CE1-CB 3.74Å; Y29-Y143 AromaticContact CD1-CD1 3.68Å; Y29-Y143 HydrophobicContact CD1-CD1 3.68Å; Y29-Y143 HydrophobicContact CD1-CD2 4.06Å; Y29-Y143 AromaticContact CD1-CE1 3.73Å; Y29-Y143 HydrophobicContact CD1-CE1 3.73Å; Y29-Y143 HydrophobicContact CD1-CE2 4.1Å; Y29-Y143 AromaticContact CD1-CG 3.83Å; Y29-Y143 HydrophobicContact CD1-CG 3.83Å; Y29-Y143 AromaticContact CD1-CZ 3.93Å; Y29-Y143 AromaticContact CE1-CD1 3.98Å; Y29-Y143 HydrophobicContact CE1-CD1 3.98Å; Y29-Y143 HydrophobicContact CE1-CD2 4.2Å; Y29-Y143 HydrophobicContact CE1-CE1 4.48Å; Y29-Y143 AromaticContact CE1-CG 3.81Å; Y29-Y143 HydrophobicContact CE1-CG 3.81Å
30	L	89.3	Confident	78.3	Confident	0 Å²	0	85.2 Å²	85.2	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-68.6	-26.3	179.7	-57.2	-176.2	0	0	0	113	S28 L33 Q34 I136 A140 Y143 I144 N230 F231 W233	S28-L30 PolarHBondContact O-N 3.12Å; L30-L33 HydrophobicContact CD2-CD1 4.2Å; L30-Q34 PolarHBondContact O-N 3.45Å; L30-Q34 VanDerWaalsContact O-N 3.13Å; L30-I136 HydrophobicContact CD2-CG2 4.11Å; L30-A140 HydrophobicContact CD2-CB 3.86Å; L30-Y143 HydrophobicContact CD1-CE1 4.48Å; L30-Y143 HydrophobicContact CD2-CD1 3.97Å; L30-Y143 HydrophobicContact CD2-CE1 4.18Å; L30-Y143 HydrophobicContact CG-CD1 4.41Å; L30-Y143 HydrophobicContact CG-CE1 4.14Å; L30-I144 HydrophobicContact CD1-CG1 4.49Å; L30-I144 HydrophobicContact CD2-CG1 4.22Å; L30-N230 HydrophobicContact CD1-CB 4.06Å; L30-F231 HydrophobicContact CB-CB 4.15Å; L30-F231 HydrophobicContact CB-CD1 4.4Å; L30-W233 HydrophobicContact CD1-CE3 3.76Å; L30-W233 HydrophobicContact CD1-CZ3 3.63Å
31	Y	86.3	Confident	81	Confident	82 Å²	82	84.1 Å²	84.1	32%	0.322	40%	0.395	S	S	.	.	H	α-helix	trans	-68.1	-45.3	173	173	-105.6	0	0	0	110.8	S28 Y29 L33 Q34 Q35 P222 W224 F231	S28-Y31 WeakPolarHBondContact O-CA 3.44Å; S28-Y31 WeakPolarHBondContact O-CB 3.44Å; S28-Y31 PolarHBondContact O-N 3.17Å; Y29-Y31 VanDerWaalsContact C-N 3.27Å; Y29-Y31 PolarHBondContact O-N 2.78Å; Y31-L33 VanDerWaalsContact C-N 3.33Å; Y31-L33 PolarHBondContact O-N 3Å; Y31-Q34 PolarHBondContact O-N 3.33Å; Y31-Q35 HydrophobicContact CE1-CG 4.3Å; Y31-Q35 HydrophobicContact CE2-CG 4.37Å; Y31-Q35 WeakPolarHBondContact O-CG 3.42Å; Y31-Q35 PolarHBondContact O-N 3.03Å; Y31-P222 HydrophobicContact CD2-CB 4.45Å; Y31-P222 HydrophobicContact CE2-CB 4.15Å; Y31-W224 HydrophobicContact CG-CZ2 4.37Å; Y31-F231 VanDerWaalsContact CA-CD1 3.45Å; Y31-F231 HydrophobicContact CD2-CD1 4.41Å; Y31-F231 HydrophobicContact CD2-CD2 4.05Å; Y31-F231 HydrophobicContact CD2-CE1 4.07Å; Y31-F231 AromaticContact CD2-CE2 3.71Å; Y31-F231 HydrophobicContact CD2-CE2 3.71Å; Y31-F231 HydrophobicContact CD2-CG 4.39Å; Y31-F231 AromaticContact CD2-CZ 3.73Å; Y31-F231 HydrophobicContact CD2-CZ 3.73Å; Y31-F231 HydrophobicContact CG-CD2 4.46Å
32	Q	82.9	Confident	83.9	Confident	101 Å²	101	81.7 Å²	81.7	47%	0.472	38%	0.384	S	S	.	.	H	α-helix	trans	-58.9	-45.2	175.6	-69.3	173.4	-18.5	0	0	111.3	S28 Y29 Q34 Q35 E36	S28-Q32 PolarHBondContact O-N 3.33Å; Y29-Q32 PolarHBondContact O-N 3.42Å; Q32-Q34 VanDerWaalsContact C-N 3.32Å; Q32-Q34 PolarHBondContact O-N 2.75Å; Q32-Q35 WeakPolarHBondContact O-CB 3.46Å; Q32-Q35 PolarHBondContact O-N 2.86Å; Q32-E36 WeakPolarHBondContact O-CG 3.22Å; Q32-E36 PolarHBondContact O-N 3.32Å; Q32-E36 VanDerWaalsContact O-N 3.07Å
33	L	90.5	Very high	86.2	Confident	6 Å²	6	74.9 Å²	74.9	3%	0.031	35%	0.353	C	S	.	.	H	α-helix	trans	-60.8	-37.7	176.6	-67.7	-179.4	0	0	0	113.3	Y29 L30 Y31 Q35 E36 A37 Y135 I136 K139 A140	Y29-L33 HydrophobicContact CD1-CD1 4.46Å; Y29-L33 HydrophobicContact CD2-CG 4.48Å; Y29-L33 HydrophobicContact CE1-CD1 3.96Å; Y29-L33 HydrophobicContact CE2-CD1 4.07Å; Y29-L33 HydrophobicContact CE2-CD2 4.29Å; Y29-L33 HydrophobicContact CE2-CG 4.15Å; Y29-L33 WeakPolarHBondContact O-CG 3.17Å; Y29-L33 PolarHBondContact O-N 3.5Å; Y29-L33 VanDerWaalsContact O-N 3.07Å; L30-L33 HydrophobicContact CD2-CD1 4.2Å; Y31-L33 VanDerWaalsContact C-N 3.33Å; Y31-L33 PolarHBondContact O-N 3Å; L33-Q35 VanDerWaalsContact C-N 3.29Å; L33-Q35 PolarHBondContact O-N 3.39Å; L33-E36 PolarHBondContact O-N 3.01Å; L33-A37 PolarHBondContact O-N 3.35Å; L33-A37 VanDerWaalsContact O-N 3.08Å; L33-Y135 HydrophobicContact CD2-CE1 4.26Å; L33-Y135 VanDerWaalsContact O-CD1 3.28Å; L33-Y135 WeakPolarHBondContact O-CD1 3.45Å; L33-Y135 WeakPolarHBondContact O-CE1 3.3Å; L33-I136 HydrophobicContact CB-CG1 3.83Å; L33-K139 HydrophobicContact CD1-CB 4.3Å; L33-K139 HydrophobicContact CD2-CB 4.25Å; L33-K139 HydrophobicContact CD2-CD 3.75Å; L33-A140 HydrophobicContact CD1-CB 3.63Å
34	Q	91.4	Very high	88.2	Confident	35 Å²	35	73.8 Å²	73.8	16%	0.164	34%	0.344	C	S	.	.	H	α-helix	trans	-62.2	-38.9	174.4	-176.7	166.8	-69.1	0	0	111.9	L30 Y31 Q32 E36 A37 I132 I136 F231 W233	L30-Q34 PolarHBondContact O-N 3.45Å; L30-Q34 VanDerWaalsContact O-N 3.13Å; Y31-Q34 PolarHBondContact O-N 3.33Å; Q32-Q34 VanDerWaalsContact C-N 3.32Å; Q32-Q34 PolarHBondContact O-N 2.75Å; Q34-E36 VanDerWaalsContact C-N 3.31Å; Q34-A37 WeakPolarHBondContact O-CB 3.33Å; Q34-A37 PolarHBondContact O-N 3.37Å; Q34-I132 HydrophobicContact CB-CG2 4.4Å; Q34-I132 HydrophobicContact CG-CD1 4.04Å; Q34-I132 HydrophobicContact CG-CG1 4.14Å; Q34-I132 HydrophobicContact CG-CG2 3.78Å; Q34-I136 HydrophobicContact CB-CD1 3.97Å; Q34-F231 HydrophobicContact CB-CE1 4.17Å; Q34-W233 VanDerWaalsContact OE1-CA 3.3Å
35	Q	87.2	Confident	89.5	Confident	120 Å²	120	70.2 Å²	70.2	56%	0.561	32%	0.322	S	S	*	.	H	α-helix	trans	-70.1	-29.6	179.3	-61.2	-57.8	107.9	0	0	112.6	Y31 Q32 L33	Y31-Q35 HydrophobicContact CE1-CG 4.3Å; Y31-Q35 HydrophobicContact CE2-CG 4.37Å; Y31-Q35 WeakPolarHBondContact O-CG 3.42Å; Y31-Q35 PolarHBondContact O-N 3.03Å; Q32-Q35 WeakPolarHBondContact O-CB 3.46Å; Q32-Q35 PolarHBondContact O-N 2.86Å; L33-Q35 VanDerWaalsContact C-N 3.29Å; L33-Q35 PolarHBondContact O-N 3.39Å
36	E	92.5	Very high	90.1	Very high	104 Å²	104	71.7 Å²	71.7	49%	0.486	34%	0.337	S	S	.	.	H	α-helix	trans	-80.6	-15.1	175.1	-68.7	174.9	-161.3	0	0	113.7	Q32 L33 Q34 Y135 K139	Q32-E36 WeakPolarHBondContact O-CG 3.22Å; Q32-E36 PolarHBondContact O-N 3.32Å; Q32-E36 VanDerWaalsContact O-N 3.07Å; L33-E36 PolarHBondContact O-N 3.01Å; Q34-E36 VanDerWaalsContact C-N 3.31Å; E36-Y135 HydrophobicContact CB-CE1 3.67Å; E36-Y135 WeakPolarHBondContact CB-OH 3.4Å; E36-Y135 PolarHBondContact OE2-OH 3.49Å; E36-K139 IonicContact OE2-NZ 3.86Å; E36-K139 PolarHBondContact OE2-NZ 3.5Å
37	A	95.1	Very high	90.5	Very high	12 Å²	12	72.8 Å²	72.8	10%	0.099	35%	0.347	C	S	.	.	S	Bend	trans	-59.6	141.7	-175.1	0	0	0	0	0	111.8	L33 Q34 I132 Y135	L33-A37 PolarHBondContact O-N 3.35Å; L33-A37 VanDerWaalsContact O-N 3.08Å; Q34-A37 WeakPolarHBondContact O-CB 3.33Å; Q34-A37 PolarHBondContact O-N 3.37Å; A37-I132 HydrophobicContact CB-CG1 4.05Å; A37-Y135 HydrophobicContact CB-CD1 3.96Å; A37-Y135 HydrophobicContact CB-CG 3.99Å
38	P	96.1	Very high	90.4	Very high	22 Å²	22	78.4 Å²	78.4	14%	0.143	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-61.8	140.7	179.7	24.5	-33	0	0	0	110.9	E77 F98 L131 Y135	P38-E77 HydrophobicContact CB-CG 4.03Å; P38-E77 HydrophobicContact CG-CG 4.35Å; P38-F98 HydrophobicContact CG-CD2 4.24Å; P38-F98 HydrophobicContact CG-CE2 4.15Å; P38-L131 HydrophobicContact CG-CB 4.32Å; P38-L131 HydrophobicContact CG-CD2 4.07Å; P38-L131 WeakPolarHBondContact O-CB 3.38Å; P38-L131 WeakPolarHBondContact O-CD1 3.47Å; P38-Y135 VanDerWaalsContact CD-CD2 3.44Å; P38-Y135 HydrophobicContact CG-CD2 4.4Å
39	R	94.6	Very high	90.3	Very high	203 Å²	203	78 Å²	78	77%	0.766	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-86.3	149.1	177.7	-62.6	-173.7	-178.3	-167.2	0.8	111.1	K41	R39-K41 PolarHBondContact O-N 3.11Å
40	P	97.4	Very high	89.7	Confident	21 Å²	21	83.8 Å²	83.8	14%	0.136	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-60.2	127.1	176	-17.9	26.9	0	0	0	111.8	Y80 V127 T128 L131	P40-Y80 HydrophobicContact CB-CD1 4.09Å; P40-Y80 HydrophobicContact CB-CE1 3.64Å; P40-V127 HydrophobicContact CB-CB 4.26Å; P40-V127 HydrophobicContact CB-CG1 3.76Å; P40-V127 HydrophobicContact CG-CB 4.35Å; P40-V127 HydrophobicContact CG-CG1 4.06Å; P40-T128 WeakPolarHBondContact CG-OG1 3.4Å; P40-L131 HydrophobicContact CB-CD1 4.4Å; P40-L131 HydrophobicContact CG-CD1 4.24Å
41	K	96.9	Very high	89.3	Confident	114 Å²	114	87.8 Å²	87.8	50%	0.496	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	97.7	172.8	-64.4	174.8	-169.4	154.9	0	108.9	R39 I43 E77 G78 A79 Y80	R39-K41 PolarHBondContact O-N 3.11Å; K41-I43 PolarHBondContact O-N 3.02Å; K41-E77 WeakPolarHBondContact CD-O 3.43Å; K41-E77 WeakPolarHBondContact CE-O 3.36Å; K41-E77 PolarHBondContact NZ-O 2.91Å; K41-G78 PolarHBondContact N-O 3.44Å; K41-A79 HydrophobicContact CB-CB 4.36Å; K41-A79 CarbonylContact O-C 3.35Å; K41-A79 WeakPolarHBondContact O-CA 3.48Å; K41-Y80 PolarHBondContact O-N 2.88Å
42	R	97.3	Very high	89.4	Confident	129 Å²	129	88.5 Å²	88.5	49%	0.487	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	122.1	178.8	-179.6	173.9	65	-155.8	-5.5	110.5	E59 Y80	R42-E59 VanDerWaalsContact CD-OE2 3.29Å; R42-E59 WeakPolarHBondContact CD-OE2 3.14Å; R42-E59 HydrophobicContact CG-CB 3.81Å; R42-E59 IonicContact NH1-OE2 3.78Å; R42-Y80 HydrophobicContact CB-CE1 3.83Å
43	I	97.1	Very high	89.8	Confident	26 Å²	26	84.8 Å²	84.8	13%	0.133	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-77.3	125.2	163	-55.3	-54	0	0	0	107.4	K41 H61 L73 K76 A79 Y80 L81	K41-I43 PolarHBondContact O-N 3.02Å; I43-H61 PolarHBondContact O-CE1 2.86Å; I43-L73 HydrophobicContact CG1-CD2 3.77Å; I43-K76 HydrophobicContact CD1-CD 4Å; I43-A79 HydrophobicContact CD1-CB 3.91Å; I43-A79 HydrophobicContact CG1-CB 4.12Å; I43-Y80 PolarHBondContact N-O 3.19Å; I43-L81 HydrophobicContact CB-CB 4.32Å
44	T	94.4	Very high	89.8	Confident	68 Å²	68	94.8 Å²	94.8	42%	0.417	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-96.7	123.8	-175.1	-57.2	0	0	0	0	108.8	R58	T44-R58 HydrophobicContact CG2-CB 3.73Å; T44-R58 HydrophobicContact CG2-CG 4.43Å
45	C	91.8	Very high	89.8	Confident	16 Å²	16	97 Å²	97	11%	0.108	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-67.1	125.7	172.9	-171.8	0	0	0	0	109.3	Q47 M49 R58 F60	C45-Q47 VanDerWaalsContact C-N 3.29Å; C45-Q47 PolarHBondContact O-N 3.25Å; C45-M49 VanDerWaalsContact SG-CE 3.57Å; C45-R58 PolarHBondContact N-O 2.97Å; C45-F60 VanDerWaalsContact CB-O 3.28Å; C45-F60 WeakPolarHBondContact CB-O 3.23Å
46	P	86	Confident	90.1	Very high	123 Å²	123	91.7 Å²	91.7	80%	0.799	44%	0.437	S	S	*	.	S	Bend	trans	-77.4	-14.7	-178.5	30.1	-34.3	0	0	0	113.4
47	Q	84.1	Confident	90.1	Very high	139 Å²	139	87.9 Å²	87.9	65%	0.65	43%	0.426	S	S	*	.	S	Bend	trans	-102.6	137.7	-177.2	-65.6	176.6	-5.5	0	0	110.7	C45	C45-Q47 VanDerWaalsContact C-N 3.29Å; C45-Q47 PolarHBondContact O-N 3.25Å
48	E	78.6	Confident	90	Very high	186 Å²	186	95 Å²	95	87%	0.869	45%	0.45	S	S	*	.			trans	-77.6	123.3	166.3	-72	-166.8	152.9	0	0	109.5
49	M	78.3	Confident	89.9	Confident	48 Å²	48	94.6 Å²	94.6	24%	0.236	45%	0.446	C	S	.	.			trans	-110.1	121.7	-176.9	-66.1	178.8	174.1	0	0	110.6	C45 S51 R52 F60 H61 G62	C45-M49 VanDerWaalsContact SG-CE 3.57Å; M49-S51 VanDerWaalsContact C-N 3.27Å; M49-S51 PolarHBondContact O-N 3.33Å; M49-R52 HydrophobicContact CB-CB 4.29Å; M49-R52 WeakPolarHBondContact O-CB 3.27Å; M49-R52 PolarHBondContact O-N 2.74Å; M49-F60 HydrophobicContact SD-CD1 4.23Å; M49-F60 HydrophobicContact SD-CE1 4.4Å; M49-H61 VanDerWaalsContact CE-C 3.49Å; M49-H61 VanDerWaalsContact CE-O 3.24Å; M49-H61 WeakPolarHBondContact CE-O 3.24Å; M49-H61 VanDerWaalsContact SD-C 3.54Å; M49-G62 PolarHBondContact SD-N 3.38Å
50	E	75.7	Confident	90	Very high	204 Å²	204	85 Å²	85	95%	0.953	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-30.6	174.8	-68.9	-176.2	169.4	0	0	112.4	R52	E50-R52 PolarHBondContact O-N 3.39Å
51	S	81.8	Confident	89.9	Confident	84 Å²	84	84.6 Å²	84.6	59%	0.587	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-1.4	179.4	59.2	0	0	0	0	114.3	M49 P53	M49-S51 VanDerWaalsContact C-N 3.27Å; M49-S51 PolarHBondContact O-N 3.33Å; S51-P53 WeakPolarHBondContact O-CD 3.35Å
52	R	88.9	Confident	89.7	Confident	97 Å²	97	79.3 Å²	79.3	37%	0.366	38%	0.384	S	S	.	.			trans	-68.5	123.6	-176.2	179.1	171.4	58.6	140.6	1.1	111.2	M49 E50 K54 Y56 G57 F60	M49-R52 HydrophobicContact CB-CB 4.29Å; M49-R52 WeakPolarHBondContact O-CB 3.27Å; M49-R52 PolarHBondContact O-N 2.74Å; E50-R52 PolarHBondContact O-N 3.39Å; R52-K54 PolarHBondContact O-N 3.11Å; R52-Y56 PolarHBondContact NH1-O 3.31Å; R52-G57 VanDerWaalsContact CD-O 3.29Å; R52-G57 WeakPolarHBondContact CD-O 3.44Å; R52-G57 PolarHBondContact NH1-O 3.03Å; R52-F60 HydrophobicContact CB-CD1 3.8Å; R52-F60 HydrophobicContact CB-CE1 4.2Å; R52-F60 HydrophobicContact CG-CB 4.07Å; R52-F60 HydrophobicContact CG-CD1 3.69Å; R52-F60 HydrophobicContact CG-CE1 4.44Å; R52-F60 HydrophobicContact CG-CG 4.08Å
53	P	90.9	Very high	89.4	Confident	24 Å²	24	77.7 Å²	77.7	16%	0.156	38%	0.383	C	S	.	.			trans	-58.7	137.3	171.4	-22.9	32.7	0	0	0	111.8	S51 Y55 Y56	S51-P53 WeakPolarHBondContact O-CD 3.35Å; P53-Y55 HydrophobicContact CB-CD1 4.17Å; P53-Y55 HydrophobicContact CB-CD2 4.17Å; P53-Y55 HydrophobicContact CB-CE1 3.68Å; P53-Y55 HydrophobicContact CB-CE2 3.71Å; P53-Y55 HydrophobicContact CB-CG 4.4Å; P53-Y55 VanDerWaalsContact CB-CZ 3.43Å; P53-Y55 HydrophobicContact CG-CE2 4.45Å; P53-Y55 PolarHBondContact O-N 2.92Å; P53-Y56 HydrophobicContact CB-CD2 3.91Å; P53-Y56 HydrophobicContact CB-CE2 4.35Å; P53-Y56 HydrophobicContact CG-CD2 3.83Å; P53-Y56 HydrophobicContact CG-CE2 4.14Å; P53-Y56 PolarHBondContact O-N 3.15Å
54	K	89.9	Confident	89.2	Confident	215 Å²	215	77.7 Å²	77.7	94%	0.935	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-24.5	-174.8	-66.3	-175.9	179.1	-179.8	0	114.6	R52	R52-K54 PolarHBondContact O-N 3.11Å
55	Y	91.4	Very high	89.1	Confident	83 Å²	83	76 Å²	76	33%	0.325	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-0.8	-179.6	49	-98.5	0	0	0	113.6	P53 Y109 H113	P53-Y55 HydrophobicContact CB-CD1 4.17Å; P53-Y55 HydrophobicContact CB-CD2 4.17Å; P53-Y55 HydrophobicContact CB-CE1 3.68Å; P53-Y55 HydrophobicContact CB-CE2 3.71Å; P53-Y55 HydrophobicContact CB-CG 4.4Å; P53-Y55 VanDerWaalsContact CB-CZ 3.43Å; P53-Y55 HydrophobicContact CG-CE2 4.45Å; P53-Y55 PolarHBondContact O-N 2.92Å; Y55-Y109 AromaticContact CD1-CD1 3.8Å; Y55-Y109 HydrophobicContact CD1-CD1 3.8Å; Y55-Y109 AromaticContact CD1-CE1 3.7Å; Y55-Y109 HydrophobicContact CD1-CE1 3.7Å; Y55-Y109 HydrophobicContact CD1-CG 4.38Å; Y55-Y109 HydrophobicContact CD2-CD1 4.15Å; Y55-Y109 HydrophobicContact CD2-CD2 4.05Å; Y55-Y109 HydrophobicContact CD2-CE2 4.4Å; Y55-Y109 AromaticContact CD2-CG 3.9Å; Y55-Y109 HydrophobicContact CD2-CG 3.9Å; Y55-Y109 AromaticContact CE1-CD1 3.98Å; Y55-Y109 HydrophobicContact CE1-CD1 3.98Å; Y55-Y109 HydrophobicContact CE1-CE1 4.28Å; Y55-Y109 HydrophobicContact CE2-CD1 4.29Å; Y55-Y109 HydrophobicContact CE2-CG 4.08Å; Y55-Y109 AromaticContact CG-CD1 3.89Å; Y55-Y109 HydrophobicContact CG-CD1 3.89Å; Y55-Y109 HydrophobicContact CG-CD2 4.16Å; Y55-Y109 AromaticContact CG-CE1 3.83Å; Y55-Y109 HydrophobicContact CG-CE1 3.83Å; Y55-Y109 HydrophobicContact CG-CE2 4.09Å; Y55-Y109 HydrophobicContact CG-CG 4.05Å; Y55-Y109 AromaticContact CG-CZ 3.91Å; Y55-H113 PolarHBondContact O-CE1 3.26Å; Y55-H113 PolarHBondContact O-NE2 2.92Å
56	Y	93.4	Very high	89.1	Confident	8 Å²	8	81.3 Å²	81.3	3%	0.031	39%	0.392	C	S	.	.			trans	-108.3	142.1	171.6	-63.7	-45.2	0	0	0	112.3	R52 P53 F60 I82 H92 L107 H113 V123	R52-Y56 PolarHBondContact NH1-O 3.31Å; P53-Y56 HydrophobicContact CB-CD2 3.91Å; P53-Y56 HydrophobicContact CB-CE2 4.35Å; P53-Y56 HydrophobicContact CG-CD2 3.83Å; P53-Y56 HydrophobicContact CG-CE2 4.14Å; P53-Y56 PolarHBondContact O-N 3.15Å; Y56-F60 AromaticContact CD2-CD2 3.9Å; Y56-F60 HydrophobicContact CD2-CD2 3.9Å; Y56-F60 HydrophobicContact CD2-CE2 4.36Å; Y56-I82 HydrophobicContact CD1-CD1 3.42Å; Y56-I82 VanDerWaalsContact CD1-CD1 3.42Å; Y56-I82 HydrophobicContact CD2-CG2 4.43Å; Y56-I82 HydrophobicContact CE1-CD1 3.53Å; Y56-I82 HydrophobicContact CE2-CG2 4.22Å; Y56-I82 HydrophobicContact CG-CD1 4.05Å; Y56-H92 HydrophobicContact CE2-CB 4.03Å; Y56-H92 AromaticContact CE2-CD2 3.85Å; Y56-H92 AromaticContact CE2-CG 3.61Å; Y56-H92 AromaticContact CE2-ND1 3.83Å; Y56-L107 HydrophobicContact CE1-CD2 3.53Å; Y56-L107 HydrophobicContact CE1-CG 4.5Å; Y56-L107 WeakPolarHBondContact OH-CD2 3.26Å; Y56-H113 AromaticContact CD1-CE1 3.95Å; Y56-H113 AromaticContact CE1-CE1 3.81Å; Y56-H113 AromaticContact CE1-ND1 3.76Å; Y56-V123 HydrophobicContact CD1-CG2 4.01Å; Y56-V123 HydrophobicContact CE1-CG2 4.18Å
57	G	92.1	Very high	89.4	Confident	24 Å²	24	81.2 Å²	81.2	25%	0.247	38%	0.381	C	S	.	.			trans	-85.2	-151.2	177.8	0	0	0	0	0	113.1	R52 E59 F60	R52-G57 VanDerWaalsContact CD-O 3.29Å; R52-G57 WeakPolarHBondContact CD-O 3.44Å; R52-G57 PolarHBondContact NH1-O 3.03Å; G57-E59 VanDerWaalsContact C-OE2 3.23Å; G57-E59 VanDerWaalsContact CA-CD 3.5Å; G57-E59 WeakPolarHBondContact CA-OE1 3.18Å; G57-E59 VanDerWaalsContact CA-OE2 3.23Å; G57-E59 WeakPolarHBondContact CA-OE2 3.14Å; G57-E59 VanDerWaalsContact N-CD 3.34Å; G57-E59 PolarHBondContact N-OE1 2.91Å; G57-E59 PolarHBondContact O-N 3.27Å; G57-F60 PolarHBondContact O-N 3.49Å
58	R	92.9	Very high	89.9	Confident	161 Å²	161	80 Å²	80	61%	0.608	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-1.4	179.5	-61.9	-174.9	177.5	175.1	-2.3	113.1	T44 C45	T44-R58 HydrophobicContact CG2-CB 3.73Å; T44-R58 HydrophobicContact CG2-CG 4.43Å; C45-R58 PolarHBondContact N-O 2.97Å
59	E	95.1	Very high	90.6	Very high	13 Å²	13	71.2 Å²	71.2	6%	0.061	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-15.5	171.3	60.1	-83.4	-172.2	0	0	113.4	R42 G57 H61 Y80 I82	R42-E59 VanDerWaalsContact CD-OE2 3.29Å; R42-E59 WeakPolarHBondContact CD-OE2 3.14Å; R42-E59 HydrophobicContact CG-CB 3.81Å; R42-E59 IonicContact NH1-OE2 3.78Å; G57-E59 VanDerWaalsContact C-OE2 3.23Å; G57-E59 VanDerWaalsContact CA-CD 3.5Å; G57-E59 WeakPolarHBondContact CA-OE1 3.18Å; G57-E59 VanDerWaalsContact CA-OE2 3.23Å; G57-E59 WeakPolarHBondContact CA-OE2 3.14Å; G57-E59 VanDerWaalsContact N-CD 3.34Å; G57-E59 PolarHBondContact N-OE1 2.91Å; G57-E59 PolarHBondContact O-N 3.27Å; E59-H61 PolarHBondContact O-CE1 3.43Å; E59-H61 PolarHBondContact O-ND1 3.04Å; E59-Y80 HydrophobicContact CB-CE2 4.04Å; E59-Y80 HydrophobicContact CG-CE2 4.32Å; E59-I82 HydrophobicContact CG-CD1 3.81Å; E59-I82 HydrophobicContact CG-CG1 4.07Å; E59-I82 PolarHBondContact O-N 3.38Å
60	F	96.1	Very high	91.4	Very high	3 Å²	3	71 Å²	71	1%	0.013	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-80.4	123.4	-179.6	-174.3	-103.5	0	0	0	111.8	C45 M49 R52 Y56 G57 G62 I82 E84 H92	C45-F60 VanDerWaalsContact CB-O 3.28Å; C45-F60 WeakPolarHBondContact CB-O 3.23Å; M49-F60 HydrophobicContact SD-CD1 4.23Å; M49-F60 HydrophobicContact SD-CE1 4.4Å; R52-F60 HydrophobicContact CB-CD1 3.8Å; R52-F60 HydrophobicContact CB-CE1 4.2Å; R52-F60 HydrophobicContact CG-CB 4.07Å; R52-F60 HydrophobicContact CG-CD1 3.69Å; R52-F60 HydrophobicContact CG-CE1 4.44Å; R52-F60 HydrophobicContact CG-CG 4.08Å; Y56-F60 AromaticContact CD2-CD2 3.9Å; Y56-F60 HydrophobicContact CD2-CD2 3.9Å; Y56-F60 HydrophobicContact CD2-CE2 4.36Å; G57-F60 PolarHBondContact O-N 3.49Å; F60-G62 VanDerWaalsContact CE1-CA 3.47Å; F60-I82 CarbonylContact C-O 3.59Å; F60-I82 WeakPolarHBondContact CA-O 3.45Å; F60-I82 HydrophobicContact CD2-CB 4.22Å; F60-I82 HydrophobicContact CD2-CG2 3.77Å; F60-I82 HydrophobicContact CE2-CG2 4.3Å; F60-E84 HydrophobicContact CZ-CB 4.37Å; F60-H92 AromaticContact CE2-CD2 3.78Å
61	H	94.8	Very high	92.3	Very high	11 Å²	11	67.6 Å²	67.6	5%	0.051	31%	0.314	C	S	.	.			trans	-110.5	9.8	-177.5	-69.2	63.8	0	0	0	113.1	I43 M49 E59 I64 I82	I43-H61 PolarHBondContact O-CE1 2.86Å; M49-H61 VanDerWaalsContact CE-C 3.49Å; M49-H61 VanDerWaalsContact CE-O 3.24Å; M49-H61 WeakPolarHBondContact CE-O 3.24Å; M49-H61 VanDerWaalsContact SD-C 3.54Å; E59-H61 PolarHBondContact O-CE1 3.43Å; E59-H61 PolarHBondContact O-ND1 3.04Å; H61-I64 HydrophobicContact CB-CD1 3.81Å; H61-I64 HydrophobicContact CB-CG1 4.25Å; H61-I64 HydrophobicContact CB-CG2 4.4Å; H61-I64 WeakPolarHBondContact O-CG2 3.26Å; H61-I82 PolarHBondContact N-O 3.01Å
62	G	92.9	Very high	92.9	Very high	3 Å²	3	65.4 Å²	65.4	3%	0.031	30%	0.295	C	S	.	.			trans	66.2	-150.7	-178.7	0	0	0	0	0	112.6	M49 F60 I64 R83 E84	M49-G62 PolarHBondContact SD-N 3.38Å; F60-G62 VanDerWaalsContact CE1-CA 3.47Å; G62-I64 PolarHBondContact O-N 2.85Å; G62-I64 VanDerWaalsContact O-N 3.13Å; G62-R83 CarbonylContact O-C 3.52Å; G62-R83 WeakPolarHBondContact O-CA 3.48Å; G62-E84 PolarHBondContact O-N 3.06Å
63	M	91.9	Very high	93.2	Very high	96 Å²	96	60.8 Å²	60.8	47%	0.473	28%	0.278	S	S	.	.	S	Bend	trans	-85.9	79.5	-176.1	-168.6	-178.6	-66.4	0	0	111.3	E84 Q86	M63-E84 HydrophobicContact CB-CB 4.41Å; M63-Q86 HydrophobicContact CG-CB 4.44Å; M63-Q86 HydrophobicContact CG-CG 3.52Å; M63-Q86 HydrophobicContact SD-CG 4.04Å
64	I	92.9	Very high	93.3	Very high	25 Å²	25	64.5 Å²	64.5	13%	0.128	30%	0.3	C	S	.	.			trans	-101.2	153.6	172.9	59.4	167.1	0	0	0	112.2	H61 G62 Y68 A69 L72 L81 R83	H61-I64 HydrophobicContact CB-CD1 3.81Å; H61-I64 HydrophobicContact CB-CG1 4.25Å; H61-I64 HydrophobicContact CB-CG2 4.4Å; H61-I64 WeakPolarHBondContact O-CG2 3.26Å; G62-I64 PolarHBondContact O-N 2.85Å; G62-I64 VanDerWaalsContact O-N 3.13Å; I64-Y68 HydrophobicContact CB-CD1 3.98Å; I64-Y68 HydrophobicContact CD1-CD1 4.17Å; I64-Y68 HydrophobicContact CG2-CD1 3.9Å; I64-Y68 HydrophobicContact CG2-CE1 4.26Å; I64-A69 HydrophobicContact CD1-CB 3.87Å; I64-L72 HydrophobicContact CD1-CD1 4.39Å; I64-L81 HydrophobicContact CD1-CD1 4.01Å; I64-L81 HydrophobicContact CD1-CD2 4.48Å; I64-R83 HydrophobicContact CD1-CB 4.21Å; I64-R83 HydrophobicContact CG1-CB 3.59Å; I64-R83 HydrophobicContact CG1-CG 4.45Å
65	S	92.5	Very high	93.2	Very high	32 Å²	32	58.1 Å²	58.1	22%	0.224	30%	0.295	C	S	.	.			trans	-68.8	162.9	174.8	77.8	0	0	0	0	111.5	E67 Y68 A69	S65-E67 VanDerWaalsContact C-N 3.33Å; S65-E67 VanDerWaalsContact CB-OE2 3.27Å; S65-E67 WeakPolarHBondContact CB-OE2 3.31Å; S65-E67 PolarHBondContact OG-OE2 3.01Å; S65-Y68 WeakPolarHBondContact OG-CB 3.27Å; S65-Y68 PolarHBondContact OG-N 3.45Å; S65-Y68 VanDerWaalsContact OG-N 3.14Å; S65-A69 PolarHBondContact O-N 2.68Å; S65-A69 VanDerWaalsContact O-N 3.13Å
66	R	91.1	Very high	93.2	Very high	129 Å²	129	58.9 Å²	58.9	49%	0.487	30%	0.3	S	S	.	.	H	α-helix	trans	-67.7	-39.4	177.6	-178.4	178.8	176.9	168	1.3	110.6	A69 D70	R66-A69 WeakPolarHBondContact O-CB 3.43Å; R66-A69 PolarHBondContact O-N 2.92Å; R66-D70 VanDerWaalsContact O-CG 3.22Å; R66-D70 PolarHBondContact O-N 2.92Å
67	E	92.9	Very high	93.3	Very high	121 Å²	121	63 Å²	63	57%	0.565	32%	0.319	S	S	*	.	H	α-helix	trans	-63.5	-43.9	-178.8	-57.9	69.9	-149.5	0	0	110.4	S65 D70 E71	S65-E67 VanDerWaalsContact C-N 3.33Å; S65-E67 VanDerWaalsContact CB-OE2 3.27Å; S65-E67 WeakPolarHBondContact CB-OE2 3.31Å; S65-E67 PolarHBondContact OG-OE2 3.01Å; E67-D70 WeakPolarHBondContact O-CB 3.49Å; E67-D70 PolarHBondContact O-N 3.47Å; E67-E71 WeakPolarHBondContact O-CG 3.41Å; E67-E71 PolarHBondContact O-N 3.25Å
68	Y	93.8	Very high	93.5	Very high	114 Å²	114	61.8 Å²	61.8	45%	0.447	31%	0.308	S	S	.	.	H	α-helix	trans	-67.3	-38	175.9	-171.2	-114.3	0	0	0	112.2	I64 S65 D70 E71 L72	I64-Y68 HydrophobicContact CB-CD1 3.98Å; I64-Y68 HydrophobicContact CD1-CD1 4.17Å; I64-Y68 HydrophobicContact CG2-CD1 3.9Å; I64-Y68 HydrophobicContact CG2-CE1 4.26Å; S65-Y68 WeakPolarHBondContact OG-CB 3.27Å; S65-Y68 PolarHBondContact OG-N 3.45Å; S65-Y68 VanDerWaalsContact OG-N 3.14Å; Y68-D70 VanDerWaalsContact C-N 3.31Å; Y68-D70 PolarHBondContact O-N 3Å; Y68-E71 PolarHBondContact O-N 3.47Å; Y68-L72 HydrophobicContact CD1-CD1 4.12Å; Y68-L72 HydrophobicContact CE1-CD1 3.84Å; Y68-L72 HydrophobicContact CE1-CG 4.38Å; Y68-L72 WeakPolarHBondContact O-CG 3.39Å; Y68-L72 PolarHBondContact O-N 3.02Å; Y68-L72 VanDerWaalsContact O-N 3.17Å
69	A	94.3	Very high	93.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-62.6	-39.8	173	0	0	0	0	0	111.8	I64 S65 R66 L72 L73 L81	I64-A69 HydrophobicContact CD1-CB 3.87Å; S65-A69 PolarHBondContact O-N 2.68Å; S65-A69 VanDerWaalsContact O-N 3.13Å; R66-A69 WeakPolarHBondContact O-CB 3.43Å; R66-A69 PolarHBondContact O-N 2.92Å; A69-L72 PolarHBondContact O-N 3.03Å; A69-L73 WeakPolarHBondContact O-CB 3.35Å; A69-L73 WeakPolarHBondContact O-CG 3.37Å; A69-L73 PolarHBondContact O-N 3.42Å; A69-L81 HydrophobicContact CB-CD1 4.16Å
70	D	94.3	Very high	93.8	Very high	43 Å²	43	53.7 Å²	53.7	23%	0.23	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-47.4	175.9	-68.2	-21.6	0	0	0	110.5	R66 E67 Y68 L72 L73 V74 T102	R66-D70 VanDerWaalsContact O-CG 3.22Å; R66-D70 PolarHBondContact O-N 2.92Å; E67-D70 WeakPolarHBondContact O-CB 3.49Å; E67-D70 PolarHBondContact O-N 3.47Å; Y68-D70 VanDerWaalsContact C-N 3.31Å; Y68-D70 PolarHBondContact O-N 3Å; D70-L72 VanDerWaalsContact C-N 3.3Å; D70-L72 PolarHBondContact O-N 3.1Å; D70-L73 CarbonylContact O-C 3.54Å; D70-L73 PolarHBondContact O-N 3.17Å; D70-V74 WeakPolarHBondContact O-CG2 3.32Å; D70-V74 PolarHBondContact O-N 2.7Å; D70-T102 WeakPolarHBondContact OD1-CB 3.5Å; D70-T102 WeakPolarHBondContact OD1-CG2 3.44Å; D70-T102 PolarHBondContact OD1-OG1 3.13Å
71	E	94.9	Very high	93.9	Very high	133 Å²	133	53.5 Å²	53.5	62%	0.621	28%	0.276	S	S	*	.	H	α-helix	trans	-54.7	-41.2	175.8	-73	174.3	-174.6	0	0	113.3	E67 Y68 L73	E67-E71 WeakPolarHBondContact O-CG 3.41Å; E67-E71 PolarHBondContact O-N 3.25Å; Y68-E71 PolarHBondContact O-N 3.47Å; E71-L73 VanDerWaalsContact C-N 3.27Å; E71-L73 PolarHBondContact O-N 3.4Å
72	L	94.3	Very high	94	Very high	39 Å²	39	53 Å²	53	20%	0.204	27%	0.273	C	S	.	.	H	α-helix	trans	-67.4	-29.5	178.7	-67.9	175	0	0	0	113	I64 Y68 A69 D70 K76 L81	I64-L72 HydrophobicContact CD1-CD1 4.39Å; Y68-L72 HydrophobicContact CD1-CD1 4.12Å; Y68-L72 HydrophobicContact CE1-CD1 3.84Å; Y68-L72 HydrophobicContact CE1-CG 4.38Å; Y68-L72 WeakPolarHBondContact O-CG 3.39Å; Y68-L72 PolarHBondContact O-N 3.02Å; Y68-L72 VanDerWaalsContact O-N 3.17Å; A69-L72 PolarHBondContact O-N 3.03Å; D70-L72 VanDerWaalsContact C-N 3.3Å; D70-L72 PolarHBondContact O-N 3.1Å; L72-K76 PolarHBondContact O-NZ 2.63Å; L72-L81 HydrophobicContact CB-CD2 4.04Å; L72-L81 HydrophobicContact CD1-CD2 3.88Å
73	L	95	Very high	94.1	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-97.8	-18.5	-173.7	-69	178.4	0	0	0	114.1	I43 A69 D70 E71 G75 K76 A79 L81 A95 S97 T102	I43-L73 HydrophobicContact CG1-CD2 3.77Å; A69-L73 WeakPolarHBondContact O-CB 3.35Å; A69-L73 WeakPolarHBondContact O-CG 3.37Å; A69-L73 PolarHBondContact O-N 3.42Å; D70-L73 CarbonylContact O-C 3.54Å; D70-L73 PolarHBondContact O-N 3.17Å; E71-L73 VanDerWaalsContact C-N 3.27Å; E71-L73 PolarHBondContact O-N 3.4Å; L73-G75 PolarHBondContact O-N 3.28Å; L73-K76 PolarHBondContact O-N 2.68Å; L73-A79 HydrophobicContact CD2-CB 3.63Å; L73-A79 WeakPolarHBondContact CD2-O 3.39Å; L73-L81 HydrophobicContact CD1-CD2 4.43Å; L73-L81 HydrophobicContact CD1-CG 4.34Å; L73-L81 HydrophobicContact CD2-CD2 4.29Å; L73-L81 HydrophobicContact CD2-CG 4.44Å; L73-L81 HydrophobicContact CG-CD2 4.14Å; L73-L81 HydrophobicContact CG-CG 4.47Å; L73-A95 HydrophobicContact CD1-CB 3.68Å; L73-S97 PolarHBondContact O-OG 2.7Å; L73-T102 HydrophobicContact CD1-CG2 3.62Å
74	V	92.7	Very high	94.2	Very high	102 Å²	102	51 Å²	51	62%	0.618	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	133.1	-179.6	159.5	0	0	0	0	111	D70 K76	D70-V74 WeakPolarHBondContact O-CG2 3.32Å; D70-V74 PolarHBondContact O-N 2.7Å; V74-K76 PolarHBondContact O-N 3.24Å; V74-K76 VanDerWaalsContact O-N 3.13Å
75	G	87.4	Confident	94	Very high	81 Å²	81	50.8 Å²	50.8	84%	0.835	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	1	176.2	0	0	0	0	0	115.5	L73	L73-G75 PolarHBondContact O-N 3.28Å
76	K	92.7	Very high	93.8	Very high	98 Å²	98	54.7 Å²	54.7	43%	0.426	28%	0.276	S	S	.	.			trans	-113	85.4	-177.6	-60.4	172.8	-168.3	157.4	0	111.1	I43 L72 L73 V74 G78 A79 S97	I43-K76 HydrophobicContact CD1-CD 4Å; L72-K76 PolarHBondContact O-NZ 2.63Å; L73-K76 PolarHBondContact O-N 2.68Å; V74-K76 PolarHBondContact O-N 3.24Å; V74-K76 VanDerWaalsContact O-N 3.13Å; K76-G78 PolarHBondContact O-N 2.77Å; K76-A79 HydrophobicContact CB-CB 3.57Å; K76-A79 WeakPolarHBondContact O-CB 3.43Å; K76-A79 PolarHBondContact O-N 3.41Å; K76-S97 VanDerWaalsContact O-CB 3.29Å; K76-S97 WeakPolarHBondContact O-CB 3.28Å; K76-S97 PolarHBondContact O-OG 3.17Å
77	E	95.2	Very high	93.6	Very high	94 Å²	94	60.2 Å²	60.2	44%	0.439	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	132.9	177.8	-173.5	171.5	-155.6	0	0	112	P38 K41 A79	P38-E77 HydrophobicContact CB-CG 4.03Å; P38-E77 HydrophobicContact CG-CG 4.35Å; K41-E77 WeakPolarHBondContact CD-O 3.43Å; K41-E77 WeakPolarHBondContact CE-O 3.36Å; K41-E77 PolarHBondContact NZ-O 2.91Å; E77-A79 PolarHBondContact O-N 2.96Å
78	G	95.4	Very high	93.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	0.4	-174.9	0	0	0	0	0	114	K41 K76 S97	K41-G78 PolarHBondContact N-O 3.44Å; K76-G78 PolarHBondContact O-N 2.77Å; G78-S97 PolarHBondContact N-O 2.73Å
79	A	97.6	Very high	93	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	142.7	178.3	0	0	0	0	0	112.4	K41 I43 L73 K76 E77 S97	K41-A79 HydrophobicContact CB-CB 4.36Å; K41-A79 CarbonylContact O-C 3.35Å; K41-A79 WeakPolarHBondContact O-CA 3.48Å; I43-A79 HydrophobicContact CD1-CB 3.91Å; I43-A79 HydrophobicContact CG1-CB 4.12Å; L73-A79 HydrophobicContact CD2-CB 3.63Å; L73-A79 WeakPolarHBondContact CD2-O 3.39Å; K76-A79 HydrophobicContact CB-CB 3.57Å; K76-A79 WeakPolarHBondContact O-CB 3.43Å; K76-A79 PolarHBondContact O-N 3.41Å; E77-A79 PolarHBondContact O-N 2.96Å; A79-S97 PolarHBondContact O-N 3.27Å
80	Y	98.3	Very high	92.6	Very high	3 Å²	3	60.8 Å²	60.8	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	155.2	178.4	76.1	-82.6	0	0	0	113.5	P40 K41 R42 I43 E59 L94 A95 V123 V127	P40-Y80 HydrophobicContact CB-CD1 4.09Å; P40-Y80 HydrophobicContact CB-CE1 3.64Å; K41-Y80 PolarHBondContact O-N 2.88Å; R42-Y80 HydrophobicContact CB-CE1 3.83Å; I43-Y80 PolarHBondContact N-O 3.19Å; E59-Y80 HydrophobicContact CB-CE2 4.04Å; E59-Y80 HydrophobicContact CG-CE2 4.32Å; Y80-L94 HydrophobicContact CD2-CD1 3.86Å; Y80-L94 HydrophobicContact CG-CD1 4.4Å; Y80-A95 WeakPolarHBondContact CA-O 3.44Å; Y80-A95 WeakPolarHBondContact CB-O 3.49Å; Y80-V123 HydrophobicContact CD2-CG1 4.38Å; Y80-V123 HydrophobicContact CE2-CG1 3.78Å; Y80-V127 HydrophobicContact CD1-CB 4.36Å; Y80-V127 HydrophobicContact CD1-CG1 3.73Å; Y80-V127 HydrophobicContact CD1-CG2 4.24Å; Y80-V127 HydrophobicContact CD2-CG2 3.74Å; Y80-V127 HydrophobicContact CE1-CB 4.44Å; Y80-V127 HydrophobicContact CE1-CG1 4.18Å; Y80-V127 HydrophobicContact CE1-CG2 4.45Å; Y80-V127 HydrophobicContact CE2-CG2 3.98Å; Y80-V127 HydrophobicContact CG-CB 4.45Å; Y80-V127 HydrophobicContact CG-CG1 3.99Å; Y80-V127 HydrophobicContact CG-CG2 3.87Å
81	L	97.5	Very high	92.5	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	162.9	171.6	61.1	83.3	0	0	0	110.9	I43 I64 A69 L72 L73 R83 A95	I43-L81 HydrophobicContact CB-CB 4.32Å; I64-L81 HydrophobicContact CD1-CD1 4.01Å; I64-L81 HydrophobicContact CD1-CD2 4.48Å; A69-L81 HydrophobicContact CB-CD1 4.16Å; L72-L81 HydrophobicContact CB-CD2 4.04Å; L72-L81 HydrophobicContact CD1-CD2 3.88Å; L73-L81 HydrophobicContact CD1-CD2 4.43Å; L73-L81 HydrophobicContact CD1-CG 4.34Å; L73-L81 HydrophobicContact CD2-CD2 4.29Å; L73-L81 HydrophobicContact CD2-CG 4.44Å; L73-L81 HydrophobicContact CG-CD2 4.14Å; L73-L81 HydrophobicContact CG-CG 4.47Å; L81-R83 HydrophobicContact CD1-CB 4.26Å; L81-A95 HydrophobicContact CD1-CB 3.95Å; L81-A95 HydrophobicContact CG-CB 4.27Å; L81-A95 PolarHBondContact N-O 3.33Å; L81-A95 PolarHBondContact O-N 3.5Å
82	I	97.1	Very high	92.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.1	172.5	-59.6	176.8	0	0	0	108.6	Y56 E59 F60 H61 H92 T93 L94 L107 V123	Y56-I82 HydrophobicContact CD1-CD1 3.42Å; Y56-I82 VanDerWaalsContact CD1-CD1 3.42Å; Y56-I82 HydrophobicContact CD2-CG2 4.43Å; Y56-I82 HydrophobicContact CE1-CD1 3.53Å; Y56-I82 HydrophobicContact CE2-CG2 4.22Å; Y56-I82 HydrophobicContact CG-CD1 4.05Å; E59-I82 HydrophobicContact CG-CD1 3.81Å; E59-I82 HydrophobicContact CG-CG1 4.07Å; E59-I82 PolarHBondContact O-N 3.38Å; F60-I82 CarbonylContact C-O 3.59Å; F60-I82 WeakPolarHBondContact CA-O 3.45Å; F60-I82 HydrophobicContact CD2-CB 4.22Å; F60-I82 HydrophobicContact CD2-CG2 3.77Å; F60-I82 HydrophobicContact CE2-CG2 4.3Å; H61-I82 PolarHBondContact N-O 3.01Å; I82-H92 HydrophobicContact CG2-CB 4.24Å; I82-T93 WeakPolarHBondContact CA-O 3.37Å; I82-L94 HydrophobicContact CG1-CD1 4.38Å; I82-L107 HydrophobicContact CD1-CD2 3.57Å; I82-L107 HydrophobicContact CG1-CD2 4.14Å; I82-L107 HydrophobicContact CG2-CD2 4.45Å; I82-V123 HydrophobicContact CD1-CB 4.48Å; I82-V123 HydrophobicContact CD1-CG1 3.86Å; I82-V123 HydrophobicContact CD1-CG2 3.85Å
83	R	94.9	Very high	92.5	Very high	25 Å²	25	53.2 Å²	53.2	9%	0.094	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	154.5	174.4	63.5	-177.9	-177.8	78.5	4.7	111.3	G62 I64 L81 H92 T93 N104	G62-R83 CarbonylContact O-C 3.52Å; G62-R83 WeakPolarHBondContact O-CA 3.48Å; I64-R83 HydrophobicContact CD1-CB 4.21Å; I64-R83 HydrophobicContact CG1-CB 3.59Å; I64-R83 HydrophobicContact CG1-CG 4.45Å; L81-R83 HydrophobicContact CD1-CB 4.26Å; R83-H92 CarbonylContact O-C 3.52Å; R83-H92 WeakPolarHBondContact O-CA 3.38Å; R83-T93 PolarHBondContact N-O 3.08Å; R83-T93 PolarHBondContact O-N 2.64Å; R83-N104 PolarHBondContact NH2-OD1 3.35Å
84	E	93.9	Very high	92.7	Very high	31 Å²	31	53.3 Å²	53.3	15%	0.145	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	143.1	169.2	-169.5	175.8	178.2	0	0	110.4	F60 G62 M63 Q86 G90	F60-E84 HydrophobicContact CZ-CB 4.37Å; G62-E84 PolarHBondContact O-N 3.06Å; M63-E84 HydrophobicContact CB-CB 4.41Å; E84-Q86 PolarHBondContact O-N 3.14Å; E84-G90 PolarHBondContact OE1-N 3.15Å
85	S	89.2	Confident	92.9	Very high	22 Å²	22	48.4 Å²	48.4	15%	0.154	26%	0.262	C	S	.	.			trans	-75	122.6	179.6	-179.5	0	0	0	0	111.5	R87 Q88 T91	S85-R87 PolarHBondContact O-N 3.07Å; S85-R87 PolarHBondContact OG-N 3.1Å; S85-Q88 CarbonylContact O-C 3.34Å; S85-Q88 PolarHBondContact O-N 3.48Å; S85-Q88 PolarHBondContact OG-N 2.65Å; S85-T91 WeakPolarHBondContact CB-O 3.26Å; S85-T91 PolarHBondContact N-O 3.33Å
86	Q	87.7	Confident	93.4	Very high	113 Å²	113	44.6 Å²	44.6	53%	0.528	22%	0.222	S	C	.	.	S	Bend	trans	-63.2	-27.3	170.7	-72	176.1	-33.3	0	0	113	M63 E84	M63-Q86 HydrophobicContact CG-CB 4.44Å; M63-Q86 HydrophobicContact CG-CG 3.52Å; M63-Q86 HydrophobicContact SD-CG 4.04Å; E84-Q86 PolarHBondContact O-N 3.14Å
87	R	87	Confident	93.6	Very high	246 Å²	246	40.2 Å²	40.2	93%	0.928	20%	0.204	S	C	*	.	S	Bend	trans	-82.5	-27.5	-178.8	-63.6	-175.4	-178.1	-168.5	-0.3	112.9	S85	S85-R87 PolarHBondContact O-N 3.07Å; S85-R87 PolarHBondContact OG-N 3.1Å
88	Q	87.3	Confident	93.7	Very high	99 Å²	99	36.7 Å²	36.7	46%	0.463	19%	0.188	S	C	.	.	S	Bend	trans	-143.6	91.5	-177.5	-170.6	177.1	20.3	0	0	109.3	S85 T91	S85-Q88 CarbonylContact O-C 3.34Å; S85-Q88 PolarHBondContact O-N 3.48Å; S85-Q88 PolarHBondContact OG-N 2.65Å; Q88-T91 WeakPolarHBondContact O-CB 3.46Å; Q88-T91 PolarHBondContact O-N 3.45Å; Q88-T91 VanDerWaalsContact O-N 3.14Å; Q88-T91 PolarHBondContact OE1-OG1 3.24Å
89	P	85.8	Confident	93.5	Very high	96 Å²	96	38.5 Å²	38.5	62%	0.623	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.3	143.4	175.3	-27.2	35.6	0	0	0	112	T91	P89-T91 VanDerWaalsContact C-N 3.26Å; P89-T91 PolarHBondContact O-N 3.38Å
90	G	85.8	Confident	93.1	Very high	52 Å²	52	47.7 Å²	47.7	54%	0.536	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	-4	-174.6	0	0	0	0	0	115.1	E84	E84-G90 PolarHBondContact OE1-N 3.15Å
91	T	91.9	Very high	92.8	Very high	18 Å²	18	54 Å²	54	11%	0.11	28%	0.278	C	S	.	.			trans	-98.6	127.8	172.4	-61.2	0	0	0	0	111.3	S85 Q88 P89 R106	S85-T91 WeakPolarHBondContact CB-O 3.26Å; S85-T91 PolarHBondContact N-O 3.33Å; Q88-T91 WeakPolarHBondContact O-CB 3.46Å; Q88-T91 PolarHBondContact O-N 3.45Å; Q88-T91 VanDerWaalsContact O-N 3.14Å; Q88-T91 PolarHBondContact OE1-OG1 3.24Å; P89-T91 VanDerWaalsContact C-N 3.26Å; P89-T91 PolarHBondContact O-N 3.38Å; T91-R106 HydrophobicContact CG2-CG 4.11Å; T91-R106 PolarHBondContact OG1-NH2 3.45Å; T91-R106 VanDerWaalsContact OG1-NH2 3.13Å
92	H	95.2	Very high	92.7	Very high	20 Å²	20	55.2 Å²	55.2	9%	0.093	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	143.8	-178	-50.3	103.5	0	0	0	111.6	Y56 F60 I82 R83 L107	Y56-H92 HydrophobicContact CE2-CB 4.03Å; Y56-H92 AromaticContact CE2-CD2 3.85Å; Y56-H92 AromaticContact CE2-CG 3.61Å; Y56-H92 AromaticContact CE2-ND1 3.83Å; F60-H92 AromaticContact CE2-CD2 3.78Å; I82-H92 HydrophobicContact CG2-CB 4.24Å; R83-H92 CarbonylContact O-C 3.52Å; R83-H92 WeakPolarHBondContact O-CA 3.38Å; H92-L107 PolarHBondContact O-N 3.36Å
93	T	96.1	Very high	92.7	Very high	18 Å²	18	57.1 Å²	57.1	11%	0.11	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.8	179.2	-59.4	0	0	0	0	109.7	I82 R83 N104 Y105	I82-T93 WeakPolarHBondContact CA-O 3.37Å; R83-T93 PolarHBondContact N-O 3.08Å; R83-T93 PolarHBondContact O-N 2.64Å; T93-N104 HydrophobicContact CG2-CB 4.03Å; T93-Y105 CarbonylContact C-O 3.01Å; T93-Y105 WeakPolarHBondContact CA-O 3.26Å; T93-Y105 WeakPolarHBondContact CG2-O 3.45Å
94	L	97.4	Very high	92.7	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	118.1	166.5	172	66.2	0	0	0	108.6	Y80 I82 N104 Y105 L126 V127	Y80-L94 HydrophobicContact CD2-CD1 3.86Å; Y80-L94 HydrophobicContact CG-CD1 4.4Å; I82-L94 HydrophobicContact CG1-CD1 4.38Å; L94-N104 WeakPolarHBondContact O-CA 3.47Å; L94-Y105 PolarHBondContact N-O 3.38Å; L94-Y105 PolarHBondContact O-N 3.07Å; L94-L126 HydrophobicContact CD2-CD2 3.62Å; L94-V127 HydrophobicContact CD1-CG2 3.91Å; L94-V127 HydrophobicContact CD2-CG2 3.97Å
95	A	97.4	Very high	92.8	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	123.9	169.5	0	0	0	0	0	108.7	L73 Y80 L81 T102 L103	L73-A95 HydrophobicContact CD1-CB 3.68Å; Y80-A95 WeakPolarHBondContact CA-O 3.44Å; Y80-A95 WeakPolarHBondContact CB-O 3.49Å; L81-A95 HydrophobicContact CD1-CB 3.95Å; L81-A95 HydrophobicContact CG-CB 4.27Å; L81-A95 PolarHBondContact N-O 3.33Å; L81-A95 PolarHBondContact O-N 3.5Å; A95-T102 HydrophobicContact CB-CG2 4.01Å; A95-L103 WeakPolarHBondContact CA-O 3.42Å
96	L	97.6	Very high	93.1	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	126.9	-173.5	178.5	65.2	0	0	0	110.2	T102 L103 Y105 V127 A130 L131 L134	L96-T102 CarbonylContact O-C 3.56Å; L96-T102 WeakPolarHBondContact O-CA 3.3Å; L96-L103 PolarHBondContact N-O 3.19Å; L96-L103 PolarHBondContact O-N 3.34Å; L96-Y105 HydrophobicContact CD2-CE2 4.41Å; L96-V127 HydrophobicContact CD1-CG1 3.66Å; L96-A130 HydrophobicContact CD2-CB 4.36Å; L96-L131 HydrophobicContact CD1-CD1 4.36Å; L96-L131 HydrophobicContact CD1-CD2 3.89Å; L96-L131 HydrophobicContact CD1-CG 4.16Å; L96-L131 HydrophobicContact CD2-CD2 3.99Å; L96-L131 HydrophobicContact CD2-CG 4.3Å; L96-L131 HydrophobicContact CG-CD2 4.16Å; L96-L134 HydrophobicContact CD2-CD1 3.86Å
97	S	97.4	Very high	93.4	Very high	7 Å²	7	59.4 Å²	59.4	5%	0.049	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	117.6	176.1	-170.6	0	0	0	0	111	L73 K76 G78 A79 Q101	L73-S97 PolarHBondContact O-OG 2.7Å; K76-S97 VanDerWaalsContact O-CB 3.29Å; K76-S97 WeakPolarHBondContact O-CB 3.28Å; K76-S97 PolarHBondContact O-OG 3.17Å; G78-S97 PolarHBondContact N-O 2.73Å; A79-S97 PolarHBondContact O-N 3.27Å; S97-Q101 WeakPolarHBondContact CA-O 3.36Å
98	F	96.6	Very high	93.9	Very high	20 Å²	20	51.8 Å²	51.8	9%	0.088	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	134.5	177.7	-177.8	-94.4	0	0	0	110.2	P38 H100 Q101 L103 L131 L134 Y135	P38-F98 HydrophobicContact CG-CD2 4.24Å; P38-F98 HydrophobicContact CG-CE2 4.15Å; F98-H100 VanDerWaalsContact C-N 3.34Å; F98-H100 PolarHBondContact O-N 3.39Å; F98-Q101 PolarHBondContact N-O 3.37Å; F98-Q101 PolarHBondContact O-N 3.35Å; F98-L103 HydrophobicContact CB-CD1 3.95Å; F98-L103 HydrophobicContact CD1-CD1 4.37Å; F98-L131 HydrophobicContact CD2-CD2 3.92Å; F98-L134 HydrophobicContact CB-CD1 4.25Å; F98-L134 HydrophobicContact CD1-CB 4.05Å; F98-L134 HydrophobicContact CD1-CD1 4.32Å; F98-L134 HydrophobicContact CD2-CB 4.09Å; F98-L134 HydrophobicContact CD2-CD1 4.41Å; F98-L134 HydrophobicContact CE1-CB 3.84Å; F98-L134 HydrophobicContact CE2-CB 3.88Å; F98-L134 HydrophobicContact CG-CB 4.18Å; F98-L134 HydrophobicContact CG-CD1 4.06Å; F98-L134 HydrophobicContact CZ-CB 3.77Å; F98-Y135 HydrophobicContact CE2-CD2 4.2Å; F98-Y135 HydrophobicContact CZ-CD2 4.46Å
99	G	92.3	Very high	94.3	Very high	38 Å²	38	51.7 Å²	51.7	39%	0.392	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	36.8	176.5	0	0	0	0	0	114.8	Q101	G99-Q101 PolarHBondContact O-N 2.82Å
100	H	88.9	Confident	94.7	Very high	193 Å²	193	52 Å²	52	89%	0.894	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	18.6	-174.7	-51.1	84.5	0	0	0	114.7	F98	F98-H100 VanDerWaalsContact C-N 3.34Å; F98-H100 PolarHBondContact O-N 3.39Å
101	Q	92.8	Very high	95.1	Very high	135 Å²	135	51.8 Å²	51.8	63%	0.631	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.1	152.3	177.5	-62	-176.5	-1.8	0	0	111	S97 F98 G99	S97-Q101 WeakPolarHBondContact CA-O 3.36Å; F98-Q101 PolarHBondContact N-O 3.37Å; F98-Q101 PolarHBondContact O-N 3.35Å; G99-Q101 PolarHBondContact O-N 2.82Å
102	T	95.3	Very high	95.3	Very high	26 Å²	26	55.3 Å²	55.3	16%	0.16	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113	169.5	-51.7	0	0	0	0	110.6	D70 L73 A95 L96 N104	D70-T102 WeakPolarHBondContact OD1-CB 3.5Å; D70-T102 WeakPolarHBondContact OD1-CG2 3.44Å; D70-T102 PolarHBondContact OD1-OG1 3.13Å; L73-T102 HydrophobicContact CD1-CG2 3.62Å; A95-T102 HydrophobicContact CB-CG2 4.01Å; L96-T102 CarbonylContact O-C 3.56Å; L96-T102 WeakPolarHBondContact O-CA 3.3Å; T102-N104 PolarHBondContact O-ND2 2.91Å
103	L	95.8	Very high	95.4	Very high	40 Å²	40	54.8 Å²	54.8	21%	0.209	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	132.4	172.6	-53.9	177.9	0	0	0	109.4	A95 L96 F98 Y105 L134	A95-L103 WeakPolarHBondContact CA-O 3.42Å; L96-L103 PolarHBondContact N-O 3.19Å; L96-L103 PolarHBondContact O-N 3.34Å; F98-L103 HydrophobicContact CB-CD1 3.95Å; F98-L103 HydrophobicContact CD1-CD1 4.37Å; L103-Y105 HydrophobicContact CB-CD2 4.32Å; L103-Y105 HydrophobicContact CB-CE2 3.52Å; L103-Y105 HydrophobicContact CD1-CE2 4.29Å; L103-Y105 WeakPolarHBondContact CD1-OH 3.35Å; L103-L134 HydrophobicContact CD1-CD1 3.6Å; L103-L134 HydrophobicContact CD1-CD2 3.94Å; L103-L134 HydrophobicContact CD1-CG 4.44Å
104	N	95.2	Very high	95.4	Very high	47 Å²	47	55.3 Å²	55.3	25%	0.251	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.6	-177.8	-74.9	-97.8	0	0	0	109.6	R83 T93 L94 T102	R83-N104 PolarHBondContact NH2-OD1 3.35Å; T93-N104 HydrophobicContact CG2-CB 4.03Å; L94-N104 WeakPolarHBondContact O-CA 3.47Å; T102-N104 PolarHBondContact O-ND2 2.91Å
105	Y	95.8	Very high	95.3	Very high	70 Å²	70	57.7 Å²	57.7	28%	0.275	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	130	-178.4	-63.5	-76.6	0	0	0	110.9	T93 L94 L96 L103 L107 V115	T93-Y105 CarbonylContact C-O 3.01Å; T93-Y105 WeakPolarHBondContact CA-O 3.26Å; T93-Y105 WeakPolarHBondContact CG2-O 3.45Å; L94-Y105 PolarHBondContact N-O 3.38Å; L94-Y105 PolarHBondContact O-N 3.07Å; L96-Y105 HydrophobicContact CD2-CE2 4.41Å; L103-Y105 HydrophobicContact CB-CD2 4.32Å; L103-Y105 HydrophobicContact CB-CE2 3.52Å; L103-Y105 HydrophobicContact CD1-CE2 4.29Å; L103-Y105 WeakPolarHBondContact CD1-OH 3.35Å; Y105-L107 PolarHBondContact O-N 3.25Å; Y105-V115 HydrophobicContact CD1-CG1 3.71Å; Y105-V115 HydrophobicContact CG-CG1 3.99Å
106	R	95.4	Very high	95	Very high	116 Å²	116	60 Å²	60	44%	0.438	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	126	171.3	-174.9	172.2	-175.9	151.2	14.3	108.9	T91 F108	T91-R106 HydrophobicContact CG2-CG 4.11Å; T91-R106 PolarHBondContact OG1-NH2 3.45Å; T91-R106 VanDerWaalsContact OG1-NH2 3.13Å; R106-F108 HydrophobicContact CB-CE2 4.21Å; R106-F108 HydrophobicContact CB-CZ 4.48Å; R106-F108 VanDerWaalsContact CD-CZ 3.44Å; R106-F108 HydrophobicContact CG-CE1 4.3Å; R106-F108 HydrophobicContact CG-CE2 3.84Å; R106-F108 HydrophobicContact CG-CZ 3.73Å
107	L	95.4	Very high	94.6	Very high	6 Å²	6	67.3 Å²	67.3	3%	0.031	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.7	-176	-167.1	64.2	0	0	0	110.1	Y56 I82 H92 Y105 V115 L126	Y56-L107 HydrophobicContact CE1-CD2 3.53Å; Y56-L107 HydrophobicContact CE1-CG 4.5Å; Y56-L107 WeakPolarHBondContact OH-CD2 3.26Å; I82-L107 HydrophobicContact CD1-CD2 3.57Å; I82-L107 HydrophobicContact CG1-CD2 4.14Å; I82-L107 HydrophobicContact CG2-CD2 4.45Å; H92-L107 PolarHBondContact O-N 3.36Å; Y105-L107 PolarHBondContact O-N 3.25Å; L107-V115 HydrophobicContact CD1-CG2 3.87Å; L107-L126 HydrophobicContact CD1-CD1 3.74Å
108	F	95.9	Very high	94.5	Very high	85 Å²	85	69.6 Å²	69.6	37%	0.373	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	156.6	178.5	-60	-86.9	0	0	0	111	R106 F114	R106-F108 HydrophobicContact CB-CE2 4.21Å; R106-F108 HydrophobicContact CB-CZ 4.48Å; R106-F108 VanDerWaalsContact CD-CZ 3.44Å; R106-F108 HydrophobicContact CG-CE1 4.3Å; R106-F108 HydrophobicContact CG-CE2 3.84Å; R106-F108 HydrophobicContact CG-CZ 3.73Å; F108-F114 HydrophobicContact CB-CD1 3.96Å; F108-F114 HydrophobicContact CB-CD2 3.91Å; F108-F114 HydrophobicContact CB-CE1 3.51Å; F108-F114 HydrophobicContact CB-CE2 3.45Å; F108-F114 VanDerWaalsContact CB-CE2 3.45Å; F108-F114 HydrophobicContact CB-CG 4.15Å; F108-F114 HydrophobicContact CB-CZ 3.24Å; F108-F114 HydrophobicContact CD2-CD2 4.33Å; F108-F114 HydrophobicContact CD2-CE2 4.05Å; F108-F114 HydrophobicContact CG-CD2 4.48Å; F108-F114 AromaticContact CG-CE2 3.91Å; F108-F114 HydrophobicContact CG-CE2 3.91Å; F108-F114 HydrophobicContact CG-CZ 4.05Å; F108-F114 PolarHBondContact N-O 2.99Å; F108-F114 PolarHBondContact O-N 3.09Å; F108-F114 VanDerWaalsContact O-N 3.11Å
109	Y	95.6	Very high	94.4	Very high	98 Å²	98	72.9 Å²	72.9	38%	0.384	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	124.9	179.9	-176.1	-97.3	0	0	0	111.3	Y55 K112 H113	Y55-Y109 AromaticContact CD1-CD1 3.8Å; Y55-Y109 HydrophobicContact CD1-CD1 3.8Å; Y55-Y109 AromaticContact CD1-CE1 3.7Å; Y55-Y109 HydrophobicContact CD1-CE1 3.7Å; Y55-Y109 HydrophobicContact CD1-CG 4.38Å; Y55-Y109 HydrophobicContact CD2-CD1 4.15Å; Y55-Y109 HydrophobicContact CD2-CD2 4.05Å; Y55-Y109 HydrophobicContact CD2-CE2 4.4Å; Y55-Y109 AromaticContact CD2-CG 3.9Å; Y55-Y109 HydrophobicContact CD2-CG 3.9Å; Y55-Y109 AromaticContact CE1-CD1 3.98Å; Y55-Y109 HydrophobicContact CE1-CD1 3.98Å; Y55-Y109 HydrophobicContact CE1-CE1 4.28Å; Y55-Y109 HydrophobicContact CE2-CD1 4.29Å; Y55-Y109 HydrophobicContact CE2-CG 4.08Å; Y55-Y109 AromaticContact CG-CD1 3.89Å; Y55-Y109 HydrophobicContact CG-CD1 3.89Å; Y55-Y109 HydrophobicContact CG-CD2 4.16Å; Y55-Y109 AromaticContact CG-CE1 3.83Å; Y55-Y109 HydrophobicContact CG-CE1 3.83Å; Y55-Y109 HydrophobicContact CG-CE2 4.09Å; Y55-Y109 HydrophobicContact CG-CG 4.05Å; Y55-Y109 AromaticContact CG-CZ 3.91Å; Y109-K112 WeakPolarHBondContact CA-O 3.41Å; Y109-H113 AromaticContact CD2-CE1 3.65Å; Y109-H113 AromaticContact CD2-ND1 3.67Å; Y109-H113 AromaticContact CE2-CE1 3.84Å; Y109-H113 AromaticContact CE2-NE2 3.9Å
110	D	94.7	Very high	94.6	Very high	102 Å²	102	71.7 Å²	71.7	55%	0.545	35%	0.353	S	S	.	.	S	Bend	trans	-133.5	32.3	174.8	67.9	-15.3	0	0	0	112.2	K112 F114 R119	D110-K112 PolarHBondContact N-O 3.41Å; D110-F114 HydrophobicContact CB-CE1 4.34Å; D110-R119 IonicContact OD1-NH1 2.86Å; D110-R119 PolarHBondContact OD1-NH1 3.06Å; D110-R119 IonicContact OD2-CZ 3.6Å; D110-R119 IonicContact OD2-NH1 2.62Å; D110-R119 PolarHBondContact OD2-NH1 3.2Å; D110-R119 IonicContact OD2-NH2 3.7Å
111	G	95.1	Very high	94.9	Very high	48 Å²	48	70.1 Å²	70.1	50%	0.495	35%	0.346	S	S	.	.	S	Bend	trans	101.2	-17.6	-166.3	0	0	0	0	0	112.6
112	K	96	Very high	95	Very high	91 Å²	91	65.4 Å²	65.4	40%	0.396	33%	0.328	S	S	.	.	S	Bend	trans	-132.2	153.9	168.7	-69.2	-170.3	177.2	-168.8	0	110.5	Y109 D110 R119 F120	Y109-K112 WeakPolarHBondContact CA-O 3.41Å; D110-K112 PolarHBondContact N-O 3.41Å; K112-R119 HydrophobicContact CB-CB 3.94Å; K112-R119 HydrophobicContact CD-CB 3.8Å; K112-F120 CarbonylContact C-O 3.5Å; K112-F120 WeakPolarHBondContact CA-O 3.42Å; K112-F120 WeakPolarHBondContact CB-O 3.37Å
113	H	96.7	Very high	95.1	Very high	10 Å²	10	64.4 Å²	64.4	5%	0.046	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	137.6	177.1	-59.7	-80.5	0	0	0	111.2	Y55 Y56 Y109 F120 L126	Y55-H113 PolarHBondContact O-CE1 3.26Å; Y55-H113 PolarHBondContact O-NE2 2.92Å; Y56-H113 AromaticContact CD1-CE1 3.95Å; Y56-H113 AromaticContact CE1-CE1 3.81Å; Y56-H113 AromaticContact CE1-ND1 3.76Å; Y109-H113 AromaticContact CD2-CE1 3.65Å; Y109-H113 AromaticContact CD2-ND1 3.67Å; Y109-H113 AromaticContact CE2-CE1 3.84Å; Y109-H113 AromaticContact CE2-NE2 3.9Å; H113-F120 PolarHBondContact N-O 3.43Å; H113-F120 PolarHBondContact O-N 2.81Å; H113-L126 HydrophobicContact CB-CD1 4.01Å
114	F	96.8	Very high	95.2	Very high	29 Å²	29	66.8 Å²	66.8	13%	0.127	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	154.1	176.1	65	-79.2	0	0	0	114.6	F108 D110 G116 K118 R119	F108-F114 HydrophobicContact CB-CD1 3.96Å; F108-F114 HydrophobicContact CB-CD2 3.91Å; F108-F114 HydrophobicContact CB-CE1 3.51Å; F108-F114 HydrophobicContact CB-CE2 3.45Å; F108-F114 VanDerWaalsContact CB-CE2 3.45Å; F108-F114 HydrophobicContact CB-CG 4.15Å; F108-F114 HydrophobicContact CB-CZ 3.24Å; F108-F114 HydrophobicContact CD2-CD2 4.33Å; F108-F114 HydrophobicContact CD2-CE2 4.05Å; F108-F114 HydrophobicContact CG-CD2 4.48Å; F108-F114 AromaticContact CG-CE2 3.91Å; F108-F114 HydrophobicContact CG-CE2 3.91Å; F108-F114 HydrophobicContact CG-CZ 4.05Å; F108-F114 PolarHBondContact N-O 2.99Å; F108-F114 PolarHBondContact O-N 3.09Å; F108-F114 VanDerWaalsContact O-N 3.11Å; D110-F114 HydrophobicContact CB-CE1 4.34Å; F114-G116 WeakPolarHBondContact CD2-O 3.36Å; F114-K118 WeakPolarHBondContact CB-O 3.47Å; F114-R119 VanDerWaalsContact CG-NE 3.33Å
115	V	94.1	Very high	95.2	Very high	51 Å²	51	66.8 Å²	66.8	31%	0.309	33%	0.331	S	S	.	.	S	Bend	trans	-115.7	-23.9	170.4	171.6	0	0	0	0	111.2	Y105 L107 L126	Y105-V115 HydrophobicContact CD1-CG1 3.71Å; Y105-V115 HydrophobicContact CG-CG1 3.99Å; L107-V115 HydrophobicContact CD1-CG2 3.87Å; V115-L126 HydrophobicContact CG2-CD1 4.27Å; V115-L126 HydrophobicContact CG2-CD2 4.19Å
116	G	91.3	Very high	95.3	Very high	48 Å²	48	63.7 Å²	63.7	50%	0.495	32%	0.32	S	S	.	.	S	Bend	trans	-142.3	-136	-179.5	0	0	0	0	0	111.9	F114	F114-G116 WeakPolarHBondContact CD2-O 3.36Å
117	E	90.2	Very high	95.4	Very high	153 Å²	153	58.2 Å²	58.2	72%	0.715	30%	0.299	S	S	*	.	S	Bend	trans	-70.4	-37.8	-177.7	-62.6	-178.9	179	0	0	113.2	K251	E117-K251 VanDerWaalsContact CD-NZ 3.3Å; E117-K251 IonicContact OE1-NZ 3.59Å; E117-K251 PolarHBondContact OE1-NZ 3.09Å; E117-K251 VanDerWaalsContact OE1-NZ 3.09Å; E117-K251 IonicContact OE2-NZ 3.25Å; E117-K251 PolarHBondContact OE2-NZ 3.32Å
118	K	93.8	Very high	95.5	Very high	55 Å²	55	59.2 Å²	59.2	24%	0.239	31%	0.305	C	S	.	.			trans	-75.3	135.6	-174.3	-64.4	-175	-175.9	-176.5	0	111.7	F114 F120 D129 I236 A237	F114-K118 WeakPolarHBondContact CB-O 3.47Å; K118-F120 HydrophobicContact CB-CD2 4.41Å; K118-F120 HydrophobicContact CB-CE2 3.48Å; K118-F120 VanDerWaalsContact CB-CE2 3.48Å; K118-F120 HydrophobicContact CB-CZ 3.67Å; K118-F120 HydrophobicContact CD-CZ 3.93Å; K118-F120 HydrophobicContact CG-CZ 4.49Å; K118-D129 VanDerWaalsContact CD-OD2 3.31Å; K118-D129 WeakPolarHBondContact CD-OD2 3.35Å; K118-D129 VanDerWaalsContact NZ-CG 3.32Å; K118-D129 IonicContact NZ-OD1 2.68Å; K118-D129 PolarHBondContact NZ-OD1 3.27Å; K118-D129 IonicContact NZ-OD2 3.09Å; K118-D129 PolarHBondContact NZ-OD2 3.25Å; K118-I236 HydrophobicContact CB-CD1 4.26Å; K118-I236 HydrophobicContact CB-CG1 4.42Å; K118-I236 HydrophobicContact CD-CG1 4.18Å; K118-I236 WeakPolarHBondContact CE-O 3.31Å; K118-I236 PolarHBondContact NZ-O 2.69Å; K118-I236 VanDerWaalsContact NZ-O 3.11Å; K118-A237 HydrophobicContact CD-CB 4.45Å; K118-A237 HydrophobicContact CG-CB 4.24Å
119	R	95.3	Very high	95.5	Very high	90 Å²	90	55.6 Å²	55.6	34%	0.34	29%	0.29	S	S	.	.			trans	-114.5	123.9	-178	-54.7	-48.1	-171.3	78.2	-1.6	111.5	D110 K112 F114 I236	D110-R119 IonicContact OD1-NH1 2.86Å; D110-R119 PolarHBondContact OD1-NH1 3.06Å; D110-R119 IonicContact OD2-CZ 3.6Å; D110-R119 IonicContact OD2-NH1 2.62Å; D110-R119 PolarHBondContact OD2-NH1 3.2Å; D110-R119 IonicContact OD2-NH2 3.7Å; K112-R119 HydrophobicContact CB-CB 3.94Å; K112-R119 HydrophobicContact CD-CB 3.8Å; F114-R119 VanDerWaalsContact CG-NE 3.33Å; R119-I236 WeakPolarHBondContact O-CD1 3.31Å
120	F	96.5	Very high	95.6	Very high	12 Å²	12	52 Å²	52	5%	0.053	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-114.9	146.7	-171.1	-60	-92	0	0	0	112.2	K112 H113 K118 S122 D125 L126 D129 I236	K112-F120 CarbonylContact C-O 3.5Å; K112-F120 WeakPolarHBondContact CA-O 3.42Å; K112-F120 WeakPolarHBondContact CB-O 3.37Å; H113-F120 PolarHBondContact N-O 3.43Å; H113-F120 PolarHBondContact O-N 2.81Å; K118-F120 HydrophobicContact CB-CD2 4.41Å; K118-F120 HydrophobicContact CB-CE2 3.48Å; K118-F120 VanDerWaalsContact CB-CE2 3.48Å; K118-F120 HydrophobicContact CB-CZ 3.67Å; K118-F120 HydrophobicContact CD-CZ 3.93Å; K118-F120 HydrophobicContact CG-CZ 4.49Å; F120-S122 VanDerWaalsContact C-N 3.34Å; F120-D125 HydrophobicContact CB-CB 4.41Å; F120-D125 HydrophobicContact CD1-CB 3.89Å; F120-L126 HydrophobicContact CB-CB 4.01Å; F120-L126 HydrophobicContact CD1-CB 4.34Å; F120-L126 HydrophobicContact CD2-CB 3.66Å; F120-L126 HydrophobicContact CD2-CD1 4.02Å; F120-L126 HydrophobicContact CD2-CG 3.77Å; F120-L126 HydrophobicContact CE2-CB 4.18Å; F120-L126 HydrophobicContact CE2-CG 4.02Å; F120-L126 HydrophobicContact CG-CB 3.75Å; F120-L126 HydrophobicContact CG-CG 4.39Å; F120-D129 HydrophobicContact CE1-CB 3.57Å; F120-D129 HydrophobicContact CZ-CB 3.65Å; F120-I236 HydrophobicContact CD1-CD1 3.57Å; F120-I236 HydrophobicContact CD1-CG1 4.11Å; F120-I236 HydrophobicContact CD2-CD1 4.44Å; F120-I236 HydrophobicContact CE1-CD1 3.48Å; F120-I236 VanDerWaalsContact CE1-CD1 3.48Å; F120-I236 HydrophobicContact CE1-CG1 3.55Å; F120-I236 HydrophobicContact CE2-CD1 4.36Å; F120-I236 HydrophobicContact CG-CD1 4.07Å; F120-I236 HydrophobicContact CZ-CD1 3.91Å; F120-I236 HydrophobicContact CZ-CG1 3.98Å
121	E	94.9	Very high	95.7	Very high	160 Å²	160	47.1 Å²	47.1	75%	0.748	25%	0.254	S	S	*	.	S	Bend	trans	-73.9	-28.7	176.6	-65.3	-177.3	178.4	0	0	111.9
122	S	96.3	Very high	95.8	Very high	37 Å²	37	45.6 Å²	45.6	26%	0.259	24%	0.235	S	C	.	.	S	Bend	trans	-133.7	154.1	177.7	78.6	0	0	0	0	112.2	F120 H124 D125 L126	F120-S122 VanDerWaalsContact C-N 3.34Å; S122-H124 PolarHBondContact O-N 3.2Å; S122-H124 PolarHBondContact OG-N 3.4Å; S122-D125 PolarHBondContact O-N 3.28Å; S122-D125 PolarHBondContact OG-N 2.93Å; S122-D125 PolarHBondContact OG-OD2 3.1Å; S122-L126 PolarHBondContact O-N 2.88Å
123	V	96.6	Very high	95.8	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.03	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-34.5	169.2	177.6	0	0	0	0	110.7	Y56 Y80 I82 L126 V127	Y56-V123 HydrophobicContact CD1-CG2 4.01Å; Y56-V123 HydrophobicContact CE1-CG2 4.18Å; Y80-V123 HydrophobicContact CD2-CG1 4.38Å; Y80-V123 HydrophobicContact CE2-CG1 3.78Å; I82-V123 HydrophobicContact CD1-CB 4.48Å; I82-V123 HydrophobicContact CD1-CG1 3.86Å; I82-V123 HydrophobicContact CD1-CG2 3.85Å; V123-L126 WeakPolarHBondContact O-CB 3.24Å; V123-L126 PolarHBondContact O-N 3.04Å; V123-V127 HydrophobicContact CG1-CG2 4.21Å; V123-V127 VanDerWaalsContact O-CG2 3.3Å; V123-V127 WeakPolarHBondContact O-CG2 3.41Å; V123-V127 PolarHBondContact O-N 3.46Å
124	H	96.8	Very high	95.8	Very high	89 Å²	89	43.7 Å²	43.7	41%	0.412	23%	0.23	S	C	.	.	H	α-helix	trans	-61.8	-45.2	179.3	-175.4	80.2	0	0	0	112.1	S122 L126 V127 T128	S122-H124 PolarHBondContact O-N 3.2Å; S122-H124 PolarHBondContact OG-N 3.4Å; H124-L126 VanDerWaalsContact C-N 3.34Å; H124-V127 PolarHBondContact O-N 3.47Å; H124-T128 WeakPolarHBondContact O-CB 3.49Å; H124-T128 PolarHBondContact O-N 3.3Å; H124-T128 PolarHBondContact O-OG1 3.39Å
125	D	96.4	Very high	95.8	Very high	47 Å²	47	43.7 Å²	43.7	25%	0.251	23%	0.23	S	C	.	.	H	α-helix	trans	-66.5	-38.9	178.4	-58.7	-41.7	0	0	0	111.5	F120 S122 T128 D129 L235	F120-D125 HydrophobicContact CB-CB 4.41Å; F120-D125 HydrophobicContact CD1-CB 3.89Å; S122-D125 PolarHBondContact O-N 3.28Å; S122-D125 PolarHBondContact OG-N 2.93Å; S122-D125 PolarHBondContact OG-OD2 3.1Å; D125-T128 WeakPolarHBondContact O-CB 3.18Å; D125-T128 PolarHBondContact O-N 2.88Å; D125-D129 PolarHBondContact O-N 3.21Å; D125-L235 HydrophobicContact CB-CD1 4.46Å; D125-L235 HydrophobicContact CB-CD2 4.37Å
126	L	97.3	Very high	95.8	Very high	6 Å²	6	41.3 Å²	41.3	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-49.9	174.3	-176.4	162	0	0	0	110.8	L94 L107 H113 V115 F120 S122 V123 H124 T128 D129 A130	L94-L126 HydrophobicContact CD2-CD2 3.62Å; L107-L126 HydrophobicContact CD1-CD1 3.74Å; H113-L126 HydrophobicContact CB-CD1 4.01Å; V115-L126 HydrophobicContact CG2-CD1 4.27Å; V115-L126 HydrophobicContact CG2-CD2 4.19Å; F120-L126 HydrophobicContact CB-CB 4.01Å; F120-L126 HydrophobicContact CD1-CB 4.34Å; F120-L126 HydrophobicContact CD2-CB 3.66Å; F120-L126 HydrophobicContact CD2-CD1 4.02Å; F120-L126 HydrophobicContact CD2-CG 3.77Å; F120-L126 HydrophobicContact CE2-CB 4.18Å; F120-L126 HydrophobicContact CE2-CG 4.02Å; F120-L126 HydrophobicContact CG-CB 3.75Å; F120-L126 HydrophobicContact CG-CG 4.39Å; S122-L126 PolarHBondContact O-N 2.88Å; V123-L126 WeakPolarHBondContact O-CB 3.24Å; V123-L126 PolarHBondContact O-N 3.04Å; H124-L126 VanDerWaalsContact C-N 3.34Å; L126-T128 VanDerWaalsContact C-N 3.31Å; L126-T128 PolarHBondContact O-N 3.21Å; L126-D129 PolarHBondContact O-N 3.5Å; L126-A130 VanDerWaalsContact O-CB 3.29Å; L126-A130 WeakPolarHBondContact O-CB 3.27Å; L126-A130 PolarHBondContact O-N 3.43Å
127	V	97.6	Very high	96	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.2	-36.1	179.3	177.2	0	0	0	0	111.1	P40 Y80 L94 L96 V123 H124 A130 L131	P40-V127 HydrophobicContact CB-CB 4.26Å; P40-V127 HydrophobicContact CB-CG1 3.76Å; P40-V127 HydrophobicContact CG-CB 4.35Å; P40-V127 HydrophobicContact CG-CG1 4.06Å; Y80-V127 HydrophobicContact CD1-CB 4.36Å; Y80-V127 HydrophobicContact CD1-CG1 3.73Å; Y80-V127 HydrophobicContact CD1-CG2 4.24Å; Y80-V127 HydrophobicContact CD2-CG2 3.74Å; Y80-V127 HydrophobicContact CE1-CB 4.44Å; Y80-V127 HydrophobicContact CE1-CG1 4.18Å; Y80-V127 HydrophobicContact CE1-CG2 4.45Å; Y80-V127 HydrophobicContact CE2-CG2 3.98Å; Y80-V127 HydrophobicContact CG-CB 4.45Å; Y80-V127 HydrophobicContact CG-CG1 3.99Å; Y80-V127 HydrophobicContact CG-CG2 3.87Å; L94-V127 HydrophobicContact CD1-CG2 3.91Å; L94-V127 HydrophobicContact CD2-CG2 3.97Å; L96-V127 HydrophobicContact CD1-CG1 3.66Å; V123-V127 HydrophobicContact CG1-CG2 4.21Å; V123-V127 VanDerWaalsContact O-CG2 3.3Å; V123-V127 WeakPolarHBondContact O-CG2 3.41Å; V123-V127 PolarHBondContact O-N 3.46Å; H124-V127 PolarHBondContact O-N 3.47Å; V127-A130 PolarHBondContact O-N 3.41Å; V127-L131 HydrophobicContact CG1-CD1 3.87Å; V127-L131 HydrophobicContact CG1-CG 4.22Å; V127-L131 WeakPolarHBondContact O-CB 3.44Å; V127-L131 WeakPolarHBondContact O-CG 3.39Å; V127-L131 PolarHBondContact O-N 3.13Å
128	T	97.2	Very high	96.3	Very high	27 Å²	27	41 Å²	41	17%	0.166	21%	0.207	C	C	.	.	H	α-helix	trans	-60.6	-52.2	175.4	-55.1	0	0	0	0	110.9	P40 H124 D125 L126 A130 L131 I132 L235	P40-T128 WeakPolarHBondContact CG-OG1 3.4Å; H124-T128 WeakPolarHBondContact O-CB 3.49Å; H124-T128 PolarHBondContact O-N 3.3Å; H124-T128 PolarHBondContact O-OG1 3.39Å; D125-T128 WeakPolarHBondContact O-CB 3.18Å; D125-T128 PolarHBondContact O-N 2.88Å; L126-T128 VanDerWaalsContact C-N 3.31Å; L126-T128 PolarHBondContact O-N 3.21Å; T128-A130 VanDerWaalsContact C-N 3.31Å; T128-A130 PolarHBondContact O-N 2.81Å; T128-L131 PolarHBondContact O-N 2.86Å; T128-I132 HydrophobicContact CG2-CD1 4.01Å; T128-I132 VanDerWaalsContact O-CG1 3.3Å; T128-I132 WeakPolarHBondContact O-CG1 3.44Å; T128-I132 PolarHBondContact O-N 3.46Å; T128-L235 HydrophobicContact CG2-CD1 3.75Å
129	D	96.8	Very high	96.3	Very high	9 Å²	9	43.3 Å²	43.3	5%	0.048	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-38	178.5	-170	83.3	0	0	0	111.7	K118 F120 D125 L126 T133 G234 L235	K118-D129 VanDerWaalsContact CD-OD2 3.31Å; K118-D129 WeakPolarHBondContact CD-OD2 3.35Å; K118-D129 VanDerWaalsContact NZ-CG 3.32Å; K118-D129 IonicContact NZ-OD1 2.68Å; K118-D129 PolarHBondContact NZ-OD1 3.27Å; K118-D129 IonicContact NZ-OD2 3.09Å; K118-D129 PolarHBondContact NZ-OD2 3.25Å; F120-D129 HydrophobicContact CE1-CB 3.57Å; F120-D129 HydrophobicContact CZ-CB 3.65Å; D125-D129 PolarHBondContact O-N 3.21Å; L126-D129 PolarHBondContact O-N 3.5Å; D129-T133 WeakPolarHBondContact O-CB 3.29Å; D129-T133 PolarHBondContact O-N 2.97Å; D129-T133 PolarHBondContact O-OG1 3.14Å; D129-G234 VanDerWaalsContact OD1-CA 3.32Å; D129-G234 WeakPolarHBondContact OD1-CA 3.42Å; D129-L235 HydrophobicContact CB-CB 4.13Å; D129-L235 PolarHBondContact OD1-N 2.9Å
130	A	96.6	Very high	96.3	Very high	22 Å²	22	39.1 Å²	39.1	18%	0.182	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-47.5	176.3	0	0	0	0	0	112.1	L96 L126 V127 T128 T133 L134	L96-A130 HydrophobicContact CD2-CB 4.36Å; L126-A130 VanDerWaalsContact O-CB 3.29Å; L126-A130 WeakPolarHBondContact O-CB 3.27Å; L126-A130 PolarHBondContact O-N 3.43Å; V127-A130 PolarHBondContact O-N 3.41Å; T128-A130 VanDerWaalsContact C-N 3.31Å; T128-A130 PolarHBondContact O-N 2.81Å; A130-T133 PolarHBondContact O-N 2.77Å; A130-L134 WeakPolarHBondContact O-CB 3.44Å; A130-L134 VanDerWaalsContact O-CG 3.23Å; A130-L134 WeakPolarHBondContact O-CG 3.4Å; A130-L134 PolarHBondContact O-N 2.86Å
131	L	97.6	Very high	96.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-64.7	-40.2	178.5	-74.2	171.6	0	0	0	112.1	P38 P40 L96 F98 V127 T128 Y135	P38-L131 HydrophobicContact CG-CB 4.32Å; P38-L131 HydrophobicContact CG-CD2 4.07Å; P38-L131 WeakPolarHBondContact O-CB 3.38Å; P38-L131 WeakPolarHBondContact O-CD1 3.47Å; P40-L131 HydrophobicContact CB-CD1 4.4Å; P40-L131 HydrophobicContact CG-CD1 4.24Å; L96-L131 HydrophobicContact CD1-CD1 4.36Å; L96-L131 HydrophobicContact CD1-CD2 3.89Å; L96-L131 HydrophobicContact CD1-CG 4.16Å; L96-L131 HydrophobicContact CD2-CD2 3.99Å; L96-L131 HydrophobicContact CD2-CG 4.3Å; L96-L131 HydrophobicContact CG-CD2 4.16Å; F98-L131 HydrophobicContact CD2-CD2 3.92Å; V127-L131 HydrophobicContact CG1-CD1 3.87Å; V127-L131 HydrophobicContact CG1-CG 4.22Å; V127-L131 WeakPolarHBondContact O-CB 3.44Å; V127-L131 WeakPolarHBondContact O-CG 3.39Å; V127-L131 PolarHBondContact O-N 3.13Å; T128-L131 PolarHBondContact O-N 2.86Å; L131-Y135 WeakPolarHBondContact O-CB 3.39Å; L131-Y135 PolarHBondContact O-N 3.39Å
132	I	97.1	Very high	96	Very high	17 Å²	17	40.6 Å²	40.6	9%	0.087	22%	0.219	C	C	.	.	H	α-helix	trans	-59.2	-49.4	172.7	-70.3	166.8	0	0	0	110.3	Q34 A37 T128 Y135 I136 W233	Q34-I132 HydrophobicContact CB-CG2 4.4Å; Q34-I132 HydrophobicContact CG-CD1 4.04Å; Q34-I132 HydrophobicContact CG-CG1 4.14Å; Q34-I132 HydrophobicContact CG-CG2 3.78Å; A37-I132 HydrophobicContact CB-CG1 4.05Å; T128-I132 HydrophobicContact CG2-CD1 4.01Å; T128-I132 VanDerWaalsContact O-CG1 3.3Å; T128-I132 WeakPolarHBondContact O-CG1 3.44Å; T128-I132 PolarHBondContact O-N 3.46Å; I132-Y135 PolarHBondContact O-N 3Å; I132-I136 HydrophobicContact CG2-CD1 3.76Å; I132-I136 WeakPolarHBondContact O-CB 3.34Å; I132-I136 WeakPolarHBondContact O-CG1 3.45Å; I132-I136 PolarHBondContact O-N 2.88Å; I132-W233 HydrophobicContact CG2-CB 4.49Å
133	T	95.9	Very high	95.8	Very high	30 Å²	30	42.5 Å²	42.5	18%	0.184	22%	0.221	C	C	.	.	H	α-helix	trans	-62	-50.9	-178.2	-58.5	0	0	0	0	110.8	D129 A130 Y135 I136 E137	D129-T133 WeakPolarHBondContact O-CB 3.29Å; D129-T133 PolarHBondContact O-N 2.97Å; D129-T133 PolarHBondContact O-OG1 3.14Å; A130-T133 PolarHBondContact O-N 2.77Å; T133-Y135 VanDerWaalsContact C-N 3.33Å; T133-Y135 PolarHBondContact O-N 3.07Å; T133-I136 PolarHBondContact O-N 3.27Å; T133-E137 HydrophobicContact CG2-CG 4.25Å; T133-E137 WeakPolarHBondContact CG2-OE1 3.02Å; T133-E137 VanDerWaalsContact O-CB 3.3Å; T133-E137 WeakPolarHBondContact O-CB 3.3Å; T133-E137 VanDerWaalsContact O-CG 3.32Å; T133-E137 WeakPolarHBondContact O-CG 3.33Å; T133-E137 PolarHBondContact O-N 3.19Å
134	L	96.4	Very high	95.5	Very high	30 Å²	30	43.5 Å²	43.5	16%	0.157	23%	0.226	C	C	.	.	H	α-helix	trans	-57.6	-44.5	177.7	-73	168.6	0	0	0	111.9	L96 F98 L103 A130 T138	L96-L134 HydrophobicContact CD2-CD1 3.86Å; F98-L134 HydrophobicContact CB-CD1 4.25Å; F98-L134 HydrophobicContact CD1-CB 4.05Å; F98-L134 HydrophobicContact CD1-CD1 4.32Å; F98-L134 HydrophobicContact CD2-CB 4.09Å; F98-L134 HydrophobicContact CD2-CD1 4.41Å; F98-L134 HydrophobicContact CE1-CB 3.84Å; F98-L134 HydrophobicContact CE2-CB 3.88Å; F98-L134 HydrophobicContact CG-CB 4.18Å; F98-L134 HydrophobicContact CG-CD1 4.06Å; F98-L134 HydrophobicContact CZ-CB 3.77Å; L103-L134 HydrophobicContact CD1-CD1 3.6Å; L103-L134 HydrophobicContact CD1-CD2 3.94Å; L103-L134 HydrophobicContact CD1-CG 4.44Å; A130-L134 WeakPolarHBondContact O-CB 3.44Å; A130-L134 VanDerWaalsContact O-CG 3.23Å; A130-L134 WeakPolarHBondContact O-CG 3.4Å; A130-L134 PolarHBondContact O-N 2.86Å; L134-T138 WeakPolarHBondContact O-CB 3.46Å; L134-T138 PolarHBondContact O-N 3.24Å; L134-T138 PolarHBondContact O-OG1 3.31Å
135	Y	97.4	Very high	95.2	Very high	30 Å²	30	42.8 Å²	42.8	12%	0.118	24%	0.235	C	C	.	.	H	α-helix	trans	-64.7	-48.4	-179.2	-167.7	-99.5	0	0	0	112.8	L33 E36 A37 P38 F98 L131 I132 T133 T138 K139	L33-Y135 HydrophobicContact CD2-CE1 4.26Å; L33-Y135 VanDerWaalsContact O-CD1 3.28Å; L33-Y135 WeakPolarHBondContact O-CD1 3.45Å; L33-Y135 WeakPolarHBondContact O-CE1 3.3Å; E36-Y135 HydrophobicContact CB-CE1 3.67Å; E36-Y135 WeakPolarHBondContact CB-OH 3.4Å; E36-Y135 PolarHBondContact OE2-OH 3.49Å; A37-Y135 HydrophobicContact CB-CD1 3.96Å; A37-Y135 HydrophobicContact CB-CG 3.99Å; P38-Y135 VanDerWaalsContact CD-CD2 3.44Å; P38-Y135 HydrophobicContact CG-CD2 4.4Å; F98-Y135 HydrophobicContact CE2-CD2 4.2Å; F98-Y135 HydrophobicContact CZ-CD2 4.46Å; L131-Y135 WeakPolarHBondContact O-CB 3.39Å; L131-Y135 PolarHBondContact O-N 3.39Å; I132-Y135 PolarHBondContact O-N 3Å; T133-Y135 VanDerWaalsContact C-N 3.33Å; T133-Y135 PolarHBondContact O-N 3.07Å; Y135-T138 PolarHBondContact O-N 3.1Å; Y135-K139 HydrophobicContact CD1-CD 4.29Å; Y135-K139 HydrophobicContact CE1-CD 3.66Å; Y135-K139 HydrophobicContact CE2-CD 4.24Å; Y135-K139 WeakPolarHBondContact O-CB 3.43Å; Y135-K139 PolarHBondContact O-N 2.95Å; Y135-K139 VanDerWaalsContact OH-CE 3.22Å; Y135-K139 WeakPolarHBondContact OH-CE 3.32Å; Y135-K139 PolarHBondContact OH-NZ 3.23Å
136	I	94.8	Very high	94.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-66.6	-47.3	-179.7	-72.2	173.5	0	0	0	110.8	L30 L33 Q34 I132 T133 T138 K139 A140 I144 W233	L30-I136 HydrophobicContact CD2-CG2 4.11Å; L33-I136 HydrophobicContact CB-CG1 3.83Å; Q34-I136 HydrophobicContact CB-CD1 3.97Å; I132-I136 HydrophobicContact CG2-CD1 3.76Å; I132-I136 WeakPolarHBondContact O-CB 3.34Å; I132-I136 WeakPolarHBondContact O-CG1 3.45Å; I132-I136 PolarHBondContact O-N 2.88Å; T133-I136 PolarHBondContact O-N 3.27Å; I136-T138 VanDerWaalsContact C-N 3.31Å; I136-T138 PolarHBondContact O-N 3.16Å; I136-K139 PolarHBondContact O-N 2.86Å; I136-A140 WeakPolarHBondContact O-CA 3.24Å; I136-A140 WeakPolarHBondContact O-CB 3.34Å; I136-A140 PolarHBondContact O-N 3.29Å; I136-I144 HydrophobicContact CG2-CD1 3.78Å; I136-W233 HydrophobicContact CD1-CB 3.4Å; I136-W233 VanDerWaalsContact CD1-CB 3.4Å; I136-W233 HydrophobicContact CD1-CD2 4.3Å; I136-W233 HydrophobicContact CD1-CG 3.49Å; I136-W233 VanDerWaalsContact CD1-CG 3.49Å; I136-W233 HydrophobicContact CG2-CD2 4.1Å; I136-W233 HydrophobicContact CG2-CG 4.32Å; I136-W233 HydrophobicContact CG2-CZ2 4.48Å
137	E	95.2	Very high	94.6	Very high	100 Å²	100	46.9 Å²	46.9	47%	0.467	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-36.7	180	-70.4	-178.5	174.5	0	0	111.5	T133 A141	T133-E137 HydrophobicContact CG2-CG 4.25Å; T133-E137 WeakPolarHBondContact CG2-OE1 3.02Å; T133-E137 VanDerWaalsContact O-CB 3.3Å; T133-E137 WeakPolarHBondContact O-CB 3.3Å; T133-E137 VanDerWaalsContact O-CG 3.32Å; T133-E137 WeakPolarHBondContact O-CG 3.33Å; T133-E137 PolarHBondContact O-N 3.19Å; E137-A141 WeakPolarHBondContact O-CA 3.26Å; E137-A141 VanDerWaalsContact O-CB 3.27Å; E137-A141 WeakPolarHBondContact O-CB 3.37Å; E137-A141 PolarHBondContact O-N 2.75Å; E137-A141 VanDerWaalsContact O-N 3.13Å
138	T	95.4	Very high	94.1	Very high	95 Å²	95	48.3 Å²	48.3	58%	0.583	26%	0.259	S	S	*	.	H	α-helix	trans	-68.9	-45.6	177.1	-57.4	0	0	0	0	112	L134 Y135 I136	L134-T138 WeakPolarHBondContact O-CB 3.46Å; L134-T138 PolarHBondContact O-N 3.24Å; L134-T138 PolarHBondContact O-OG1 3.31Å; Y135-T138 PolarHBondContact O-N 3.1Å; I136-T138 VanDerWaalsContact C-N 3.31Å; I136-T138 PolarHBondContact O-N 3.16Å
139	K	94.8	Very high	93.5	Very high	104 Å²	104	51.6 Å²	51.6	45%	0.452	28%	0.28	S	S	.	.	H	α-helix	trans	-81.2	-26.9	-176	-79.1	-166.3	166	-167.9	0	114.3	L33 E36 Y135 I136	L33-K139 HydrophobicContact CD1-CB 4.3Å; L33-K139 HydrophobicContact CD2-CB 4.25Å; L33-K139 HydrophobicContact CD2-CD 3.75Å; E36-K139 IonicContact OE2-NZ 3.86Å; E36-K139 PolarHBondContact OE2-NZ 3.5Å; Y135-K139 HydrophobicContact CD1-CD 4.29Å; Y135-K139 HydrophobicContact CE1-CD 3.66Å; Y135-K139 HydrophobicContact CE2-CD 4.24Å; Y135-K139 WeakPolarHBondContact O-CB 3.43Å; Y135-K139 PolarHBondContact O-N 2.95Å; Y135-K139 VanDerWaalsContact OH-CE 3.22Å; Y135-K139 WeakPolarHBondContact OH-CE 3.32Å; Y135-K139 PolarHBondContact OH-NZ 3.23Å; I136-K139 PolarHBondContact O-N 2.86Å
140	A	94.2	Very high	92.6	Very high	2 Å²	2	57.4 Å²	57.4	2%	0.017	31%	0.311	C	S	.	.	H	α-helix	trans	-124.9	19.2	-170.6	0	0	0	0	0	113.6	Y29 L30 L33 I136 E142 Y143 I144	Y29-A140 HydrophobicContact CE1-CB 3.74Å; L30-A140 HydrophobicContact CD2-CB 3.86Å; L33-A140 HydrophobicContact CD1-CB 3.63Å; I136-A140 WeakPolarHBondContact O-CA 3.24Å; I136-A140 WeakPolarHBondContact O-CB 3.34Å; I136-A140 PolarHBondContact O-N 3.29Å; A140-E142 PolarHBondContact O-N 3.04Å; A140-Y143 WeakPolarHBondContact O-CB 3.46Å; A140-Y143 PolarHBondContact O-N 3.45Å; A140-I144 HydrophobicContact CB-CD1 4.1Å; A140-I144 HydrophobicContact CB-CG1 4.21Å; A140-I144 WeakPolarHBondContact O-CB 3.37Å; A140-I144 VanDerWaalsContact O-CG1 3.27Å; A140-I144 WeakPolarHBondContact O-CG1 3.5Å; A140-I144 PolarHBondContact O-N 3.29Å
141	A	93.1	Very high	91.9	Very high	58 Å²	58	57.8 Å²	57.8	48%	0.479	31%	0.311	S	S	.	.	H	α-helix	trans	-45.9	-55.2	179.5	0	0	0	0	0	113.1	E137 Y143 I144 A145	E137-A141 WeakPolarHBondContact O-CA 3.26Å; E137-A141 VanDerWaalsContact O-CB 3.27Å; E137-A141 WeakPolarHBondContact O-CB 3.37Å; E137-A141 PolarHBondContact O-N 2.75Å; E137-A141 VanDerWaalsContact O-N 3.13Å; A141-Y143 VanDerWaalsContact C-N 3.32Å; A141-Y143 PolarHBondContact O-N 3.08Å; A141-I144 PolarHBondContact O-N 2.89Å; A141-A145 WeakPolarHBondContact O-CB 3.4Å; A141-A145 PolarHBondContact O-N 3.23Å
142	E	92.3	Very high	91	Very high	145 Å²	145	59 Å²	59	68%	0.678	32%	0.318	S	S	*	.	H	α-helix	trans	-64.8	-35.9	-179.4	-65.5	-170.6	-170.1	0	0	112.9	A140 K146	A140-E142 PolarHBondContact O-N 3.04Å; E142-K146 WeakPolarHBondContact O-CG 3.5Å; E142-K146 PolarHBondContact O-N 3.4Å
143	Y	91.4	Very high	90	Very high	76 Å²	76	59.1 Å²	59.1	30%	0.298	32%	0.317	S	S	.	.	H	α-helix	trans	-68.3	-45.3	178.7	179.7	-90.7	0	0	0	111.3	Y29 L30 A140 A141 A145 K146 M147 N230	Y29-Y143 AromaticContact CD1-CD1 3.68Å; Y29-Y143 HydrophobicContact CD1-CD1 3.68Å; Y29-Y143 HydrophobicContact CD1-CD2 4.06Å; Y29-Y143 AromaticContact CD1-CE1 3.73Å; Y29-Y143 HydrophobicContact CD1-CE1 3.73Å; Y29-Y143 HydrophobicContact CD1-CE2 4.1Å; Y29-Y143 AromaticContact CD1-CG 3.83Å; Y29-Y143 HydrophobicContact CD1-CG 3.83Å; Y29-Y143 AromaticContact CD1-CZ 3.93Å; Y29-Y143 AromaticContact CE1-CD1 3.98Å; Y29-Y143 HydrophobicContact CE1-CD1 3.98Å; Y29-Y143 HydrophobicContact CE1-CD2 4.2Å; Y29-Y143 HydrophobicContact CE1-CE1 4.48Å; Y29-Y143 AromaticContact CE1-CG 3.81Å; Y29-Y143 HydrophobicContact CE1-CG 3.81Å; L30-Y143 HydrophobicContact CD1-CE1 4.48Å; L30-Y143 HydrophobicContact CD2-CD1 3.97Å; L30-Y143 HydrophobicContact CD2-CE1 4.18Å; L30-Y143 HydrophobicContact CG-CD1 4.41Å; L30-Y143 HydrophobicContact CG-CE1 4.14Å; A140-Y143 WeakPolarHBondContact O-CB 3.46Å; A140-Y143 PolarHBondContact O-N 3.45Å; A141-Y143 VanDerWaalsContact C-N 3.32Å; A141-Y143 PolarHBondContact O-N 3.08Å; Y143-A145 VanDerWaalsContact C-N 3.32Å; Y143-A145 PolarHBondContact O-N 3.12Å; Y143-K146 CarbonylContact O-C 3.57Å; Y143-K146 PolarHBondContact O-N 2.8Å; Y143-K146 VanDerWaalsContact O-N 3.12Å; Y143-M147 PolarHBondContact O-N 3.45Å; Y143-N230 VanDerWaalsContact CE1-OD1 3.32Å; Y143-N230 WeakPolarHBondContact CE1-OD1 3.5Å; Y143-N230 PolarHBondContact OH-OD1 3.43Å
144	I	91.6	Very high	88.6	Confident	27 Å²	27	64.5 Å²	64.5	14%	0.138	34%	0.34	C	S	.	.	H	α-helix	trans	-61.6	-42.6	177	-66.6	164.2	0	0	0	109.8	L30 I136 A140 A141 K146 M147 W233	L30-I144 HydrophobicContact CD1-CG1 4.49Å; L30-I144 HydrophobicContact CD2-CG1 4.22Å; I136-I144 HydrophobicContact CG2-CD1 3.78Å; A140-I144 HydrophobicContact CB-CD1 4.1Å; A140-I144 HydrophobicContact CB-CG1 4.21Å; A140-I144 WeakPolarHBondContact O-CB 3.37Å; A140-I144 VanDerWaalsContact O-CG1 3.27Å; A140-I144 WeakPolarHBondContact O-CG1 3.5Å; A140-I144 PolarHBondContact O-N 3.29Å; A141-I144 PolarHBondContact O-N 2.89Å; I144-K146 PolarHBondContact O-N 3.22Å; I144-M147 HydrophobicContact CG2-CE 3.88Å; I144-M147 HydrophobicContact CG2-SD 4.31Å; I144-M147 WeakPolarHBondContact O-CB 3.45Å; I144-M147 WeakPolarHBondContact O-CG 3.43Å; I144-M147 PolarHBondContact O-N 3.11Å; I144-M147 VanDerWaalsContact O-N 3.16Å; I144-W233 HydrophobicContact CD1-CH2 4.2Å; I144-W233 HydrophobicContact CD1-CZ2 4.38Å; I144-W233 HydrophobicContact CG1-CH2 4.38Å; I144-W233 HydrophobicContact CG2-CH2 4.18Å
145	A	90.7	Very high	86.8	Confident	73 Å²	73	70.6 Å²	70.6	60%	0.603	37%	0.368	S	S	*	.	H	α-helix	trans	-60.7	-30.7	176.4	0	0	0	0	0	113	A141 Y143	A141-A145 WeakPolarHBondContact O-CB 3.4Å; A141-A145 PolarHBondContact O-N 3.23Å; Y143-A145 VanDerWaalsContact C-N 3.32Å; Y143-A145 PolarHBondContact O-N 3.12Å
146	K	90.5	Very high	84.7	Confident	132 Å²	132	72.1 Å²	72.1	57%	0.574	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.2	-179.8	-66.4	170.6	-174.7	167.7	0	113.6	E142 Y143 I144 T148 T149	E142-K146 WeakPolarHBondContact O-CG 3.5Å; E142-K146 PolarHBondContact O-N 3.4Å; Y143-K146 CarbonylContact O-C 3.57Å; Y143-K146 PolarHBondContact O-N 2.8Å; Y143-K146 VanDerWaalsContact O-N 3.12Å; I144-K146 PolarHBondContact O-N 3.22Å; K146-T148 PolarHBondContact O-N 3.25Å; K146-T148 VanDerWaalsContact O-N 3.11Å; K146-T149 PolarHBondContact O-N 3.19Å; K146-T149 PolarHBondContact O-OG1 3.4Å
147	M	89.6	Confident	82.5	Confident	8 Å²	8	72.3 Å²	72.3	4%	0.039	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-19.3	-172.2	79.1	-178.2	163.4	0	0	113.7	Y143 I144 C228 W233 Q252	Y143-M147 PolarHBondContact O-N 3.45Å; I144-M147 HydrophobicContact CG2-CE 3.88Å; I144-M147 HydrophobicContact CG2-SD 4.31Å; I144-M147 WeakPolarHBondContact O-CB 3.45Å; I144-M147 WeakPolarHBondContact O-CG 3.43Å; I144-M147 PolarHBondContact O-N 3.11Å; I144-M147 VanDerWaalsContact O-N 3.16Å; M147-C228 HydrophobicContact CG-CB 4.46Å; M147-C228 WeakPolarHBondContact O-CB 3.28Å; M147-W233 HydrophobicContact CE-CH2 4.3Å; M147-W233 HydrophobicContact CE-CZ3 4.4Å; M147-Q252 VanDerWaalsContact CE-CD 3.42Å; M147-Q252 HydrophobicContact CE-CG 3.63Å
148	T	86.9	Confident	80	Confident	29 Å²	29	70.4 Å²	70.4	18%	0.178	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-8.2	-178.8	49.1	0	0	0	0	114.1	K146 N150 Y227 L256	K146-T148 PolarHBondContact O-N 3.25Å; K146-T148 VanDerWaalsContact O-N 3.11Å; T148-N150 PolarHBondContact O-N 3.02Å; T148-Y227 HydrophobicContact CG2-CE1 4.1Å; T148-L256 HydrophobicContact CG2-CD1 3.41Å; T148-L256 VanDerWaalsContact CG2-CD1 3.41Å
149	T	85.4	Confident	77.5	Confident	97 Å²	97	68.8 Å²	68.8	60%	0.595	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-38.8	-173.3	-52.7	0	0	0	0	112.3	K146	K146-T149 PolarHBondContact O-N 3.19Å; K146-T149 PolarHBondContact O-OG1 3.4Å
150	N	78.3	Confident	74.9	Confident	130 Å²	130	66.8 Å²	66.8	70%	0.695	37%	0.365	S	S	*	.	S	Bend	trans	-126.1	82	177.9	-66.4	-24.2	0	0	0	109.3	T148	T148-N150 PolarHBondContact O-N 3.02Å
151	P	80.8	Confident	72.2	Confident	30 Å²	30	72.3 Å²	72.3	20%	0.195	39%	0.394	C	S	.	.			trans	-72.2	148.5	-178.7	31.5	-34.5	0	0	0	111.4	Y153 Y227	P151-Y153 VanDerWaalsContact C-N 3.33Å; P151-Y227 WeakPolarHBondContact CA-O 3.3Å; P151-Y227 HydrophobicContact CB-CD1 4.08Å; P151-Y227 HydrophobicContact CB-CD2 4.29Å; P151-Y227 HydrophobicContact CB-CE1 3.61Å; P151-Y227 HydrophobicContact CB-CE2 3.85Å; P151-Y227 HydrophobicContact CB-CG 4.39Å; P151-Y227 VanDerWaalsContact CB-CZ 3.47Å; P151-Y227 WeakPolarHBondContact CB-O 3.49Å; P151-Y227 HydrophobicContact CG-CE1 4.43Å; P151-Y227 HydrophobicContact CG-CE2 4.38Å
152	I	78.8	Confident	69.7	Low	27 Å²	27	73.3 Å²	73.3	14%	0.138	39%	0.391	C	S	.	.	S	Bend	trans	-86.8	-10.9	173.4	54.2	155.7	0	0	0	111.9	I25 W26 E154 H155 L156 Y227 A229	I25-I152 HydrophobicContact CG2-CD1 4.28Å; W26-I152 HydrophobicContact CH2-CD1 4.43Å; W26-I152 HydrophobicContact CZ3-CD1 3.94Å; I152-E154 VanDerWaalsContact C-N 3.3Å; I152-E154 PolarHBondContact O-N 3.26Å; I152-H155 PolarHBondContact O-N 2.82Å; I152-L156 HydrophobicContact CB-CD1 3.6Å; I152-L156 HydrophobicContact CB-CG 4.48Å; I152-L156 HydrophobicContact CD1-CD1 2.99Å; I152-L156 HydrophobicContact CD1-CG 4.44Å; I152-L156 HydrophobicContact CG1-CD1 3.6Å; I152-L156 PolarHBondContact O-N 2.98Å; I152-Y227 WeakPolarHBondContact CG1-O 3.29Å; I152-Y227 PolarHBondContact N-O 3.24Å; I152-A229 HydrophobicContact CB-CB 4.4Å; I152-A229 VanDerWaalsContact CD1-CA 3.44Å; I152-A229 HydrophobicContact CD1-CB 3.13Å; I152-A229 HydrophobicContact CG1-CB 3.71Å; I152-A229 HydrophobicContact CG2-CB 3.9Å
153	Y	76.4	Confident	67.1	Low	18 Å²	18	73.1 Å²	73.1	7%	0.071	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-44.3	-171.6	-171.2	-103.1	0	0	0	112.8	P151 H155 Y227 L247 V257 P258 D260	P151-Y153 VanDerWaalsContact C-N 3.33Å; Y153-H155 VanDerWaalsContact C-N 3.27Å; Y153-H155 PolarHBondContact O-N 3.45Å; Y153-Y227 HydrophobicContact CD2-CD2 4.23Å; Y153-Y227 AromaticContact CG-CD2 3.87Å; Y153-Y227 HydrophobicContact CG-CD2 3.87Å; Y153-Y227 HydrophobicContact CG-CE2 4.5Å; Y153-Y227 PolarHBondContact N-O 2.85Å; Y153-L247 HydrophobicContact CE2-CD1 4.02Å; Y153-L247 HydrophobicContact CE2-CD2 3.73Å; Y153-V257 HydrophobicContact CE1-CG1 4.29Å; Y153-V257 HydrophobicContact CE2-CG1 4.11Å; Y153-P258 HydrophobicContact CD1-CG 4.3Å; Y153-P258 HydrophobicContact CE1-CG 4.09Å; Y153-D260 WeakPolarHBondContact CE1-OD2 3.37Å; Y153-D260 VanDerWaalsContact OH-CG 3.28Å; Y153-D260 PolarHBondContact OH-OD1 3.14Å; Y153-D260 PolarHBondContact OH-OD2 3.08Å
154	E	66.4	Low	64.3	Low	143 Å²	143	74.2 Å²	74.2	67%	0.668	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-27.3	-179.8	-63.3	-172.8	169.8	0	0	112.8	I152	I152-E154 VanDerWaalsContact C-N 3.3Å; I152-E154 PolarHBondContact O-N 3.26Å
155	H	59	Low	61.7	Low	159 Å²	159	79.8 Å²	79.8	74%	0.736	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-25.4	-175.9	-61.8	-61.2	0	0	0	113.5	I152 Y153 G157	I152-H155 PolarHBondContact O-N 2.82Å; Y153-H155 VanDerWaalsContact C-N 3.27Å; Y153-H155 PolarHBondContact O-N 3.45Å; H155-G157 VanDerWaalsContact C-N 3.34Å; H155-G157 PolarHBondContact O-N 2.77Å
156	L	54.2	Low	59.1	Low	62 Å²	62	81.8 Å²	81.8	33%	0.325	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	2.3	-175.3	-87.8	159.7	0	0	0	115.9	I25 I152 C158	I25-L156 HydrophobicContact CD1-CD2 4.16Å; I25-L156 HydrophobicContact CG2-CD1 3.68Å; I25-L156 HydrophobicContact CG2-CD2 4.08Å; I25-L156 HydrophobicContact CG2-CG 4.34Å; I152-L156 HydrophobicContact CB-CD1 3.6Å; I152-L156 HydrophobicContact CB-CG 4.48Å; I152-L156 HydrophobicContact CD1-CD1 2.99Å; I152-L156 HydrophobicContact CD1-CG 4.44Å; I152-L156 HydrophobicContact CG1-CD1 3.6Å; I152-L156 PolarHBondContact O-N 2.98Å; L156-C158 PolarHBondContact O-N 3.39Å
157	G	47.9	Very low	56.6	Low	4 Å²	4	79.7 Å²	79.7	4%	0.041	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	44.1	154.4	0	0	0	0	0	115.6	H155 T159 S160 L161	H155-G157 VanDerWaalsContact C-N 3.34Å; H155-G157 PolarHBondContact O-N 2.77Å; G157-T159 PolarHBondContact O-N 3.27Å; G157-S160 WeakPolarHBondContact CA-OG 3.41Å; G157-S160 PolarHBondContact O-N 2.84Å; G157-L161 PolarHBondContact O-N 3.33Å
158	C	41.9	Very low	53.9	Low	59 Å²	59	86.4 Å²	86.4	40%	0.399	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-20.8	150.9	-78.2	0	0	0	0	111.1	L156	L156-C158 PolarHBondContact O-N 3.39Å
159	T	44.3	Very low	51.4	Low	62 Å²	62	95.5 Å²	95.5	38%	0.38	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-21.8	175.4	53.4	0	0	0	0	114.8	G157 K163	G157-T159 PolarHBondContact O-N 3.27Å; T159-K163 VanDerWaalsContact O-CD 3.32Å; T159-K163 WeakPolarHBondContact O-CD 3.35Å; T159-K163 VanDerWaalsContact O-CG 3.24Å; T159-K163 WeakPolarHBondContact O-CG 3.28Å
160	S	39	Very low	49	Very low	61 Å²	61	97.7 Å²	97.7	43%	0.427	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-42.4	-176.5	54.8	0	0	0	0	113.8	G157 L162 K163 D164	G157-S160 WeakPolarHBondContact CA-OG 3.41Å; G157-S160 PolarHBondContact O-N 2.84Å; S160-L162 VanDerWaalsContact C-N 3.26Å; S160-L162 PolarHBondContact O-N 3.34Å; S160-K163 PolarHBondContact O-N 3.23Å; S160-D164 PolarHBondContact O-N 3.33Å
161	L	38.9	Very low	46.8	Very low	119 Å²	119	96.2 Å²	96.2	62%	0.623	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-16.4	-179.1	-72.1	168.2	0	0	0	114	G157	G157-L161 PolarHBondContact O-N 3.33Å
162	L	39.4	Very low	44.4	Very low	78 Å²	78	106.3 Å²	106.3	41%	0.408	52%	0.522	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-23.8	172.5	-70.7	170.4	0	0	0	112.9	S160 K165 M166	S160-L162 VanDerWaalsContact C-N 3.26Å; S160-L162 PolarHBondContact O-N 3.34Å; L162-K165 PolarHBondContact O-N 3.21Å; L162-M166 PolarHBondContact O-N 3.48Å
163	K	38.6	Very low	42.3	Very low	141 Å²	141	108.1 Å²	108.1	61%	0.613	55%	0.548	S	S	*	.	H	α-helix	trans	-66	-39.1	171.3	-84.7	178.6	-179.7	179.5	0	111.9	T159 S160 K165 M166 V167	T159-K163 VanDerWaalsContact O-CD 3.32Å; T159-K163 WeakPolarHBondContact O-CD 3.35Å; T159-K163 VanDerWaalsContact O-CG 3.24Å; T159-K163 WeakPolarHBondContact O-CG 3.28Å; S160-K163 PolarHBondContact O-N 3.23Å; K163-K165 VanDerWaalsContact C-N 3.3Å; K163-K165 PolarHBondContact O-N 2.81Å; K163-M166 WeakPolarHBondContact O-CB 3.43Å; K163-M166 PolarHBondContact O-N 2.84Å; K163-V167 PolarHBondContact O-N 2.81Å
164	D	32.4	Very low	40	Very low	99 Å²	99	118.8 Å²	118.8	53%	0.529	59%	0.588	S	S	.	*	H	α-helix	trans	-67.4	-28.6	-179.7	-73	-20.7	0	0	0	113.3	S160 H168	S160-D164 PolarHBondContact O-N 3.33Å; D164-H168 PolarHBondContact O-CD2 3.28Å; D164-H168 PolarHBondContact O-N 3.16Å
165	K	35.7	Very low	38.2	Very low	144 Å²	144	118.8 Å²	118.8	63%	0.626	60%	0.598	S	S	*	*	H	α-helix	trans	-74	-26.1	173	-71.1	-178.1	-178.9	171.9	0	113	L162 K163	L162-K165 PolarHBondContact O-N 3.21Å; K163-K165 VanDerWaalsContact C-N 3.3Å; K163-K165 PolarHBondContact O-N 2.81Å
166	M	36.1	Very low	36.7	Very low	115 Å²	115	120 Å²	120	57%	0.567	60%	0.604	S	S	*	*	H	α-helix	trans	-72.9	-42.9	174.7	-100.5	178.1	164.4	0	0	111.7	L162 K163 R169	L162-M166 PolarHBondContact O-N 3.48Å; K163-M166 WeakPolarHBondContact O-CB 3.43Å; K163-M166 PolarHBondContact O-N 2.84Å; M166-R169 PolarHBondContact O-N 3.05Å
167	V	37.8	Very low	35.4	Very low	89 Å²	89	122.8 Å²	122.8	54%	0.539	63%	0.626	S	S	.	*	H	α-helix	trans	-68.7	-37	-178.5	179.6	0	0	0	0	112.1	K163 R169 S171	K163-V167 PolarHBondContact O-N 2.81Å; V167-R169 PolarHBondContact O-N 3.31Å; V167-S171 PolarHBondContact O-OG 2.85Å
168	H	34.4	Very low	34.3	Very low	149 Å²	149	134.1 Å²	134.1	69%	0.69	67%	0.667	S	S	*	*	H	α-helix	trans	-75.2	-21.4	-179.5	-82.2	-61.2	0	0	0	115.2	D164	D164-H168 PolarHBondContact O-CD2 3.28Å; D164-H168 PolarHBondContact O-N 3.16Å
169	R	32.8	Very low	33.4	Very low	220 Å²	220	142.9 Å²	142.9	83%	0.83	69%	0.692	S	S	*	*	H	α-helix	trans	-81	-28.5	173.8	-77.6	-172	-170.3	-178.3	4.1	113.2	M166 V167 S171	M166-R169 PolarHBondContact O-N 3.05Å; V167-R169 PolarHBondContact O-N 3.31Å; R169-S171 VanDerWaalsContact C-N 3.3Å; R169-S171 PolarHBondContact O-N 3.31Å
170	L	35.1	Very low	32.4	Very low	143 Å²	143	146 Å²	146	75%	0.749	71%	0.711	S	S	*	*	H	α-helix	trans	-76.2	-14.4	179.8	-75.4	161.1	0	0	0	113.8
171	S	31.9	Very low	31.8	Very low	99 Å²	99	148.9 Å²	148.9	69%	0.692	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-0.8	-177.2	-63.6	0	0	0	0	114.9	V167 R169	V167-S171 PolarHBondContact O-OG 2.85Å; R169-S171 VanDerWaalsContact C-N 3.3Å; R169-S171 PolarHBondContact O-N 3.31Å
172	R	31.6	Very low	31.1	Very low	241 Å²	241	152.7 Å²	152.7	91%	0.909	74%	0.738	S	S	*	*	S	Bend	trans	-107.1	14.7	-172.2	-128.6	176.3	165.4	179.8	-5.6	115.4
173	G	33.7	Very low	30.4	Very low	66 Å²	66	158.1 Å²	158.1	68%	0.68	76%	0.761	S	S	*	*	S	Bend	trans	-141.6	33.7	-172.2	0	0	0	0	0	116.1
174	R	28.5	Very low	29.7	Very low	241 Å²	241	156.8 Å²	156.8	91%	0.909	77%	0.77	S	S	*	*			trans	-129.2	96.9	167.3	-82.4	-171.9	175.6	-165.3	-0	111.1
175	T	29.8	Very low	29.2	Very low	144 Å²	144	160.2 Å²	160.2	88%	0.883	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-63.4	125.5	153.3	26.7	0	0	0	0	108.9
176	E	26	Very low	28.6	Very low	183 Å²	183	160 Å²	160	86%	0.855	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-60.7	141.8	178	-67.6	-165.4	147.5	0	0	112.9
177	P	28	Very low	28.1	Very low	122 Å²	122	164.6 Å²	164.6	79%	0.792	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-95.5	129.5	153.7	25	-11	0	0	0	110.8
178	R	24.8	Very low	27.5	Very low	242 Å²	242	167.2 Å²	167.2	91%	0.913	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-58.4	136.3	173.8	-86.3	173.2	154.4	173.5	-7.4	112.2
179	R	23	Very low	27	Very low	243 Å²	243	165.4 Å²	165.4	92%	0.917	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-59	135.3	170.5	-77.2	175	171.1	169.6	-3	112.2
180	V	23.1	Very low	26.5	Very low	127 Å²	127	159.8 Å²	159.8	77%	0.77	81%	0.813	S	S	*	*			trans	-125.3	120.2	154.9	-176.3	0	0	0	0	107.6	F182	V180-F182 HydrophobicContact CG1-CD2 4.2Å; V180-F182 HydrophobicContact CG1-CE2 4.04Å
181	T	25.9	Very low	26.4	Very low	121 Å²	121	158.4 Å²	158.4	74%	0.742	81%	0.812	S	S	*	*			trans	-88.4	131.3	-179.3	-6.9	0	0	0	0	109.6
182	F	24.4	Very low	26.1	Very low	199 Å²	199	159.6 Å²	159.6	87%	0.873	82%	0.815	S	S	*	*			trans	-144.4	142.2	151.5	-82.2	-72.2	0	0	0	111.4	V180	V180-F182 HydrophobicContact CG1-CD2 4.2Å; V180-F182 HydrophobicContact CG1-CE2 4.04Å
183	Q	24.2	Very low	25.9	Very low	193 Å²	193	154.8 Å²	154.8	90%	0.902	81%	0.812	S	S	*	*			trans	-79.5	155.5	-168.4	-72.1	168.2	-19.3	0	0	112.9
184	S	24.9	Very low	25.6	Very low	113 Å²	113	162.9 Å²	162.9	79%	0.79	82%	0.822	S	S	*	*			trans	-68.8	148.6	174.9	44.7	0	0	0	0	114.1
185	D	22.3	Very low	25.5	Very low	171 Å²	171	163 Å²	163	91%	0.914	82%	0.822	S	S	*	*			trans	-146.8	160.6	154.2	-119.2	-23.8	0	0	0	112.5
186	D	23.3	Very low	25.5	Very low	139 Å²	139	161.6 Å²	161.6	74%	0.743	82%	0.819	S	S	*	*			trans	-106.8	155.8	-139.5	-138.9	-2.6	0	0	0	114
187	R	24.1	Very low	25.5	Very low	211 Å²	211	157.3 Å²	157.3	80%	0.796	82%	0.815	S	S	*	*			trans	128.2	118.3	140.6	-72.5	171.6	-175.2	-152.1	1.8	122
188	I	25.8	Very low	25.7	Very low	145 Å²	145	159.7 Å²	159.7	74%	0.744	82%	0.82	S	S	*	*			trans	75.4	107	130.1	-54.5	162.4	0	0	0	121.3
189	S	23.2	Very low	26	Very low	111 Å²	111	157 Å²	157	78%	0.776	82%	0.815	S	S	*	*				147.1	128.3	106.2	-135.4	0	0	0	0	114.5
190	S	23.6	Very low	26.4	Very low	102 Å²	102	153.4 Å²	153.4	71%	0.713	81%	0.814	S	S	*	*			trans	-66.2	168.8	172	41.7	0	0	0	0	114
191	P	31.9	Very low	26.6	Very low	113 Å²	113	153.3 Å²	153.3	73%	0.734	81%	0.813	S	S	*	*			cis	-144.1	144.8	34	37.1	-14.2	0	0	0	120.4
192	V	25.4	Very low	27	Very low	124 Å²	124	153 Å²	153	75%	0.752	81%	0.813	S	S	*	*				46.1	98.4	128.8	-167.4	0	0	0	0	118.5
193	V	27.1	Very low	27.7	Very low	140 Å²	140	152.3 Å²	152.3	85%	0.848	81%	0.813	S	S	*	*			trans	-131.5	121.7	133.8	-178.5	0	0	0	0	107.5	R195	V193-R195 PolarHBondContact O-N 2.78Å; V193-R195 VanDerWaalsContact O-N 3.11Å
194	R	27.7	Very low	28.2	Very low	236 Å²	236	152.8 Å²	152.8	89%	0.891	81%	0.812	S	S	*	*			trans	-50.9	110.8	-177.6	-74.7	171.6	167.7	149	-4.9	111.6
195	R	27.9	Very low	29	Very low	243 Å²	243	155 Å²	155	92%	0.917	81%	0.814	S	S	*	*			trans	-108.5	107.4	153.6	-78.6	-174.9	-176.9	166.2	1.7	107.8	V193 A197	V193-R195 PolarHBondContact O-N 2.78Å; V193-R195 VanDerWaalsContact O-N 3.11Å; R195-A197 PolarHBondContact O-N 2.78Å
196	S	28.1	Very low	29.8	Very low	116 Å²	116	151.3 Å²	151.3	81%	0.811	80%	0.802	S	S	*	*			trans	-55.2	127.3	170.5	-47.2	0	0	0	0	109	L198	S196-L198 PolarHBondContact O-N 2.78Å
197	A	27.5	Very low	31.2	Very low	93 Å²	93	149.8 Å²	149.8	77%	0.769	80%	0.802	S	S	*	*			trans	-56.9	114.8	179	0	0	0	0	0	111.1	R195 K199	R195-A197 PolarHBondContact O-N 2.78Å; A197-K199 VanDerWaalsContact C-N 3.33Å; A197-K199 PolarHBondContact O-N 2.91Å; A197-K199 VanDerWaalsContact O-N 3.13Å
198	L	31.9	Very low	32.8	Very low	172 Å²	172	142.7 Å²	142.7	90%	0.901	78%	0.776	S	S	*	*			trans	-69.9	99.4	153	-74	164.2	0	0	0	105.7	S196 D200	S196-L198 PolarHBondContact O-N 2.78Å; L198-D200 PolarHBondContact O-N 3.48Å
199	K	30.6	Very low	35.3	Very low	186 Å²	186	142.6 Å²	142.6	81%	0.809	77%	0.772	S	S	*	*			trans	-55.2	128.7	161.5	-88.1	176.9	170.5	178.4	0	107.3	A197 T201	A197-K199 VanDerWaalsContact C-N 3.33Å; A197-K199 PolarHBondContact O-N 2.91Å; A197-K199 VanDerWaalsContact O-N 3.13Å; K199-T201 VanDerWaalsContact C-N 3.29Å; K199-T201 PolarHBondContact O-N 3.26Å
200	D	31.1	Very low	38.1	Very low	167 Å²	167	137.7 Å²	137.7	89%	0.893	74%	0.737	S	S	*	*			trans	-50.4	96	160.8	-75.5	-47.1	0	0	0	109.1	L198	L198-D200 PolarHBondContact O-N 3.48Å
201	T	27.8	Very low	41.1	Very low	124 Å²	124	139.1 Å²	139.1	76%	0.761	74%	0.735	S	S	*	*			trans	-75.6	129	159.4	21.2	0	0	0	0	107.3	K199 E203	K199-T201 VanDerWaalsContact C-N 3.29Å; K199-T201 PolarHBondContact O-N 3.26Å; T201-E203 PolarHBondContact O-N 3.41Å
202	P	35.1	Very low	43.8	Very low	114 Å²	114	134.6 Å²	134.6	74%	0.74	70%	0.704	S	S	*	*			trans	-57.3	136.1	174.2	25.5	-31.4	0	0	0	108.2	K204	P202-K204 PolarHBondContact O-N 3.44Å
203	E	38.6	Very low	46.9	Very low	186 Å²	186	132.1 Å²	132.1	87%	0.869	69%	0.686	S	S	*	*			trans	-38.4	100.9	176.6	-70.7	174.5	153.7	0	0	110.4	T201 L205	T201-E203 PolarHBondContact O-N 3.41Å; E203-L205 PolarHBondContact O-N 2.85Å
204	K	34.3	Very low	50.1	Low	203 Å²	203	127.5 Å²	127.5	88%	0.883	66%	0.655	S	S	*	*			trans	-65.8	90.4	158.4	-97.1	-178.2	173.9	-179.4	0	104.7	P202 S206	P202-K204 PolarHBondContact O-N 3.44Å; K204-S206 PolarHBondContact O-N 3.28Å
205	L	41.3	Very low	53.2	Low	159 Å²	159	122 Å²	122	83%	0.832	64%	0.638	S	S	*	*			trans	-45.9	100.2	145.9	-91.3	148.2	0	0	0	104.9	E203 S207	E203-L205 PolarHBondContact O-N 2.85Å; L205-S207 VanDerWaalsContact C-N 3.32Å; L205-S207 PolarHBondContact O-N 2.74Å
206	S	39.2	Very low	56.4	Low	94 Å²	94	115 Å²	115	66%	0.657	62%	0.622	S	S	*	*			trans	-51.9	103.2	175	178.2	0	0	0	0	105.8	K204 Y208	K204-S206 PolarHBondContact O-N 3.28Å; S206-Y208 PolarHBondContact O-N 3.24Å
207	S	53	Low	59.5	Low	107 Å²	107	112 Å²	112	75%	0.748	60%	0.595	S	S	*	*			trans	-72.9	78.5	-179.4	63.8	0	0	0	0	106.3	L205 E209	L205-S207 VanDerWaalsContact C-N 3.32Å; L205-S207 PolarHBondContact O-N 2.74Å; S207-E209 PolarHBondContact O-N 3.46Å
208	Y	58	Low	62.6	Low	61 Å²	61	110.8 Å²	110.8	24%	0.239	58%	0.578	C	S	.	*			trans	-66.4	123.6	-172.7	167.5	-125.8	0	0	0	109.3	S206 T277 K281 P393 P394	S206-Y208 PolarHBondContact O-N 3.24Å; Y208-T277 HydrophobicContact CE1-CG2 3.4Å; Y208-T277 VanDerWaalsContact CE1-CG2 3.4Å; Y208-T277 WeakPolarHBondContact OH-CG2 3.42Å; Y208-T277 PolarHBondContact OH-OG1 3.14Å; Y208-K281 PolarHBondContact O-NZ 3.41Å; Y208-P393 HydrophobicContact CE2-CB 3.89Å; Y208-P393 WeakPolarHBondContact OH-CB 3.05Å; Y208-P394 HydrophobicContact CD2-CG 3.65Å; Y208-P394 HydrophobicContact CE2-CG 4.24Å; Y208-P394 HydrophobicContact CG-CG 3.87Å
209	E	77.6	Confident	65.2	Low	144 Å²	144	103 Å²	103	67%	0.673	54%	0.537	S	S	*	.			trans	-76.9	119.9	-177.6	-69	179.2	-171.7	0	0	110.3	S207 S259	S207-E209 PolarHBondContact O-N 3.46Å; E209-S259 CarbonylContact C-O 3.41Å; E209-S259 WeakPolarHBondContact CA-O 3.32Å
210	K	81.6	Confident	67.7	Low	7 Å²	7	105.5 Å²	105.5	3%	0.03	54%	0.541	C	S	.	.	B	Isolated β-bridge	trans	-116.6	119.6	173	-179.9	-175.1	-177.7	-65.3	0	109.2	D244 S259 D260 C261 P263 T277 T278 K281	K210-D244 IonicContact NZ-OD2 3.36Å; K210-D244 PolarHBondContact NZ-OD2 3.21Å; K210-S259 CarbonylContact C-O 3.6Å; K210-S259 PolarHBondContact N-O 3.45Å; K210-S259 CarbonylContact O-C 3.58Å; K210-S259 WeakPolarHBondContact O-CA 3.24Å; K210-S259 VanDerWaalsContact O-O 3.1Å; K210-D260 PolarHBondContact O-N 3.02Å; K210-C261 HydrophobicContact CB-CB 4.15Å; K210-C261 HydrophobicContact CD-CB 4.01Å; K210-C261 HydrophobicContact CG-CB 3.95Å; K210-C261 PolarHBondContact NZ-SG 3.36Å; K210-C261 VanDerWaalsContact NZ-SG 3.44Å; K210-C261 WeakPolarHBondContact O-CB 3.31Å; K210-C261 PolarHBondContact O-N 3.47Å; K210-P263 HydrophobicContact CD-CG 3.93Å; K210-T277 HydrophobicContact CB-CG2 4.05Å; K210-T277 HydrophobicContact CD-CG2 3.6Å; K210-T277 HydrophobicContact CG-CG2 3.63Å; K210-T278 WeakPolarHBondContact CE-OG1 3.25Å; K210-T278 PolarHBondContact NZ-OG1 3.48Å; K210-K281 HydrophobicContact CB-CD 4.24Å; K210-K281 HydrophobicContact CD-CD 4.03Å
211	I	87.1	Confident	70	Confident	132 Å²	132	100 Å²	100	68%	0.677	52%	0.524	S	S	*	.			trans	-67.5	143.1	174.3	-56.4	168.6	0	0	0	109.4	S259	I211-S259 WeakPolarHBondContact CG1-OG 3.14Å
212	H	88.8	Confident	72.5	Confident	19 Å²	19	97.6 Å²	97.6	9%	0.088	51%	0.51	C	S	.	.			trans	-76.7	135.5	176.7	-70.2	-95.4	0	0	0	111.5	F214 C242 C245 P258 D260 C261	H212-F214 HydrophobicContact CB-CD2 3.68Å; H212-F214 HydrophobicContact CB-CE1 4.38Å; H212-F214 HydrophobicContact CB-CE2 3.33Å; H212-F214 HydrophobicContact CB-CG 4.39Å; H212-F214 HydrophobicContact CB-CZ 3.71Å; H212-F214 AromaticContact CG-CE2 3.97Å; H212-F214 AromaticContact CG-CZ 3.99Å; H212-F214 PolarHBondContact O-N 2.88Å; H212-C242 HydrophobicContact CB-CB 4.35Å; H212-C245 PolarHBondContact ND1-SG 3.49Å; H212-P258 PolarHBondContact CD2-O 2.93Å; H212-P258 VanDerWaalsContact CD2-O 3.23Å; H212-P258 PolarHBondContact NE2-O 3.29Å; H212-D260 IonicContact CE1-OD1 3.14Å; H212-D260 IonicContact NE2-OD1 3.06Å; H212-D260 PolarHBondContact NE2-OD1 3.41Å; H212-C261 VanDerWaalsContact CE1-CA 3.47Å; H212-C261 WeakPolarHBondContact CE1-CA 3.37Å; H212-C261 PolarHBondContact ND1-SG 3.45Å; H212-C261 PolarHBondContact NE2-N 3.45Å
213	N	89.8	Confident	74.9	Confident	71 Å²	71	94.8 Å²	94.8	38%	0.38	49%	0.487	S	S	.	.			trans	-89.4	73.2	176.3	-173.6	3.9	0	0	0	111.6	C242 S243 D244	N213-C242 PolarHBondContact N-SG 3.3Å; N213-C242 VanDerWaalsContact N-SG 3.45Å; N213-C242 WeakPolarHBondContact O-CA 3.03Å; N213-S243 PolarHBondContact O-N 2.98Å; N213-S243 PolarHBondContact O-OG 2.97Å; N213-D244 WeakPolarHBondContact CB-OD2 3.24Å
214	F	94.2	Very high	77.2	Confident	44 Å²	44	89 Å²	89	19%	0.193	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	129.8	-177.8	-73.4	-64.7	0	0	0	113	H212 V240 C242 L247 V249 V257	H212-F214 HydrophobicContact CB-CD2 3.68Å; H212-F214 HydrophobicContact CB-CE1 4.38Å; H212-F214 HydrophobicContact CB-CE2 3.33Å; H212-F214 HydrophobicContact CB-CG 4.39Å; H212-F214 HydrophobicContact CB-CZ 3.71Å; H212-F214 AromaticContact CG-CE2 3.97Å; H212-F214 AromaticContact CG-CZ 3.99Å; H212-F214 PolarHBondContact O-N 2.88Å; F214-V240 HydrophobicContact CB-CB 4.03Å; F214-V240 HydrophobicContact CB-CG2 3.92Å; F214-V240 HydrophobicContact CD1-CB 4.17Å; F214-V240 HydrophobicContact CD1-CG2 3.56Å; F214-V240 HydrophobicContact CE1-CG2 4.26Å; F214-V240 HydrophobicContact CG-CB 4.42Å; F214-V240 HydrophobicContact CG-CG2 3.84Å; F214-C242 HydrophobicContact CD1-CB 3.93Å; F214-C242 HydrophobicContact CE1-CB 3.83Å; F214-L247 HydrophobicContact CE1-CB 4.46Å; F214-L247 HydrophobicContact CE1-CD2 4.28Å; F214-L247 HydrophobicContact CE1-CG 4.33Å; F214-L247 HydrophobicContact CZ-CD2 3.87Å; F214-L247 HydrophobicContact CZ-CG 4.4Å; F214-V249 HydrophobicContact CD1-CG2 4.14Å; F214-V249 HydrophobicContact CE1-CG2 3.51Å; F214-V249 HydrophobicContact CE2-CG2 4.46Å; F214-V249 HydrophobicContact CZ-CG2 3.69Å; F214-V257 HydrophobicContact CE2-CB 4.26Å; F214-V257 HydrophobicContact CE2-CG1 4.49Å; F214-V257 HydrophobicContact CE2-CG2 4.47Å; F214-V257 HydrophobicContact CZ-CB 4.31Å; F214-V257 HydrophobicContact CZ-CG1 4.3Å; F214-V257 HydrophobicContact CZ-CG2 4.18Å
215	K	93.6	Very high	79.8	Confident	120 Å²	120	79.4 Å²	79.4	52%	0.522	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	143.4	171.8	-63	-173.7	-176.8	176.2	0	110.5	H217 V240 R241 S243	K215-H217 PolarHBondContact O-N 3.19Å; K215-V240 CarbonylContact O-C 3.59Å; K215-V240 WeakPolarHBondContact O-CA 3.35Å; K215-V240 WeakPolarHBondContact O-CB 3.42Å; K215-R241 PolarHBondContact N-O 2.87Å; K215-R241 PolarHBondContact O-N 3.34Å; K215-S243 VanDerWaalsContact CD-OG 3.32Å; K215-S243 WeakPolarHBondContact CD-OG 3.31Å; K215-S243 WeakPolarHBondContact CE-OG 3.44Å
216	V	95	Very high	81.9	Confident	97 Å²	97	74.6 Å²	74.6	59%	0.588	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.3	131.4	174.2	177.4	0	0	0	0	109.2	A237 V240	V216-A237 HydrophobicContact CG1-CB 3.5Å; V216-V240 HydrophobicContact CG2-CG1 4.37Å
217	H	93.7	Very high	84.3	Confident	52 Å²	52	71.1 Å²	71.1	24%	0.241	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	136.1	-172.5	-173	-86	0	0	0	111.2	K215 F219 G239 R241	K215-H217 PolarHBondContact O-N 3.19Å; H217-F219 HydrophobicContact CB-CE2 4.2Å; H217-F219 HydrophobicContact CB-CZ 4.16Å; H217-F219 AromaticContact CE1-CD1 3.87Å; H217-F219 AromaticContact ND1-CD1 3.43Å; H217-F219 WeakPolarHBondContact ND1-CD1 3.35Å; H217-F219 AromaticContact ND1-CD2 3.87Å; H217-F219 AromaticContact ND1-CE1 3.43Å; H217-F219 WeakPolarHBondContact ND1-CE1 3.46Å; H217-F219 AromaticContact ND1-CE2 3.87Å; H217-F219 AromaticContact ND1-CG 3.67Å; H217-F219 AromaticContact ND1-CZ 3.66Å; H217-G239 PolarHBondContact N-O 3.29Å; H217-R241 HydrophobicContact CB-CB 3.8Å; H217-R241 VanDerWaalsContact CE1-CZ 3.41Å; H217-R241 PolarHBondContact CE1-NH1 3.46Å; H217-R241 VanDerWaalsContact CE1-NH1 3.29Å; H217-R241 PolarHBondContact NE2-NH1 3.2Å
218	T	92.2	Very high	86	Confident	68 Å²	68	66 Å²	66	42%	0.417	33%	0.326	S	S	.	.			trans	-95.5	114.7	170.6	-64.8	0	0	0	0	109.4	I236 A237	T218-I236 HydrophobicContact CG2-CB 4.17Å; T218-I236 HydrophobicContact CG2-CG2 4.09Å; T218-A237 PolarHBondContact OG1-N 3.24Å
219	F	86.7	Confident	87.4	Confident	8 Å²	8	63.1 Å²	63.1	4%	0.035	32%	0.315	C	S	.	.			trans	-84.9	129.5	-179	-64.6	-83.1	0	0	0	111	H217 G221 H223 M232 Q238 N248	H217-F219 HydrophobicContact CB-CE2 4.2Å; H217-F219 HydrophobicContact CB-CZ 4.16Å; H217-F219 AromaticContact CE1-CD1 3.87Å; H217-F219 AromaticContact ND1-CD1 3.43Å; H217-F219 WeakPolarHBondContact ND1-CD1 3.35Å; H217-F219 AromaticContact ND1-CD2 3.87Å; H217-F219 AromaticContact ND1-CE1 3.43Å; H217-F219 WeakPolarHBondContact ND1-CE1 3.46Å; H217-F219 AromaticContact ND1-CE2 3.87Å; H217-F219 AromaticContact ND1-CG 3.67Å; H217-F219 AromaticContact ND1-CZ 3.66Å; F219-G221 PolarHBondContact O-N 2.84Å; F219-H223 HydrophobicContact CB-CB 4.05Å; F219-H223 HydrophobicContact CD1-CB 4.05Å; F219-H223 AromaticContact CD1-CD2 3.37Å; F219-H223 WeakPolarHBondContact CD1-CD2 3.5Å; F219-H223 AromaticContact CD1-CG 3.63Å; F219-H223 AromaticContact CD1-NE2 3.79Å; F219-H223 HydrophobicContact CG-CB 4.01Å; F219-H223 AromaticContact CG-CG 3.85Å; F219-M232 HydrophobicContact CD1-CE 4.38Å; F219-M232 HydrophobicContact CD2-CE 4.02Å; F219-M232 HydrophobicContact CE1-CE 4.06Å; F219-M232 HydrophobicContact CE2-CE 3.68Å; F219-M232 HydrophobicContact CE2-SD 3.9Å; F219-M232 HydrophobicContact CG-CE 4.35Å; F219-M232 HydrophobicContact CZ-CE 3.71Å; F219-M232 HydrophobicContact CZ-SD 4.21Å; F219-Q238 HydrophobicContact CD2-CB 4.18Å; F219-N248 HydrophobicContact CE1-CB 3.79Å; F219-N248 VanDerWaalsContact CE1-OD1 3.29Å; F219-N248 WeakPolarHBondContact CE1-OD1 3.49Å; F219-N248 HydrophobicContact CZ-CB 3.81Å
220	R	83.1	Confident	88	Confident	238 Å²	238	56.3 Å²	56.3	90%	0.898	28%	0.283	S	S	*	.	S	Bend	trans	-84.9	103.9	175.8	-67.1	-171.8	178.9	-167.3	-0.7	109.1	H223	R220-H223 PolarHBondContact O-CE1 2.88Å; R220-H223 VanDerWaalsContact O-CE1 3.27Å
221	G	80	Confident	88.4	Confident	51 Å²	51	56.1 Å²	56.1	53%	0.526	28%	0.282	S	S	.	.	S	Bend	trans	91.4	176.7	-175.4	0	0	0	0	0	113.2	F219 H223	F219-G221 PolarHBondContact O-N 2.84Å; G221-H223 PolarHBondContact O-N 3.1Å; G221-H223 PolarHBondContact O-ND1 3.36Å
222	P	79.9	Confident	88.6	Confident	74 Å²	74	50 Å²	50	48%	0.481	25%	0.251	S	S	.	.			trans	-69.8	129.2	-173.9	29.2	-34.7	0	0	0	111.4	Y31 W224 F231	Y31-P222 HydrophobicContact CD2-CB 4.45Å; Y31-P222 HydrophobicContact CE2-CB 4.15Å; P222-W224 HydrophobicContact CB-CH2 3.83Å; P222-W224 HydrophobicContact CB-CZ3 3.77Å; P222-W224 HydrophobicContact CG-CH2 4.44Å; P222-W224 HydrophobicContact CG-CZ3 4.31Å; P222-W224 WeakPolarHBondContact O-CZ3 3.41Å; P222-F231 HydrophobicContact CB-CE2 3.68Å; P222-F231 HydrophobicContact CB-CZ 4.47Å
223	H	84.3	Confident	88.9	Confident	56 Å²	56	50.9 Å²	50.9	26%	0.259	25%	0.253	S	S	.	.			trans	-133.4	151	-179.3	-74.1	65.7	0	0	0	110.9	F219 R220 G221 F231 M232	F219-H223 HydrophobicContact CB-CB 4.05Å; F219-H223 HydrophobicContact CD1-CB 4.05Å; F219-H223 AromaticContact CD1-CD2 3.37Å; F219-H223 WeakPolarHBondContact CD1-CD2 3.5Å; F219-H223 AromaticContact CD1-CG 3.63Å; F219-H223 AromaticContact CD1-NE2 3.79Å; F219-H223 HydrophobicContact CG-CB 4.01Å; F219-H223 AromaticContact CG-CG 3.85Å; R220-H223 PolarHBondContact O-CE1 2.88Å; R220-H223 VanDerWaalsContact O-CE1 3.27Å; G221-H223 PolarHBondContact O-N 3.1Å; G221-H223 PolarHBondContact O-ND1 3.36Å; H223-F231 VanDerWaalsContact O-CD2 3.27Å; H223-F231 WeakPolarHBondContact O-CD2 3.23Å; H223-M232 HydrophobicContact CB-CE 3.53Å; H223-M232 PolarHBondContact O-N 3.44Å
224	W	86.9	Confident	89	Confident	65 Å²	65	47.8 Å²	47.8	25%	0.246	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-116.4	149.7	179.8	-75	-105.5	0	0	0	110.9	W26 K27 Y31 P222 F231 M232	W26-W224 HydrophobicContact CB-CG 4.23Å; W26-W224 HydrophobicContact CD2-CB 4.08Å; W26-W224 HydrophobicContact CD2-CG 4.38Å; W26-W224 HydrophobicContact CE3-CB 3.43Å; W26-W224 VanDerWaalsContact CE3-CB 3.43Å; W26-W224 HydrophobicContact CE3-CG 4.02Å; W26-W224 HydrophobicContact CG-CG 4.49Å; W26-W224 HydrophobicContact CZ3-CB 3.82Å; K27-W224 PolarHBondContact O-NE1 2.98Å; Y31-W224 HydrophobicContact CG-CZ2 4.37Å; P222-W224 HydrophobicContact CB-CH2 3.83Å; P222-W224 HydrophobicContact CB-CZ3 3.77Å; P222-W224 HydrophobicContact CG-CH2 4.44Å; P222-W224 HydrophobicContact CG-CZ3 4.31Å; P222-W224 WeakPolarHBondContact O-CZ3 3.41Å; W224-F231 HydrophobicContact CD2-CD2 4.19Å; W224-F231 AromaticContact CE2-CD2 3.89Å; W224-F231 HydrophobicContact CE3-CD2 4.48Å; W224-F231 HydrophobicContact CH2-CD2 4.21Å; W224-F231 AromaticContact CZ2-CD2 3.91Å; W224-F231 HydrophobicContact CZ2-CD2 3.91Å; W224-F231 HydrophobicContact CZ3-CD2 4.49Å; W224-M232 WeakPolarHBondContact O-CE 3.31Å
225	C	88.9	Confident	88.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.244	C	C	.	.			trans	-76.8	122.3	177.9	173.5	0	0	0	0	110.2	Y227 C228 A229 N230 M232 V249 H250	C225-Y227 PolarHBondContact O-N 3.34Å; C225-Y227 VanDerWaalsContact O-N 3.15Å; C225-C228 PolarHBondContact SG-SG 2.93Å; C225-A229 VanDerWaalsContact O-CA 3.22Å; C225-A229 WeakPolarHBondContact O-CA 3.03Å; C225-A229 PolarHBondContact O-N 3.5Å; C225-N230 WeakPolarHBondContact CB-O 3.41Å; C225-N230 PolarHBondContact N-O 3.03Å; C225-M232 HydrophobicContact CB-CG 4.07Å; C225-M232 HydrophobicContact CB-SD 4.36Å; C225-V249 VanDerWaalsContact SG-CA 3.54Å; C225-H250 WeakPolarHBondContact CB-CE1 2.82Å; C225-H250 WeakPolarHBondContact CB-ND1 3.44Å; C225-H250 PolarHBondContact SG-N 3.47Å; C225-H250 VanDerWaalsContact SG-N 3.38Å; C225-H250 PolarHBondContact SG-ND1 3.45Å
226	E	86.7	Confident	88.8	Confident	58 Å²	58	44.6 Å²	44.6	27%	0.271	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-6	-179	-65.6	172	-118	0	0	112.8	W26 L247 N248	W26-E226 HydrophobicContact CH2-CG 4.29Å; E226-L247 HydrophobicContact CB-CD1 3.53Å; E226-L247 HydrophobicContact CG-CD1 4.28Å; E226-L247 WeakPolarHBondContact OE2-CD1 3.46Å; E226-N248 WeakPolarHBondContact CB-O 3.32Å; E226-N248 PolarHBondContact N-O 2.86Å; E226-N248 WeakPolarHBondContact OE1-CA 3.34Å; E226-N248 VanDerWaalsContact OE1-CB 3.22Å; E226-N248 WeakPolarHBondContact OE1-CB 3.41Å; E226-N248 PolarHBondContact OE1-N 3.37Å; E226-N248 PolarHBondContact OE1-ND2 3.11Å
227	Y	88.8	Confident	88.7	Confident	22 Å²	22	41.2 Å²	41.2	9%	0.086	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-51.2	175.5	178.9	-91.6	0	0	0	113.6	T148 P151 I152 Y153 C225 C253 L256 V257	T148-Y227 HydrophobicContact CG2-CE1 4.1Å; P151-Y227 WeakPolarHBondContact CA-O 3.3Å; P151-Y227 HydrophobicContact CB-CD1 4.08Å; P151-Y227 HydrophobicContact CB-CD2 4.29Å; P151-Y227 HydrophobicContact CB-CE1 3.61Å; P151-Y227 HydrophobicContact CB-CE2 3.85Å; P151-Y227 HydrophobicContact CB-CG 4.39Å; P151-Y227 VanDerWaalsContact CB-CZ 3.47Å; P151-Y227 WeakPolarHBondContact CB-O 3.49Å; P151-Y227 HydrophobicContact CG-CE1 4.43Å; P151-Y227 HydrophobicContact CG-CE2 4.38Å; I152-Y227 WeakPolarHBondContact CG1-O 3.29Å; I152-Y227 PolarHBondContact N-O 3.24Å; Y153-Y227 HydrophobicContact CD2-CD2 4.23Å; Y153-Y227 AromaticContact CG-CD2 3.87Å; Y153-Y227 HydrophobicContact CG-CD2 3.87Å; Y153-Y227 HydrophobicContact CG-CE2 4.5Å; Y153-Y227 PolarHBondContact N-O 2.85Å; C225-Y227 PolarHBondContact O-N 3.34Å; C225-Y227 VanDerWaalsContact O-N 3.15Å; Y227-C253 HydrophobicContact CD1-CB 3.67Å; Y227-C253 HydrophobicContact CE1-CB 4.47Å; Y227-C253 HydrophobicContact CG-CB 4Å; Y227-L256 HydrophobicContact CE1-CB 4.21Å; Y227-L256 HydrophobicContact CE1-CD1 4.21Å; Y227-L256 HydrophobicContact CE2-CB 4.19Å; Y227-V257 HydrophobicContact CD2-CG2 3.79Å; Y227-V257 HydrophobicContact CG-CG2 4.27Å
228	C	89.9	Confident	88.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-4.3	-174.4	65.6	0	0	0	0	114.6	K27 M147 C225 N230 H250	K27-C228 PolarHBondContact NZ-O 3.27Å; K27-C228 VanDerWaalsContact NZ-O 3.09Å; M147-C228 HydrophobicContact CG-CB 4.46Å; M147-C228 WeakPolarHBondContact O-CB 3.28Å; C225-C228 PolarHBondContact SG-SG 2.93Å; C228-N230 PolarHBondContact O-N 3Å; C228-N230 PolarHBondContact O-ND2 2.96Å; C228-H250 PolarHBondContact SG-CE1 3.02Å; C228-H250 PolarHBondContact SG-ND1 2.94Å
229	A	85.9	Confident	88.9	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.			trans	67.1	6.5	-177.6	0	0	0	0	0	115.6	I25 W26 K27 I152 C225	I25-A229 WeakPolarHBondContact O-CB 3.44Å; W26-A229 HydrophobicContact CE3-CB 4.1Å; W26-A229 HydrophobicContact CZ3-CB 4.41Å; K27-A229 HydrophobicContact CD-CB 4.35Å; K27-A229 HydrophobicContact CG-CB 4.41Å; K27-A229 PolarHBondContact N-O 3.35Å; I152-A229 HydrophobicContact CB-CB 4.4Å; I152-A229 VanDerWaalsContact CD1-CA 3.44Å; I152-A229 HydrophobicContact CD1-CB 3.13Å; I152-A229 HydrophobicContact CG1-CB 3.71Å; I152-A229 HydrophobicContact CG2-CB 3.9Å; C225-A229 VanDerWaalsContact O-CA 3.22Å; C225-A229 WeakPolarHBondContact O-CA 3.03Å; C225-A229 PolarHBondContact O-N 3.5Å
230	N	90	Very high	89.3	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-88.3	150.6	179.9	-77.8	-69.4	0	0	0	111.8	K27 L30 Y143 C225 C228 H250	K27-N230 WeakPolarHBondContact CB-OD1 3.17Å; L30-N230 HydrophobicContact CD1-CB 4.06Å; Y143-N230 VanDerWaalsContact CE1-OD1 3.32Å; Y143-N230 WeakPolarHBondContact CE1-OD1 3.5Å; Y143-N230 PolarHBondContact OH-OD1 3.43Å; C225-N230 WeakPolarHBondContact CB-O 3.41Å; C225-N230 PolarHBondContact N-O 3.03Å; C228-N230 PolarHBondContact O-N 3Å; C228-N230 PolarHBondContact O-ND2 2.96Å; N230-H250 PolarHBondContact O-CE1 3.32Å
231	F	90.4	Very high	89.8	Confident	4 Å²	4	28.5 Å²	28.5	2%	0.018	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-59.6	140.1	175.7	176.7	-110.7	0	0	0	111.9	L30 Y31 Q34 P222 H223 W224 W233 H250	L30-F231 HydrophobicContact CB-CB 4.15Å; L30-F231 HydrophobicContact CB-CD1 4.4Å; Y31-F231 VanDerWaalsContact CA-CD1 3.45Å; Y31-F231 HydrophobicContact CD2-CD1 4.41Å; Y31-F231 HydrophobicContact CD2-CD2 4.05Å; Y31-F231 HydrophobicContact CD2-CE1 4.07Å; Y31-F231 AromaticContact CD2-CE2 3.71Å; Y31-F231 HydrophobicContact CD2-CE2 3.71Å; Y31-F231 HydrophobicContact CD2-CG 4.39Å; Y31-F231 AromaticContact CD2-CZ 3.73Å; Y31-F231 HydrophobicContact CD2-CZ 3.73Å; Y31-F231 HydrophobicContact CG-CD2 4.46Å; Q34-F231 HydrophobicContact CB-CE1 4.17Å; P222-F231 HydrophobicContact CB-CE2 3.68Å; P222-F231 HydrophobicContact CB-CZ 4.47Å; H223-F231 VanDerWaalsContact O-CD2 3.27Å; H223-F231 WeakPolarHBondContact O-CD2 3.23Å; W224-F231 HydrophobicContact CD2-CD2 4.19Å; W224-F231 AromaticContact CE2-CD2 3.89Å; W224-F231 HydrophobicContact CE3-CD2 4.48Å; W224-F231 HydrophobicContact CH2-CD2 4.21Å; W224-F231 AromaticContact CZ2-CD2 3.91Å; W224-F231 HydrophobicContact CZ2-CD2 3.91Å; W224-F231 HydrophobicContact CZ3-CD2 4.49Å; F231-W233 HydrophobicContact CD1-CB 4.04Å; F231-W233 HydrophobicContact CE1-CB 3.92Å; F231-H250 PolarHBondContact O-NE2 3.01Å
232	M	91.9	Very high	90.3	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.02	13%	0.13	C	C	.	.			trans	-93.6	101.1	174.4	-67.2	-175.7	-67.3	0	0	109.1	F219 H223 W224 C225 Q238 N248	F219-M232 HydrophobicContact CD1-CE 4.38Å; F219-M232 HydrophobicContact CD2-CE 4.02Å; F219-M232 HydrophobicContact CE1-CE 4.06Å; F219-M232 HydrophobicContact CE2-CE 3.68Å; F219-M232 HydrophobicContact CE2-SD 3.9Å; F219-M232 HydrophobicContact CG-CE 4.35Å; F219-M232 HydrophobicContact CZ-CE 3.71Å; F219-M232 HydrophobicContact CZ-SD 4.21Å; H223-M232 HydrophobicContact CB-CE 3.53Å; H223-M232 PolarHBondContact O-N 3.44Å; W224-M232 WeakPolarHBondContact O-CE 3.31Å; C225-M232 HydrophobicContact CB-CG 4.07Å; C225-M232 HydrophobicContact CB-SD 4.36Å; M232-Q238 HydrophobicContact CB-CB 3.91Å; M232-N248 HydrophobicContact CE-CB 4.2Å
233	W	94.8	Very high	90.6	Very high	37 Å²	37	24.8 Å²	24.8	14%	0.14	12%	0.123	C	C	.	.			trans	-84.5	165	-172.9	70.7	93.6	0	0	0	113.5	L30 Q34 I132 I136 I144 M147 F231 Q238 H250	L30-W233 HydrophobicContact CD1-CE3 3.76Å; L30-W233 HydrophobicContact CD1-CZ3 3.63Å; Q34-W233 VanDerWaalsContact OE1-CA 3.3Å; I132-W233 HydrophobicContact CG2-CB 4.49Å; I136-W233 HydrophobicContact CD1-CB 3.4Å; I136-W233 VanDerWaalsContact CD1-CB 3.4Å; I136-W233 HydrophobicContact CD1-CD2 4.3Å; I136-W233 HydrophobicContact CD1-CG 3.49Å; I136-W233 VanDerWaalsContact CD1-CG 3.49Å; I136-W233 HydrophobicContact CG2-CD2 4.1Å; I136-W233 HydrophobicContact CG2-CG 4.32Å; I136-W233 HydrophobicContact CG2-CZ2 4.48Å; I144-W233 HydrophobicContact CD1-CH2 4.2Å; I144-W233 HydrophobicContact CD1-CZ2 4.38Å; I144-W233 HydrophobicContact CG1-CH2 4.38Å; I144-W233 HydrophobicContact CG2-CH2 4.18Å; M147-W233 HydrophobicContact CE-CH2 4.3Å; M147-W233 HydrophobicContact CE-CZ3 4.4Å; F231-W233 HydrophobicContact CD1-CB 4.04Å; F231-W233 HydrophobicContact CE1-CB 3.92Å; W233-Q238 VanDerWaalsContact O-CB 3.3Å; W233-Q238 WeakPolarHBondContact O-CB 3.28Å; W233-Q238 VanDerWaalsContact O-CG 3.29Å; W233-Q238 WeakPolarHBondContact O-CG 3.5Å; W233-H250 AromaticContact CZ3-CD2 3.99Å; W233-H250 AromaticContact CZ3-NE2 3.77Å
234	G	93.1	Very high	90.6	Very high	5 Å²	5	23 Å²	23	5%	0.052	12%	0.116	C	C	.	.	S	Bend	trans	103.8	168.2	-179.6	0	0	0	0	0	113.6	D129 Q238	D129-G234 VanDerWaalsContact OD1-CA 3.32Å; D129-G234 WeakPolarHBondContact OD1-CA 3.42Å; G234-Q238 WeakPolarHBondContact O-CG 3.42Å; G234-Q238 PolarHBondContact O-NE2 2.89Å
235	L	91.1	Very high	90.4	Very high	64 Å²	64	21.2 Å²	21.2	34%	0.335	11%	0.113	S	C	.	.	S	Bend	trans	-89.2	-37.3	-174.8	-160.6	150	0	0	0	111.9	D125 T128 D129 Q238	D125-L235 HydrophobicContact CB-CD1 4.46Å; D125-L235 HydrophobicContact CB-CD2 4.37Å; T128-L235 HydrophobicContact CG2-CD1 3.75Å; D129-L235 HydrophobicContact CB-CB 4.13Å; D129-L235 PolarHBondContact OD1-N 2.9Å; L235-Q238 PolarHBondContact O-NE2 3.46Å
236	I	92.6	Very high	90.1	Very high	33 Å²	33	21.5 Å²	21.5	17%	0.169	12%	0.115	C	C	.	.	S	Bend	trans	-136.4	158	173.7	66.4	177.7	0	0	0	111.1	K118 R119 F120 T218 Q238	K118-I236 HydrophobicContact CB-CD1 4.26Å; K118-I236 HydrophobicContact CB-CG1 4.42Å; K118-I236 HydrophobicContact CD-CG1 4.18Å; K118-I236 WeakPolarHBondContact CE-O 3.31Å; K118-I236 PolarHBondContact NZ-O 2.69Å; K118-I236 VanDerWaalsContact NZ-O 3.11Å; R119-I236 WeakPolarHBondContact O-CD1 3.31Å; F120-I236 HydrophobicContact CD1-CD1 3.57Å; F120-I236 HydrophobicContact CD1-CG1 4.11Å; F120-I236 HydrophobicContact CD2-CD1 4.44Å; F120-I236 HydrophobicContact CE1-CD1 3.48Å; F120-I236 VanDerWaalsContact CE1-CD1 3.48Å; F120-I236 HydrophobicContact CE1-CG1 3.55Å; F120-I236 HydrophobicContact CE2-CD1 4.36Å; F120-I236 HydrophobicContact CG-CD1 4.07Å; F120-I236 HydrophobicContact CZ-CD1 3.91Å; F120-I236 HydrophobicContact CZ-CG1 3.98Å; T218-I236 HydrophobicContact CG2-CB 4.17Å; T218-I236 HydrophobicContact CG2-CG2 4.09Å; I236-Q238 VanDerWaalsContact C-N 3.26Å; I236-Q238 PolarHBondContact O-N 3.19Å
237	A	91.8	Very high	90.2	Very high	27 Å²	27	19 Å²	19	22%	0.223	10%	0.104	C	C	.	.			trans	50.5	46.2	176.3	0	0	0	0	0	112.6	K118 V216 T218 G239	K118-A237 HydrophobicContact CD-CB 4.45Å; K118-A237 HydrophobicContact CG-CB 4.24Å; V216-A237 HydrophobicContact CG1-CB 3.5Å; T218-A237 PolarHBondContact OG1-N 3.24Å; A237-G239 PolarHBondContact O-N 3.45Å
238	Q	94	Very high	90.3	Very high	24 Å²	24	18.9 Å²	18.9	11%	0.112	11%	0.105	C	C	.	.			trans	-68.6	-21	-175.5	-55.5	85.2	-4.2	0	0	112.9	F219 M232 W233 G234 L235 I236	F219-Q238 HydrophobicContact CD2-CB 4.18Å; M232-Q238 HydrophobicContact CB-CB 3.91Å; W233-Q238 VanDerWaalsContact O-CB 3.3Å; W233-Q238 WeakPolarHBondContact O-CB 3.28Å; W233-Q238 VanDerWaalsContact O-CG 3.29Å; W233-Q238 WeakPolarHBondContact O-CG 3.5Å; G234-Q238 WeakPolarHBondContact O-CG 3.42Å; G234-Q238 PolarHBondContact O-NE2 2.89Å; L235-Q238 PolarHBondContact O-NE2 3.46Å; I236-Q238 VanDerWaalsContact C-N 3.26Å; I236-Q238 PolarHBondContact O-N 3.19Å
239	G	95.3	Very high	90.5	Very high	4 Å²	4	18.9 Å²	18.9	4%	0.041	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	-157.7	-178.9	0	0	0	0	0	111.8	H217 A237 V249	H217-G239 PolarHBondContact N-O 3.29Å; A237-G239 PolarHBondContact O-N 3.45Å; G239-V249 WeakPolarHBondContact CA-O 3.41Å
240	V	96.2	Very high	91	Very high	8 Å²	8	19.2 Å²	19.2	5%	0.048	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	149.8	178.8	-61.8	0	0	0	0	110.6	F214 K215 V216 N248 V249 K251	F214-V240 HydrophobicContact CB-CB 4.03Å; F214-V240 HydrophobicContact CB-CG2 3.92Å; F214-V240 HydrophobicContact CD1-CB 4.17Å; F214-V240 HydrophobicContact CD1-CG2 3.56Å; F214-V240 HydrophobicContact CE1-CG2 4.26Å; F214-V240 HydrophobicContact CG-CB 4.42Å; F214-V240 HydrophobicContact CG-CG2 3.84Å; K215-V240 CarbonylContact O-C 3.59Å; K215-V240 WeakPolarHBondContact O-CA 3.35Å; K215-V240 WeakPolarHBondContact O-CB 3.42Å; V216-V240 HydrophobicContact CG2-CG1 4.37Å; V240-N248 WeakPolarHBondContact O-CA 3.47Å; V240-V249 HydrophobicContact CG2-CG2 3.66Å; V240-V249 WeakPolarHBondContact CG2-O 3.35Å; V240-V249 PolarHBondContact N-O 2.82Å; V240-V249 PolarHBondContact O-N 3.21Å; V240-K251 HydrophobicContact CG1-CB 4.45Å
241	R	93.3	Very high	91.2	Very high	63 Å²	63	24.2 Å²	24.2	24%	0.238	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.4	174.3	174.5	176.3	-72	175.6	-6.2	109.1	K215 H217 S243 L247 N248	K215-R241 PolarHBondContact N-O 2.87Å; K215-R241 PolarHBondContact O-N 3.34Å; H217-R241 HydrophobicContact CB-CB 3.8Å; H217-R241 VanDerWaalsContact CE1-CZ 3.41Å; H217-R241 PolarHBondContact CE1-NH1 3.46Å; H217-R241 VanDerWaalsContact CE1-NH1 3.29Å; H217-R241 PolarHBondContact NE2-NH1 3.2Å; R241-S243 PolarHBondContact O-N 3.45Å; R241-L247 CarbonylContact C-O 3.53Å; R241-L247 WeakPolarHBondContact CA-O 3.49Å; R241-N248 WeakPolarHBondContact CB-OD1 3.41Å; R241-N248 VanDerWaalsContact CG-OD1 3.3Å; R241-N248 WeakPolarHBondContact CG-OD1 3.18Å; R241-N248 PolarHBondContact NE-OD1 3.02Å; R241-N248 PolarHBondContact NH2-OD1 2.98Å
242	C	90.5	Very high	91.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	126	171.4	-178.1	0	0	0	0	109.2	H212 N213 F214 D244 C245 G246 L247	H212-C242 HydrophobicContact CB-CB 4.35Å; N213-C242 PolarHBondContact N-SG 3.3Å; N213-C242 VanDerWaalsContact N-SG 3.45Å; N213-C242 WeakPolarHBondContact O-CA 3.03Å; F214-C242 HydrophobicContact CD1-CB 3.93Å; F214-C242 HydrophobicContact CE1-CB 3.83Å; C242-D244 PolarHBondContact O-N 3.45Å; C242-C245 VanDerWaalsContact CB-SG 3.51Å; C242-C245 PolarHBondContact SG-SG 3.34Å; C242-G246 WeakPolarHBondContact O-CA 3.28Å; C242-G246 PolarHBondContact O-N 3.49Å; C242-L247 HydrophobicContact CB-CB 4.11Å; C242-L247 PolarHBondContact N-O 3.47Å
243	S	87.2	Confident	91.5	Very high	46 Å²	46	27.2 Å²	27.2	32%	0.322	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-25.5	-179.7	-56.8	0	0	0	0	112.2	N213 K215 R241	N213-S243 PolarHBondContact O-N 2.98Å; N213-S243 PolarHBondContact O-OG 2.97Å; K215-S243 VanDerWaalsContact CD-OG 3.32Å; K215-S243 WeakPolarHBondContact CD-OG 3.31Å; K215-S243 WeakPolarHBondContact CE-OG 3.44Å; R241-S243 PolarHBondContact O-N 3.45Å
244	D	82.7	Confident	91.5	Very high	20 Å²	20	26.7 Å²	26.7	11%	0.107	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-50	-170.8	-48.5	-27.8	0	0	0	111.5	K210 N213 C242 P263 D264 T278	K210-D244 IonicContact NZ-OD2 3.36Å; K210-D244 PolarHBondContact NZ-OD2 3.21Å; N213-D244 WeakPolarHBondContact CB-OD2 3.24Å; C242-D244 PolarHBondContact O-N 3.45Å; D244-P263 HydrophobicContact CB-CB 4.14Å; D244-P263 HydrophobicContact CB-CG 4.24Å; D244-P263 WeakPolarHBondContact O-CA 3.35Å; D244-D264 PolarHBondContact O-N 2.89Å; D244-T278 HydrophobicContact CB-CG2 4.01Å
245	C	82.7	Confident	91.6	Very high	27 Å²	27	34.7 Å²	34.7	18%	0.182	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-17.5	-178.8	68.5	0	0	0	0	114	H212 C242 L247 Q262	H212-C245 PolarHBondContact ND1-SG 3.49Å; C242-C245 VanDerWaalsContact CB-SG 3.51Å; C242-C245 PolarHBondContact SG-SG 3.34Å; C245-L247 WeakPolarHBondContact SG-CB 3.3Å; C245-L247 PolarHBondContact SG-N 3.45Å; C245-Q262 WeakPolarHBondContact CB-O 3.48Å
246	G	83.9	Confident	91.6	Very high	5 Å²	5	35.6 Å²	35.6	5%	0.052	18%	0.182	C	C	.	.			trans	84.2	4.4	-177.8	0	0	0	0	0	116	C242 N248	C242-G246 WeakPolarHBondContact O-CA 3.28Å; C242-G246 PolarHBondContact O-N 3.49Å; G246-N248 VanDerWaalsContact O-CG 3.29Å; G246-N248 PolarHBondContact O-N 2.7Å; G246-N248 PolarHBondContact O-ND2 3.16Å; G246-N248 PolarHBondContact O-OD1 2.93Å
247	L	88.7	Confident	91.5	Very high	7 Å²	7	34.8 Å²	34.8	4%	0.037	18%	0.178	C	C	.	.			trans	-55.7	128.9	176.4	178.6	65.7	0	0	0	111.1	Y153 F214 E226 R241 C242 C245 V249 V257	Y153-L247 HydrophobicContact CE2-CD1 4.02Å; Y153-L247 HydrophobicContact CE2-CD2 3.73Å; F214-L247 HydrophobicContact CE1-CB 4.46Å; F214-L247 HydrophobicContact CE1-CD2 4.28Å; F214-L247 HydrophobicContact CE1-CG 4.33Å; F214-L247 HydrophobicContact CZ-CD2 3.87Å; F214-L247 HydrophobicContact CZ-CG 4.4Å; E226-L247 HydrophobicContact CB-CD1 3.53Å; E226-L247 HydrophobicContact CG-CD1 4.28Å; E226-L247 WeakPolarHBondContact OE2-CD1 3.46Å; R241-L247 CarbonylContact C-O 3.53Å; R241-L247 WeakPolarHBondContact CA-O 3.49Å; C242-L247 HydrophobicContact CB-CB 4.11Å; C242-L247 PolarHBondContact N-O 3.47Å; C245-L247 WeakPolarHBondContact SG-CB 3.3Å; C245-L247 PolarHBondContact SG-N 3.45Å; L247-V249 HydrophobicContact CD1-CG1 4.29Å; L247-V249 HydrophobicContact CD2-CG1 4.41Å; L247-V249 HydrophobicContact CG-CG1 4.06Å; L247-V257 HydrophobicContact CD2-CG1 3.77Å; L247-V257 HydrophobicContact CD2-CG2 4.42Å
248	N	89.9	Confident	91.5	Very high	19 Å²	19	36.2 Å²	36.2	10%	0.102	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.1	-177.6	-51	-70.6	0	0	0	111	F219 E226 M232 V240 R241 G246	F219-N248 HydrophobicContact CE1-CB 3.79Å; F219-N248 VanDerWaalsContact CE1-OD1 3.29Å; F219-N248 WeakPolarHBondContact CE1-OD1 3.49Å; F219-N248 HydrophobicContact CZ-CB 3.81Å; E226-N248 WeakPolarHBondContact CB-O 3.32Å; E226-N248 PolarHBondContact N-O 2.86Å; E226-N248 WeakPolarHBondContact OE1-CA 3.34Å; E226-N248 VanDerWaalsContact OE1-CB 3.22Å; E226-N248 WeakPolarHBondContact OE1-CB 3.41Å; E226-N248 PolarHBondContact OE1-N 3.37Å; E226-N248 PolarHBondContact OE1-ND2 3.11Å; M232-N248 HydrophobicContact CE-CB 4.2Å; V240-N248 WeakPolarHBondContact O-CA 3.47Å; R241-N248 WeakPolarHBondContact CB-OD1 3.41Å; R241-N248 VanDerWaalsContact CG-OD1 3.3Å; R241-N248 WeakPolarHBondContact CG-OD1 3.18Å; R241-N248 PolarHBondContact NE-OD1 3.02Å; R241-N248 PolarHBondContact NH2-OD1 2.98Å; G246-N248 VanDerWaalsContact O-CG 3.29Å; G246-N248 PolarHBondContact O-N 2.7Å; G246-N248 PolarHBondContact O-ND2 3.16Å; G246-N248 PolarHBondContact O-OD1 2.93Å
249	V	94.9	Very high	91.2	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	164.2	-177.4	-62.2	0	0	0	0	111.5	F214 C225 G239 V240 L247 C253 V257	F214-V249 HydrophobicContact CD1-CG2 4.14Å; F214-V249 HydrophobicContact CE1-CG2 3.51Å; F214-V249 HydrophobicContact CE2-CG2 4.46Å; F214-V249 HydrophobicContact CZ-CG2 3.69Å; C225-V249 VanDerWaalsContact SG-CA 3.54Å; G239-V249 WeakPolarHBondContact CA-O 3.41Å; V240-V249 HydrophobicContact CG2-CG2 3.66Å; V240-V249 WeakPolarHBondContact CG2-O 3.35Å; V240-V249 PolarHBondContact N-O 2.82Å; V240-V249 PolarHBondContact O-N 3.21Å; L247-V249 HydrophobicContact CD1-CG1 4.29Å; L247-V249 HydrophobicContact CD2-CG1 4.41Å; L247-V249 HydrophobicContact CG-CG1 4.06Å; V249-C253 HydrophobicContact CB-CB 4.14Å; V249-V257 HydrophobicContact CG1-CG2 4.15Å; V249-V257 HydrophobicContact CG2-CG2 4.41Å
250	H	95.6	Very high	90.7	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.028	20%	0.203	C	C	.	.			trans	-63	153.3	168.6	-59.8	103.5	0	0	0	111.2	C225 C228 N230 F231 W233 Q252 C253 S254	C225-H250 WeakPolarHBondContact CB-CE1 2.82Å; C225-H250 WeakPolarHBondContact CB-ND1 3.44Å; C225-H250 PolarHBondContact SG-N 3.47Å; C225-H250 VanDerWaalsContact SG-N 3.38Å; C225-H250 PolarHBondContact SG-ND1 3.45Å; C228-H250 PolarHBondContact SG-CE1 3.02Å; C228-H250 PolarHBondContact SG-ND1 2.94Å; N230-H250 PolarHBondContact O-CE1 3.32Å; F231-H250 PolarHBondContact O-NE2 3.01Å; W233-H250 AromaticContact CZ3-CD2 3.99Å; W233-H250 AromaticContact CZ3-NE2 3.77Å; H250-Q252 HydrophobicContact CB-CG 4.25Å; H250-Q252 PolarHBondContact O-N 2.73Å; H250-Q252 VanDerWaalsContact O-N 3.13Å; H250-C253 HydrophobicContact CB-CB 4.16Å; H250-C253 PolarHBondContact O-N 3.28Å; H250-C253 VanDerWaalsContact O-N 3.09Å; H250-S254 PolarHBondContact O-N 2.79Å
251	K	94.8	Very high	90.2	Very high	106 Å²	106	38.5 Å²	38.5	46%	0.461	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-30.3	174.8	-173.3	-179.6	-177.8	-174.6	0	113.3	E117 V240 S254	E117-K251 VanDerWaalsContact CD-NZ 3.3Å; E117-K251 IonicContact OE1-NZ 3.59Å; E117-K251 PolarHBondContact OE1-NZ 3.09Å; E117-K251 VanDerWaalsContact OE1-NZ 3.09Å; E117-K251 IonicContact OE2-NZ 3.25Å; E117-K251 PolarHBondContact OE2-NZ 3.32Å; V240-K251 HydrophobicContact CG1-CB 4.45Å; K251-S254 PolarHBondContact O-OG 3.05Å
252	Q	94.5	Very high	89.7	Confident	71 Å²	71	40.2 Å²	40.2	33%	0.332	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-37.6	177.2	68.8	112.5	33.7	0	0	112.6	M147 H250 S254 K255	M147-Q252 VanDerWaalsContact CE-CD 3.42Å; M147-Q252 HydrophobicContact CE-CG 3.63Å; H250-Q252 HydrophobicContact CB-CG 4.25Å; H250-Q252 PolarHBondContact O-N 2.73Å; H250-Q252 VanDerWaalsContact O-N 3.13Å; Q252-S254 VanDerWaalsContact C-N 3.28Å; Q252-S254 PolarHBondContact O-N 3.18Å; Q252-K255 PolarHBondContact O-N 3.08Å
253	C	94.4	Very high	89.3	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-65.3	-32.4	176	-63.6	0	0	0	0	111.7	Y227 V249 H250 K255 L256 V257	Y227-C253 HydrophobicContact CD1-CB 3.67Å; Y227-C253 HydrophobicContact CE1-CB 4.47Å; Y227-C253 HydrophobicContact CG-CB 4Å; V249-C253 HydrophobicContact CB-CB 4.14Å; H250-C253 HydrophobicContact CB-CB 4.16Å; H250-C253 PolarHBondContact O-N 3.28Å; H250-C253 VanDerWaalsContact O-N 3.09Å; C253-K255 PolarHBondContact O-N 3.13Å; C253-K255 VanDerWaalsContact O-N 3.08Å; C253-L256 PolarHBondContact O-N 3.3Å; C253-V257 WeakPolarHBondContact O-CG2 3.46Å; C253-V257 PolarHBondContact O-N 2.7Å; C253-V257 VanDerWaalsContact O-N 3.16Å
254	S	94.8	Very high	88.7	Confident	25 Å²	25	41.4 Å²	41.4	18%	0.175	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-59.3	-23	179.4	70.2	0	0	0	0	114.4	H250 K251 Q252 L256	H250-S254 PolarHBondContact O-N 2.79Å; K251-S254 PolarHBondContact O-OG 3.05Å; Q252-S254 VanDerWaalsContact C-N 3.28Å; Q252-S254 PolarHBondContact O-N 3.18Å; S254-L256 VanDerWaalsContact C-N 3.29Å
255	K	94.1	Very high	88.1	Confident	173 Å²	173	44.6 Å²	44.6	75%	0.752	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-78.4	-15.5	176	-57.9	178.4	-177.9	-179.8	0	113	Q252 C253	Q252-K255 PolarHBondContact O-N 3.08Å; C253-K255 PolarHBondContact O-N 3.13Å; C253-K255 VanDerWaalsContact O-N 3.08Å
256	L	92.7	Very high	87.6	Confident	83 Å²	83	54 Å²	54	44%	0.435	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-13.6	-175.8	-55.9	176.1	0	0	0	112.5	T148 Y227 C253 S254 P258	T148-L256 HydrophobicContact CG2-CD1 3.41Å; T148-L256 VanDerWaalsContact CG2-CD1 3.41Å; Y227-L256 HydrophobicContact CE1-CB 4.21Å; Y227-L256 HydrophobicContact CE1-CD1 4.21Å; Y227-L256 HydrophobicContact CE2-CB 4.19Å; C253-L256 PolarHBondContact O-N 3.3Å; S254-L256 VanDerWaalsContact C-N 3.29Å; L256-P258 WeakPolarHBondContact O-CD 3.36Å
257	V	90.3	Very high	86.9	Confident	16 Å²	16	58.8 Å²	58.8	10%	0.097	28%	0.28	C	S	.	.	S	Bend	trans	-64.1	126.7	176.2	175.1	0	0	0	0	109.1	Y153 F214 Y227 L247 V249 C253	Y153-V257 HydrophobicContact CE1-CG1 4.29Å; Y153-V257 HydrophobicContact CE2-CG1 4.11Å; F214-V257 HydrophobicContact CE2-CB 4.26Å; F214-V257 HydrophobicContact CE2-CG1 4.49Å; F214-V257 HydrophobicContact CE2-CG2 4.47Å; F214-V257 HydrophobicContact CZ-CB 4.31Å; F214-V257 HydrophobicContact CZ-CG1 4.3Å; F214-V257 HydrophobicContact CZ-CG2 4.18Å; Y227-V257 HydrophobicContact CD2-CG2 3.79Å; Y227-V257 HydrophobicContact CG-CG2 4.27Å; L247-V257 HydrophobicContact CD2-CG1 3.77Å; L247-V257 HydrophobicContact CD2-CG2 4.42Å; V249-V257 HydrophobicContact CG1-CG2 4.15Å; V249-V257 HydrophobicContact CG2-CG2 4.41Å; C253-V257 WeakPolarHBondContact O-CG2 3.46Å; C253-V257 PolarHBondContact O-N 2.7Å; C253-V257 VanDerWaalsContact O-N 3.16Å
258	P	90.1	Very high	86.1	Confident	57 Å²	57	60 Å²	60	37%	0.37	29%	0.286	S	S	.	.			trans	-57.1	159.5	175.1	-26.1	34.5	0	0	0	114.2	Y153 H212 L256 D260	Y153-P258 HydrophobicContact CD1-CG 4.3Å; Y153-P258 HydrophobicContact CE1-CG 4.09Å; H212-P258 PolarHBondContact CD2-O 2.93Å; H212-P258 VanDerWaalsContact CD2-O 3.23Å; H212-P258 PolarHBondContact NE2-O 3.29Å; L256-P258 WeakPolarHBondContact O-CD 3.36Å; P258-D260 PolarHBondContact O-N 3.41Å; P258-D260 VanDerWaalsContact O-OD1 3.11Å
259	S	88.1	Confident	85	Confident	41 Å²	41	67.7 Å²	67.7	29%	0.287	32%	0.318	S	S	.	.	S	Bend	trans	-78.4	51.2	176.9	-60.1	0	0	0	0	112.7	E209 K210 I211	E209-S259 CarbonylContact C-O 3.41Å; E209-S259 WeakPolarHBondContact CA-O 3.32Å; K210-S259 CarbonylContact C-O 3.6Å; K210-S259 PolarHBondContact N-O 3.45Å; K210-S259 CarbonylContact O-C 3.58Å; K210-S259 WeakPolarHBondContact O-CA 3.24Å; K210-S259 VanDerWaalsContact O-O 3.1Å; I211-S259 WeakPolarHBondContact CG1-OG 3.14Å
260	D	85.6	Confident	84.1	Confident	43 Å²	43	73.6 Å²	73.6	23%	0.23	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-109.8	22.4	-174.8	67.5	-13.4	0	0	0	113.2	Y153 K210 H212 P258 Q262	Y153-D260 WeakPolarHBondContact CE1-OD2 3.37Å; Y153-D260 VanDerWaalsContact OH-CG 3.28Å; Y153-D260 PolarHBondContact OH-OD1 3.14Å; Y153-D260 PolarHBondContact OH-OD2 3.08Å; K210-D260 PolarHBondContact O-N 3.02Å; H212-D260 IonicContact CE1-OD1 3.14Å; H212-D260 IonicContact NE2-OD1 3.06Å; H212-D260 PolarHBondContact NE2-OD1 3.41Å; P258-D260 PolarHBondContact O-N 3.41Å; P258-D260 VanDerWaalsContact O-OD1 3.11Å; D260-Q262 PolarHBondContact O-N 2.85Å
261	C	85.6	Confident	83.6	Confident	0 Å²	0	73.7 Å²	73.7	0%	0	35%	0.345	C	S	.	.			trans	-55.5	123.5	-174.2	-172.3	0	0	0	0	112.3	K210 H212 P263	K210-C261 HydrophobicContact CB-CB 4.15Å; K210-C261 HydrophobicContact CD-CB 4.01Å; K210-C261 HydrophobicContact CG-CB 3.95Å; K210-C261 PolarHBondContact NZ-SG 3.36Å; K210-C261 VanDerWaalsContact NZ-SG 3.44Å; K210-C261 WeakPolarHBondContact O-CB 3.31Å; K210-C261 PolarHBondContact O-N 3.47Å; H212-C261 VanDerWaalsContact CE1-CA 3.47Å; H212-C261 WeakPolarHBondContact CE1-CA 3.37Å; H212-C261 PolarHBondContact ND1-SG 3.45Å; H212-C261 PolarHBondContact NE2-N 3.45Å; C261-P263 WeakPolarHBondContact O-CD 3.44Å
262	Q	83.1	Confident	83.2	Confident	99 Å²	99	68.7 Å²	68.7	46%	0.463	32%	0.323	S	S	.	.			trans	-111.3	98.7	172.2	-63.5	-167.4	0	0	0	109.3	C245 D260	C245-Q262 WeakPolarHBondContact CB-O 3.48Å; D260-Q262 PolarHBondContact O-N 2.85Å
263	P	81.7	Confident	82.6	Confident	15 Å²	15	68 Å²	68	10%	0.097	33%	0.326	C	S	.	.			trans	-62.5	141	-176.7	-22.3	33.8	0	0	0	112.9	K210 D244 C261 I268 T278 K281 A282	K210-P263 HydrophobicContact CD-CG 3.93Å; D244-P263 HydrophobicContact CB-CB 4.14Å; D244-P263 HydrophobicContact CB-CG 4.24Å; D244-P263 WeakPolarHBondContact O-CA 3.35Å; C261-P263 WeakPolarHBondContact O-CD 3.44Å; P263-I268 HydrophobicContact CB-CD1 4.18Å; P263-T278 HydrophobicContact CB-CG2 3.76Å; P263-T278 HydrophobicContact CG-CG2 3.75Å; P263-K281 HydrophobicContact CG-CB 4.33Å; P263-A282 HydrophobicContact CB-CB 4.09Å
264	D	74.9	Confident	81.7	Confident	57 Å²	57	68.9 Å²	68.9	31%	0.305	33%	0.332	S	S	.	.			trans	-93.1	119.4	176	179.3	0.8	0	0	0	109.6	D244 R266 R267 I268	D244-D264 PolarHBondContact O-N 2.89Å; D264-R266 PolarHBondContact O-N 2.88Å; D264-R266 VanDerWaalsContact O-N 3.07Å; D264-R266 WeakPolarHBondContact OD1-CB 3.4Å; D264-R266 WeakPolarHBondContact OD1-CG 3.35Å; D264-R266 PolarHBondContact OD1-N 3.45Å; D264-R267 HydrophobicContact CB-CG 4.13Å; D264-R267 WeakPolarHBondContact O-CB 3.33Å; D264-R267 PolarHBondContact O-N 3.17Å; D264-R267 IonicContact OD2-NE 3.9Å; D264-I268 PolarHBondContact O-N 3.44Å
265	L	70.6	Confident	81	Confident	87 Å²	87	69 Å²	69	46%	0.455	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-32.3	176.7	-77.1	170.7	0	0	0	113	R267 I268 A282	L265-R267 PolarHBondContact O-N 3.33Å; L265-I268 PolarHBondContact O-N 3.08Å; L265-A282 WeakPolarHBondContact CD1-O 3.45Å; L265-A282 HydrophobicContact CD2-CB 3.58Å; L265-A282 WeakPolarHBondContact CD2-O 3.49Å; L265-A282 HydrophobicContact CG-CB 4.03Å; L265-A282 VanDerWaalsContact CG-O 3.27Å; L265-A282 WeakPolarHBondContact CG-O 3.18Å
266	R	71.9	Confident	80.6	Confident	223 Å²	223	60.8 Å²	60.8	84%	0.842	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.6	178.5	-62.5	174.7	178	-175.6	-1.5	113.1	D264	D264-R266 PolarHBondContact O-N 2.88Å; D264-R266 VanDerWaalsContact O-N 3.07Å; D264-R266 WeakPolarHBondContact OD1-CB 3.4Å; D264-R266 WeakPolarHBondContact OD1-CG 3.35Å; D264-R266 PolarHBondContact OD1-N 3.45Å
267	R	68.8	Low	80.1	Confident	107 Å²	107	57 Å²	57	40%	0.404	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-20.3	-178.7	-60.9	-178.1	179.3	-87.4	1.1	112.3	D264 L265 K269	D264-R267 HydrophobicContact CB-CG 4.13Å; D264-R267 WeakPolarHBondContact O-CB 3.33Å; D264-R267 PolarHBondContact O-N 3.17Å; D264-R267 IonicContact OD2-NE 3.9Å; L265-R267 PolarHBondContact O-N 3.33Å; R267-K269 PolarHBondContact O-N 2.68Å
268	I	71.4	Confident	79.6	Confident	32 Å²	32	56.3 Å²	56.3	16%	0.164	27%	0.271	C	S	.	.			trans	-82.1	100.4	176.4	-58.5	175.7	0	0	0	108.1	P263 D264 L265 K270 T278 L279 A282	P263-I268 HydrophobicContact CB-CD1 4.18Å; D264-I268 PolarHBondContact O-N 3.44Å; L265-I268 PolarHBondContact O-N 3.08Å; I268-K270 VanDerWaalsContact CG2-O 3.28Å; I268-K270 WeakPolarHBondContact CG2-O 3.3Å; I268-T278 HydrophobicContact CD1-CG2 3.93Å; I268-T278 HydrophobicContact CG1-CG2 4.41Å; I268-L279 HydrophobicContact CG2-CD1 4.38Å; I268-A282 HydrophobicContact CD1-CB 3.16Å
269	K	66.9	Low	79.3	Confident	181 Å²	181	53.6 Å²	53.6	79%	0.787	25%	0.254	S	S	*	.			trans	-90.3	-11.5	-176.2	-64.8	-174.6	178.7	-175.8	0	114.1	R267	R267-K269 PolarHBondContact O-N 2.68Å
270	K	76.9	Confident	79.3	Confident	124 Å²	124	52.2 Å²	52.2	54%	0.539	24%	0.243	S	C	.	.			trans	-146.5	150.2	-173.9	-63.4	-170.6	178.6	-168.5	0	109.5	I268	I268-K270 VanDerWaalsContact CG2-O 3.28Å; I268-K270 WeakPolarHBondContact CG2-O 3.3Å
271	V	85.1	Confident	79	Confident	8 Å²	8	53 Å²	53	5%	0.048	25%	0.245	C	C	.	.	S	Bend	trans	-92.3	-46.5	176.2	176.7	0	0	0	0	109.5	C274 L279 M289 V290 F325 D326 Y352	V271-C274 WeakPolarHBondContact O-CB 3.2Å; V271-L279 HydrophobicContact CG1-CD1 4.4Å; V271-L279 HydrophobicContact CG1-CD2 3.87Å; V271-M289 HydrophobicContact CG1-SD 3.8Å; V271-M289 HydrophobicContact CG2-SD 4.46Å; V271-V290 HydrophobicContact CG1-CG2 3.39Å; V271-F325 VanDerWaalsContact CG2-O 3.26Å; V271-F325 WeakPolarHBondContact CG2-O 3.45Å; V271-D326 WeakPolarHBondContact CA-OD1 3.46Å; V271-D326 PolarHBondContact N-OD1 2.99Å; V271-Y352 HydrophobicContact CG1-CE2 4.32Å
272	Y	86	Confident	78.7	Confident	1 Å²	1	53.7 Å²	53.7	0%	0.004	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	145.9	172.7	-81.6	-114.1	0	0	0	111	C274 V290 R322 F325 D326 A348 L351 Y352	Y272-C274 PolarHBondContact O-N 3.26Å; Y272-V290 HydrophobicContact CE2-CG1 4.1Å; Y272-V290 HydrophobicContact CE2-CG2 4.1Å; Y272-R322 HydrophobicContact CD1-CB 4.2Å; Y272-R322 HydrophobicContact CD1-CG 3.74Å; Y272-R322 HydrophobicContact CD2-CB 4.25Å; Y272-R322 HydrophobicContact CD2-CG 3.81Å; Y272-R322 HydrophobicContact CE1-CB 3.98Å; Y272-R322 HydrophobicContact CE1-CG 4.06Å; Y272-R322 HydrophobicContact CE2-CB 4.08Å; Y272-R322 HydrophobicContact CE2-CG 4.16Å; Y272-R322 HydrophobicContact CG-CB 4.32Å; Y272-R322 HydrophobicContact CG-CG 3.6Å; Y272-F325 HydrophobicContact CD2-CB 4.23Å; Y272-F325 HydrophobicContact CE2-CB 3.87Å; Y272-F325 AromaticContact CE2-CD2 3.96Å; Y272-F325 HydrophobicContact CE2-CD2 3.96Å; Y272-F325 HydrophobicContact CE2-CG 4.25Å; Y272-D326 PolarHBondContact N-OD1 3.35Å; Y272-A348 PolarHBondContact OH-O 3Å; Y272-L351 HydrophobicContact CD1-CG 4.32Å; Y272-L351 HydrophobicContact CE1-CB 4.25Å; Y272-L351 HydrophobicContact CE1-CD2 4.15Å; Y272-L351 HydrophobicContact CE1-CG 3.92Å; Y272-Y352 HydrophobicContact CD1-CD2 4.2Å; Y272-Y352 HydrophobicContact CD2-CD2 4.1Å; Y272-Y352 HydrophobicContact CE1-CD2 4.21Å; Y272-Y352 HydrophobicContact CE1-CG 4.42Å; Y272-Y352 HydrophobicContact CE2-CD2 4.08Å; Y272-Y352 HydrophobicContact CG-CD2 4.14Å
273	S	81.3	Confident	78.7	Confident	56 Å²	56	51.9 Å²	51.9	39%	0.392	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	11.4	-176.2	-45.7	0	0	0	0	114.9	R322 D355 P357	S273-R322 PolarHBondContact OG-NH2 2.97Å; S273-D355 VanDerWaalsContact CA-O 3.3Å; S273-D355 WeakPolarHBondContact CA-O 3.49Å; S273-P357 VanDerWaalsContact O-CG 3.24Å; S273-P357 WeakPolarHBondContact O-CG 3.47Å
274	C	75.6	Confident	78.8	Confident	18 Å²	18	57.1 Å²	57.1	12%	0.122	27%	0.269	C	S	.	.	S	Bend	trans	-81	141.8	163.7	-175.7	0	0	0	0	108.9	V271 Y272 L276	V271-C274 WeakPolarHBondContact O-CB 3.2Å; Y272-C274 PolarHBondContact O-N 3.26Å; C274-L276 PolarHBondContact O-N 3.37Å
275	D	81.1	Confident	79.4	Confident	29 Å²	29	56.8 Å²	56.8	16%	0.155	27%	0.268	C	S	.	.			trans	-56.1	135.1	171.2	164.7	67.2	0	0	0	110.5	T277 T278 L279	D275-T277 PolarHBondContact O-N 3.28Å; D275-T277 WeakPolarHBondContact OD2-CB 3.37Å; D275-T277 PolarHBondContact OD2-N 2.62Å; D275-T278 WeakPolarHBondContact CB-OG1 3.47Å; D275-T278 WeakPolarHBondContact O-CB 3.4Å; D275-T278 PolarHBondContact O-N 2.66Å; D275-T278 VanDerWaalsContact O-N 3.14Å; D275-T278 WeakPolarHBondContact OD2-CB 3.49Å; D275-T278 PolarHBondContact OD2-N 2.79Å; D275-T278 PolarHBondContact OD2-OG1 3.32Å; D275-L279 PolarHBondContact O-N 3.27Å
276	L	84.3	Confident	80.4	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-58.8	-49.6	-172.2	178	59.8	0	0	0	111.1	C274 T278 L279 V280 P288 L356 A395 H396 T399	C274-L276 PolarHBondContact O-N 3.37Å; L276-T278 VanDerWaalsContact C-N 3.31Å; L276-T278 PolarHBondContact O-N 3.43Å; L276-L279 PolarHBondContact O-N 3.14Å; L276-V280 HydrophobicContact CD1-CG2 4.33Å; L276-V280 WeakPolarHBondContact O-CB 3.32Å; L276-V280 VanDerWaalsContact O-CG2 3.29Å; L276-V280 WeakPolarHBondContact O-CG2 3.37Å; L276-V280 PolarHBondContact O-N 3.36Å; L276-P288 HydrophobicContact CD1-CG 3.15Å; L276-L356 HydrophobicContact CB-CD1 4.33Å; L276-L356 HydrophobicContact CB-CD2 4.17Å; L276-L356 HydrophobicContact CD2-CD1 4.35Å; L276-A395 HydrophobicContact CG-CB 4.3Å; L276-H396 HydrophobicContact CD2-CB 4.27Å; L276-T399 HydrophobicContact CD2-CG2 4.42Å
277	T	83.9	Confident	81.4	Confident	4 Å²	4	48.2 Å²	48.2	3%	0.025	24%	0.24	C	C	.	.	H	α-helix	trans	-60	-42.4	177	-79.1	0	0	0	0	111.9	Y208 K210 D275 K281	Y208-T277 HydrophobicContact CE1-CG2 3.4Å; Y208-T277 VanDerWaalsContact CE1-CG2 3.4Å; Y208-T277 WeakPolarHBondContact OH-CG2 3.42Å; Y208-T277 PolarHBondContact OH-OG1 3.14Å; K210-T277 HydrophobicContact CB-CG2 4.05Å; K210-T277 HydrophobicContact CD-CG2 3.6Å; K210-T277 HydrophobicContact CG-CG2 3.63Å; D275-T277 PolarHBondContact O-N 3.28Å; D275-T277 WeakPolarHBondContact OD2-CB 3.37Å; D275-T277 PolarHBondContact OD2-N 2.62Å; T277-K281 WeakPolarHBondContact O-CB 3.36Å; T277-K281 WeakPolarHBondContact O-CG 3.48Å; T277-K281 PolarHBondContact O-N 3.5Å
278	T	78.9	Confident	82.6	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-59.5	-49.2	177.8	-61.2	0	0	0	0	111.2	K210 D244 P263 I268 D275 L276 A282	K210-T278 WeakPolarHBondContact CE-OG1 3.25Å; K210-T278 PolarHBondContact NZ-OG1 3.48Å; D244-T278 HydrophobicContact CB-CG2 4.01Å; P263-T278 HydrophobicContact CB-CG2 3.76Å; P263-T278 HydrophobicContact CG-CG2 3.75Å; I268-T278 HydrophobicContact CD1-CG2 3.93Å; I268-T278 HydrophobicContact CG1-CG2 4.41Å; D275-T278 WeakPolarHBondContact CB-OG1 3.47Å; D275-T278 WeakPolarHBondContact O-CB 3.4Å; D275-T278 PolarHBondContact O-N 2.66Å; D275-T278 VanDerWaalsContact O-N 3.14Å; D275-T278 WeakPolarHBondContact OD2-CB 3.49Å; D275-T278 PolarHBondContact OD2-N 2.79Å; D275-T278 PolarHBondContact OD2-OG1 3.32Å; L276-T278 VanDerWaalsContact C-N 3.31Å; L276-T278 PolarHBondContact O-N 3.43Å; T278-A282 VanDerWaalsContact O-CB 3.3Å; T278-A282 WeakPolarHBondContact O-CB 3.43Å; T278-A282 PolarHBondContact O-N 3.42Å
279	L	82.7	Confident	83.8	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.1	-48.8	-178.4	-172.6	70.7	0	0	0	111.4	I268 V271 D275 L276 K281 A282 H283 P288 M289 Y352	I268-L279 HydrophobicContact CG2-CD1 4.38Å; V271-L279 HydrophobicContact CG1-CD1 4.4Å; V271-L279 HydrophobicContact CG1-CD2 3.87Å; D275-L279 PolarHBondContact O-N 3.27Å; L276-L279 PolarHBondContact O-N 3.14Å; L279-K281 PolarHBondContact O-N 3.08Å; L279-A282 PolarHBondContact O-N 2.93Å; L279-H283 PolarHBondContact O-CD2 3.2Å; L279-H283 VanDerWaalsContact O-CD2 3.29Å; L279-H283 PolarHBondContact O-N 2.83Å; L279-P288 HydrophobicContact CD2-CB 3.88Å; L279-P288 HydrophobicContact CD2-CG 4.29Å; L279-M289 HydrophobicContact CD2-SD 4.21Å; L279-Y352 HydrophobicContact CD2-CE2 4.44Å; L279-Y352 WeakPolarHBondContact CD2-OH 3.46Å
280	V	88.1	Confident	85.2	Confident	11 Å²	11	33.3 Å²	33.3	7%	0.067	18%	0.177	C	C	.	.	H	α-helix	trans	-59.6	-46.5	180	171.2	0	0	0	0	111.3	L276 N284 T285 P288 A395	L276-V280 HydrophobicContact CD1-CG2 4.33Å; L276-V280 WeakPolarHBondContact O-CB 3.32Å; L276-V280 VanDerWaalsContact O-CG2 3.29Å; L276-V280 WeakPolarHBondContact O-CG2 3.37Å; L276-V280 PolarHBondContact O-N 3.36Å; V280-N284 PolarHBondContact O-N 3.49Å; V280-T285 WeakPolarHBondContact CG1-O 3.32Å; V280-T285 PolarHBondContact O-N 3.43Å; V280-T285 VanDerWaalsContact O-N 3.14Å; V280-P288 HydrophobicContact CG2-CG 4.14Å; V280-A395 HydrophobicContact CB-CB 4.12Å; V280-A395 HydrophobicContact CG1-CB 4.16Å; V280-A395 HydrophobicContact CG2-CB 4.09Å
281	K	80.7	Confident	86.3	Confident	61 Å²	61	27.5 Å²	27.5	27%	0.265	15%	0.152	S	C	.	.	H	α-helix	trans	-64.6	-43.1	177.5	-77.1	-160.6	179.9	-171.6	0	112.8	Y208 K210 P263 T277 L279 N284	Y208-K281 PolarHBondContact O-NZ 3.41Å; K210-K281 HydrophobicContact CB-CD 4.24Å; K210-K281 HydrophobicContact CD-CD 4.03Å; P263-K281 HydrophobicContact CG-CB 4.33Å; T277-K281 WeakPolarHBondContact O-CB 3.36Å; T277-K281 WeakPolarHBondContact O-CG 3.48Å; T277-K281 PolarHBondContact O-N 3.5Å; L279-K281 PolarHBondContact O-N 3.08Å; K281-N284 PolarHBondContact O-N 3.44Å
282	A	79.4	Confident	86.9	Confident	13 Å²	13	29 Å²	29	11%	0.107	16%	0.16	C	C	.	.	H	α-helix	trans	-65.8	-41	-176.9	0	0	0	0	0	112.1	P263 L265 I268 T278 L279 N284	P263-A282 HydrophobicContact CB-CB 4.09Å; L265-A282 WeakPolarHBondContact CD1-O 3.45Å; L265-A282 HydrophobicContact CD2-CB 3.58Å; L265-A282 WeakPolarHBondContact CD2-O 3.49Å; L265-A282 HydrophobicContact CG-CB 4.03Å; L265-A282 VanDerWaalsContact CG-O 3.27Å; L265-A282 WeakPolarHBondContact CG-O 3.18Å; I268-A282 HydrophobicContact CD1-CB 3.16Å; T278-A282 VanDerWaalsContact O-CB 3.3Å; T278-A282 WeakPolarHBondContact O-CB 3.43Å; T278-A282 PolarHBondContact O-N 3.42Å; L279-A282 PolarHBondContact O-N 2.93Å; A282-N284 VanDerWaalsContact C-N 3.28Å
283	H	82.1	Confident	87.5	Confident	62 Å²	62	29.9 Å²	29.9	29%	0.287	16%	0.164	S	C	.	.	H	α-helix	trans	-82.2	-6.5	178	-73.7	-93.2	0	0	0	113.2	L279 T285 M289	L279-H283 PolarHBondContact O-CD2 3.2Å; L279-H283 VanDerWaalsContact O-CD2 3.29Å; L279-H283 PolarHBondContact O-N 2.83Å; H283-T285 VanDerWaalsContact C-N 3.25Å; H283-T285 HydrophobicContact CB-CG2 4.07Å; H283-T285 PolarHBondContact O-N 3.49Å; H283-M289 HydrophobicContact CB-CE 4.14Å
284	N	84.3	Confident	88.3	Confident	125 Å²	125	27.2 Å²	27.2	67%	0.668	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	44.1	-176.5	-169.1	65.7	0	0	0	112.2	V280 K281 A282	V280-N284 PolarHBondContact O-N 3.49Å; K281-N284 PolarHBondContact O-N 3.44Å; A282-N284 VanDerWaalsContact C-N 3.28Å
285	T	88.4	Confident	89.4	Confident	49 Å²	49	26.4 Å²	26.4	30%	0.301	14%	0.14	S	C	.	.			trans	-109.8	176.7	175	62.3	0	0	0	0	109.8	V280 H283 R287	V280-T285 WeakPolarHBondContact CG1-O 3.32Å; V280-T285 PolarHBondContact O-N 3.43Å; V280-T285 VanDerWaalsContact O-N 3.14Å; H283-T285 VanDerWaalsContact C-N 3.25Å; H283-T285 HydrophobicContact CB-CG2 4.07Å; H283-T285 PolarHBondContact O-N 3.49Å; T285-R287 WeakPolarHBondContact CB-O 3.43Å; T285-R287 PolarHBondContact OG1-O 3.3Å
286	T	90.3	Very high	90.2	Very high	85 Å²	85	32.3 Å²	32.3	52%	0.521	16%	0.16	S	C	.	.	S	Bend	trans	-94.4	-22.6	173.1	56.9	0	0	0	0	112.6
287	R	94.3	Very high	90.9	Very high	46 Å²	46	33.2 Å²	33.2	17%	0.174	16%	0.164	C	C	.	.	S	Bend	trans	-150.7	165.6	177.8	63.4	-169	174.9	-79.6	-16.2	110.7	T285 D292 E398	T285-R287 WeakPolarHBondContact CB-O 3.43Å; T285-R287 PolarHBondContact OG1-O 3.3Å; R287-D292 WeakPolarHBondContact CG-OD2 3.3Å; R287-D292 IonicContact CZ-OD1 3.75Å; R287-D292 IonicContact CZ-OD2 3.48Å; R287-D292 VanDerWaalsContact NE-CG 3.28Å; R287-D292 IonicContact NE-OD1 3.97Å; R287-D292 PolarHBondContact NE-OD1 2.65Å; R287-D292 IonicContact NE-OD2 3.62Å; R287-D292 PolarHBondContact NE-OD2 3.05Å; R287-D292 IonicContact NH2-OD1 3.81Å; R287-D292 PolarHBondContact NH2-OD1 3.5Å; R287-D292 IonicContact NH2-OD2 2.84Å; R287-D292 PolarHBondContact NH2-OD2 3.03Å; R287-E398 IonicContact NH1-OE1 3.28Å
288	P	93.9	Very high	91.6	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.			trans	-67.6	144.4	-178.6	-24.2	36.3	0	0	0	113.9	L276 L279 V280 V290 V291 D292 Y352 T399	L276-P288 HydrophobicContact CD1-CG 3.15Å; L279-P288 HydrophobicContact CD2-CB 3.88Å; L279-P288 HydrophobicContact CD2-CG 4.29Å; V280-P288 HydrophobicContact CG2-CG 4.14Å; P288-V290 PolarHBondContact O-N 3.49Å; P288-V291 HydrophobicContact CB-CG2 4.18Å; P288-V291 HydrophobicContact CG-CG2 4.25Å; P288-V291 PolarHBondContact O-N 3.32Å; P288-V291 VanDerWaalsContact O-N 3.1Å; P288-D292 PolarHBondContact O-N 2.93Å; P288-Y352 HydrophobicContact CB-CE1 3.99Å; P288-Y352 VanDerWaalsContact CB-OH 3.24Å; P288-Y352 WeakPolarHBondContact CB-OH 3.34Å; P288-Y352 HydrophobicContact CG-CE1 3.93Å; P288-Y352 WeakPolarHBondContact CG-OH 3.39Å; P288-T399 WeakPolarHBondContact CD-OG1 3.49Å
289	M	95.5	Very high	92.5	Very high	7 Å²	7	35.8 Å²	35.8	3%	0.034	18%	0.176	C	C	.	.	H	α-helix	trans	-59.1	-32.2	174.4	65.1	-65.2	-54.9	0	0	113.2	V271 L279 H283 V291 D292 M293 E330	V271-M289 HydrophobicContact CG1-SD 3.8Å; V271-M289 HydrophobicContact CG2-SD 4.46Å; L279-M289 HydrophobicContact CD2-SD 4.21Å; H283-M289 HydrophobicContact CB-CE 4.14Å; M289-V291 VanDerWaalsContact C-N 3.31Å; M289-V291 PolarHBondContact O-N 2.95Å; M289-D292 PolarHBondContact O-N 2.94Å; M289-M293 HydrophobicContact CB-SD 4.33Å; M289-M293 VanDerWaalsContact O-CB 3.26Å; M289-M293 WeakPolarHBondContact O-CB 3.45Å; M289-M293 VanDerWaalsContact O-CG 3.23Å; M289-M293 WeakPolarHBondContact O-CG 3.22Å; M289-M293 PolarHBondContact O-N 3.46Å; M289-E330 HydrophobicContact CB-CG 3.67Å; M289-E330 HydrophobicContact CG-CG 3.98Å
290	V	97.4	Very high	93.3	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-60.6	-43.4	176.6	-175.1	0	0	0	0	111	V271 Y272 P288 C294 F325 Y352	V271-V290 HydrophobicContact CG1-CG2 3.39Å; Y272-V290 HydrophobicContact CE2-CG1 4.1Å; Y272-V290 HydrophobicContact CE2-CG2 4.1Å; P288-V290 PolarHBondContact O-N 3.49Å; V290-C294 WeakPolarHBondContact O-CB 3.36Å; V290-C294 PolarHBondContact O-N 3.47Å; V290-C294 PolarHBondContact O-SG 2.76Å; V290-F325 HydrophobicContact CB-CE1 4.47Å; V290-F325 HydrophobicContact CB-CZ 4.45Å; V290-F325 HydrophobicContact CG1-CD2 4.12Å; V290-F325 HydrophobicContact CG1-CE2 3.93Å; V290-F325 HydrophobicContact CG1-CZ 4.22Å; V290-F325 HydrophobicContact CG2-CB 4.2Å; V290-F325 HydrophobicContact CG2-CD1 3.82Å; V290-F325 HydrophobicContact CG2-CD2 4.19Å; V290-F325 HydrophobicContact CG2-CE1 4.17Å; V290-F325 HydrophobicContact CG2-CG 3.82Å; V290-Y352 HydrophobicContact CB-CD1 4.27Å; V290-Y352 HydrophobicContact CB-CD2 3.96Å; V290-Y352 HydrophobicContact CB-CE2 4.23Å; V290-Y352 HydrophobicContact CB-CG 4Å; V290-Y352 HydrophobicContact CG1-CD1 4.24Å; V290-Y352 HydrophobicContact CG1-CD2 3.95Å; V290-Y352 HydrophobicContact CG1-CG 3.71Å; V290-Y352 HydrophobicContact CG2-CD2 3.89Å; V290-Y352 HydrophobicContact CG2-CE2 3.99Å; V290-Y352 HydrophobicContact CG2-CG 4.43Å
291	V	98.3	Very high	93.7	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-65.7	-47.8	-180	176.8	0	0	0	0	109.9	P288 M289 I295 L349 Y352 L353 T399 Y402	P288-V291 HydrophobicContact CB-CG2 4.18Å; P288-V291 HydrophobicContact CG-CG2 4.25Å; P288-V291 PolarHBondContact O-N 3.32Å; P288-V291 VanDerWaalsContact O-N 3.1Å; M289-V291 VanDerWaalsContact C-N 3.31Å; M289-V291 PolarHBondContact O-N 2.95Å; V291-I295 HydrophobicContact CG1-CD1 3.74Å; V291-I295 VanDerWaalsContact O-CB 3.27Å; V291-I295 WeakPolarHBondContact O-CB 3.37Å; V291-I295 VanDerWaalsContact O-CG1 3.31Å; V291-I295 WeakPolarHBondContact O-CG1 3.29Å; V291-I295 PolarHBondContact O-N 3.04Å; V291-L349 HydrophobicContact CB-CD1 4.49Å; V291-L349 HydrophobicContact CG2-CD1 4.21Å; V291-Y352 HydrophobicContact CG2-CD1 3.96Å; V291-Y352 HydrophobicContact CG2-CE1 3.76Å; V291-L353 HydrophobicContact CG2-CD2 4.38Å; V291-T399 HydrophobicContact CG1-CG2 4.49Å; V291-T399 HydrophobicContact CG2-CG2 4.03Å; V291-Y402 HydrophobicContact CG1-CD1 4.07Å
292	D	98.1	Very high	94.5	Very high	41 Å²	41	42.9 Å²	42.9	22%	0.219	21%	0.209	C	C	.	.	H	α-helix	trans	-62	-50.3	178.8	-89	-39.1	0	0	0	113.3	R287 P288 M289 R296	R287-D292 WeakPolarHBondContact CG-OD2 3.3Å; R287-D292 IonicContact CZ-OD1 3.75Å; R287-D292 IonicContact CZ-OD2 3.48Å; R287-D292 VanDerWaalsContact NE-CG 3.28Å; R287-D292 IonicContact NE-OD1 3.97Å; R287-D292 PolarHBondContact NE-OD1 2.65Å; R287-D292 IonicContact NE-OD2 3.62Å; R287-D292 PolarHBondContact NE-OD2 3.05Å; R287-D292 IonicContact NH2-OD1 3.81Å; R287-D292 PolarHBondContact NH2-OD1 3.5Å; R287-D292 IonicContact NH2-OD2 2.84Å; R287-D292 PolarHBondContact NH2-OD2 3.03Å; P288-D292 PolarHBondContact O-N 2.93Å; M289-D292 PolarHBondContact O-N 2.94Å; D292-R296 WeakPolarHBondContact O-CB 3.26Å; D292-R296 PolarHBondContact O-N 3.17Å
293	M	98.4	Very high	95.3	Very high	19 Å²	19	43.1 Å²	43.1	9%	0.094	21%	0.208	C	C	.	.	H	α-helix	trans	-68.2	-46	-175.1	-69.2	176.3	61.3	0	0	110.9	M289 R296 E297 F325 A332 I334	M289-M293 HydrophobicContact CB-SD 4.33Å; M289-M293 VanDerWaalsContact O-CB 3.26Å; M289-M293 WeakPolarHBondContact O-CB 3.45Å; M289-M293 VanDerWaalsContact O-CG 3.23Å; M289-M293 WeakPolarHBondContact O-CG 3.22Å; M289-M293 PolarHBondContact O-N 3.46Å; M293-R296 PolarHBondContact O-N 2.91Å; M293-E297 WeakPolarHBondContact O-CB 3.46Å; M293-E297 PolarHBondContact O-N 3.09Å; M293-F325 HydrophobicContact CB-CE1 4.21Å; M293-F325 HydrophobicContact CB-CZ 4.08Å; M293-F325 HydrophobicContact CE-CE1 3.98Å; M293-F325 HydrophobicContact CE-CZ 4.44Å; M293-F325 HydrophobicContact SD-CE1 3.77Å; M293-A332 HydrophobicContact CE-CB 4.5Å; M293-A332 WeakPolarHBondContact CE-O 3.4Å; M293-I334 HydrophobicContact CB-CD1 3.77Å; M293-I334 HydrophobicContact CE-CG1 4.46Å; M293-I334 WeakPolarHBondContact O-CD1 3.29Å
294	C	98.6	Very high	96.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-46	179.1	-69.5	0	0	0	0	112.1	V290 R296 E297 I298 I345 L349	V290-C294 WeakPolarHBondContact O-CB 3.36Å; V290-C294 PolarHBondContact O-N 3.47Å; V290-C294 PolarHBondContact O-SG 2.76Å; C294-R296 VanDerWaalsContact C-N 3.35Å; C294-R296 PolarHBondContact O-N 3.13Å; C294-E297 PolarHBondContact O-N 2.95Å; C294-I298 WeakPolarHBondContact O-CB 3.45Å; C294-I298 WeakPolarHBondContact O-CD1 3.46Å; C294-I298 WeakPolarHBondContact O-CG1 3.46Å; C294-I298 PolarHBondContact O-N 3.08Å; C294-I345 HydrophobicContact CB-CG2 3.83Å; C294-L349 HydrophobicContact CB-CB 3.91Å; C294-L349 HydrophobicContact CB-CD1 4.27Å; C294-L349 HydrophobicContact CB-CD2 4.33Å; C294-L349 HydrophobicContact CB-CG 4.4Å
295	I	98.8	Very high	96.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.8	-45.2	178.4	-74.6	174.7	0	0	0	110.4	V291 E297 I298 E299 L349 Y402 L403 H406	V291-I295 HydrophobicContact CG1-CD1 3.74Å; V291-I295 VanDerWaalsContact O-CB 3.27Å; V291-I295 WeakPolarHBondContact O-CB 3.37Å; V291-I295 VanDerWaalsContact O-CG1 3.31Å; V291-I295 WeakPolarHBondContact O-CG1 3.29Å; V291-I295 PolarHBondContact O-N 3.04Å; I295-E297 VanDerWaalsContact C-N 3.32Å; I295-E297 PolarHBondContact O-N 3.47Å; I295-I298 PolarHBondContact O-N 2.97Å; I295-E299 HydrophobicContact CG2-CG 4.32Å; I295-E299 WeakPolarHBondContact O-CB 3.43Å; I295-E299 WeakPolarHBondContact O-CG 3.43Å; I295-E299 PolarHBondContact O-N 2.98Å; I295-L349 HydrophobicContact CD1-CD2 4.46Å; I295-L349 HydrophobicContact CG1-CD2 3.79Å; I295-Y402 HydrophobicContact CB-CE1 4.07Å; I295-Y402 HydrophobicContact CD1-CD1 3.67Å; I295-Y402 HydrophobicContact CD1-CE1 3.75Å; I295-Y402 HydrophobicContact CG2-CE1 3.85Å; I295-L403 HydrophobicContact CD1-CD1 4.25Å; I295-H406 HydrophobicContact CD1-CB 4Å; I295-H406 HydrophobicContact CG1-CB 4.34Å; I295-H406 HydrophobicContact CG2-CB 3.88Å
296	R	98.4	Very high	97.2	Very high	153 Å²	153	45.6 Å²	45.6	58%	0.577	21%	0.214	S	C	*	.	H	α-helix	trans	-58.2	-44.3	177.6	179.2	168.9	57.6	99.2	-0.1	112.2	D292 M293 C294 L300	D292-R296 WeakPolarHBondContact O-CB 3.26Å; D292-R296 PolarHBondContact O-N 3.17Å; M293-R296 PolarHBondContact O-N 2.91Å; C294-R296 VanDerWaalsContact C-N 3.35Å; C294-R296 PolarHBondContact O-N 3.13Å; R296-L300 VanDerWaalsContact O-CB 3.3Å; R296-L300 WeakPolarHBondContact O-CB 3.5Å; R296-L300 PolarHBondContact O-N 3.26Å
297	E	98.4	Very high	97.6	Very high	20 Å²	20	41.6 Å²	41.6	9%	0.093	19%	0.189	C	C	.	.	H	α-helix	trans	-68	-40.5	178.8	-172.2	64.1	-160.5	0	0	112	M293 C294 I295 L300 R301 I334 G336 I342 I345	M293-E297 WeakPolarHBondContact O-CB 3.46Å; M293-E297 PolarHBondContact O-N 3.09Å; C294-E297 PolarHBondContact O-N 2.95Å; I295-E297 VanDerWaalsContact C-N 3.32Å; I295-E297 PolarHBondContact O-N 3.47Å; E297-L300 PolarHBondContact O-N 3.17Å; E297-R301 PolarHBondContact O-N 3.46Å; E297-R301 WeakPolarHBondContact OE1-CD 3.38Å; E297-R301 IonicContact OE1-CZ 3.71Å; E297-R301 IonicContact OE1-NE 2.78Å; E297-R301 PolarHBondContact OE1-NE 3.3Å; E297-R301 IonicContact OE1-NH2 3.59Å; E297-I334 HydrophobicContact CB-CD1 4.02Å; E297-I334 HydrophobicContact CG-CD1 4.48Å; E297-G336 PolarHBondContact OE1-N 3.14Å; E297-G336 VanDerWaalsContact OE1-N 3.17Å; E297-I342 HydrophobicContact CG-CD1 4.37Å; E297-I345 HydrophobicContact CB-CG2 4.31Å; E297-I345 HydrophobicContact CG-CG1 4.35Å; E297-I345 HydrophobicContact CG-CG2 4.46Å
298	I	98.7	Very high	97.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.5	-41.7	176.1	-67.3	164.5	0	0	0	111.2	C294 I295 L300 G302 M303 L308 Y309 I342 I345 A346 L349	C294-I298 WeakPolarHBondContact O-CB 3.45Å; C294-I298 WeakPolarHBondContact O-CD1 3.46Å; C294-I298 WeakPolarHBondContact O-CG1 3.46Å; C294-I298 PolarHBondContact O-N 3.08Å; I295-I298 PolarHBondContact O-N 2.97Å; I298-L300 VanDerWaalsContact C-N 3.32Å; I298-L300 PolarHBondContact O-N 3.38Å; I298-G302 CarbonylContact O-C 3.57Å; I298-G302 WeakPolarHBondContact O-CA 3.32Å; I298-G302 PolarHBondContact O-N 3.19Å; I298-M303 PolarHBondContact O-N 3.4Å; I298-L308 HydrophobicContact CG2-CD1 4.11Å; I298-L308 HydrophobicContact CG2-CD2 3.9Å; I298-Y309 HydrophobicContact CD1-CE1 4.03Å; I298-Y309 VanDerWaalsContact CD1-OH 3.26Å; I298-Y309 WeakPolarHBondContact CD1-OH 3.48Å; I298-I342 HydrophobicContact CB-CD1 4.46Å; I298-I342 HydrophobicContact CG1-CD1 3.92Å; I298-I342 HydrophobicContact CG1-CG1 4.13Å; I298-I345 HydrophobicContact CD1-CG2 4.19Å; I298-I345 HydrophobicContact CG1-CB 4.31Å; I298-I345 HydrophobicContact CG1-CG2 3.97Å; I298-A346 HydrophobicContact CD1-CB 4.12Å; I298-L349 HydrophobicContact CD1-CD2 4.29Å
299	E	98.5	Very high	98	Very high	59 Å²	59	39.4 Å²	39.4	28%	0.276	18%	0.181	S	C	.	.	H	α-helix	trans	-67.8	-34.8	177	-72.1	-173.8	177.9	0	0	112.8	I295 R301 M303 H406 R409	I295-E299 HydrophobicContact CG2-CG 4.32Å; I295-E299 WeakPolarHBondContact O-CB 3.43Å; I295-E299 WeakPolarHBondContact O-CG 3.43Å; I295-E299 PolarHBondContact O-N 2.98Å; E299-R301 PolarHBondContact O-N 3.06Å; E299-M303 HydrophobicContact CB-SD 4.35Å; E299-M303 HydrophobicContact CG-SD 3.88Å; E299-M303 WeakPolarHBondContact O-CG 3.49Å; E299-H406 WeakPolarHBondContact CG-ND1 3.43Å; E299-H406 IonicContact OE1-CE1 3.94Å; E299-H406 IonicContact OE1-CG 3.4Å; E299-H406 IonicContact OE1-ND1 3.56Å; E299-H406 PolarHBondContact OE1-ND1 2.82Å; E299-R409 IonicContact OE1-CZ 3.78Å; E299-R409 IonicContact OE1-NE 3.75Å; E299-R409 PolarHBondContact OE1-NE 2.62Å; E299-R409 IonicContact OE1-NH2 3.53Å; E299-R409 PolarHBondContact OE1-NH2 2.87Å; E299-R409 IonicContact OE2-CZ 2.7Å; E299-R409 IonicContact OE2-NE 3.66Å; E299-R409 IonicContact OE2-NH2 3.27Å
300	L	97.9	Very high	98.1	Very high	132 Å²	132	45.1 Å²	45.1	69%	0.691	20%	0.203	S	C	*	.	H	α-helix	trans	-64.6	-40.5	-178.8	-177.8	62.2	0	0	0	112.7	R296 E297 I298	R296-L300 VanDerWaalsContact O-CB 3.3Å; R296-L300 WeakPolarHBondContact O-CB 3.5Å; R296-L300 PolarHBondContact O-N 3.26Å; E297-L300 PolarHBondContact O-N 3.17Å; I298-L300 VanDerWaalsContact C-N 3.32Å; I298-L300 PolarHBondContact O-N 3.38Å
301	R	97.3	Very high	98.1	Very high	88 Å²	88	48.2 Å²	48.2	33%	0.332	22%	0.221	S	C	.	.	H	α-helix	trans	-135.9	-11.7	-172.2	67.8	-176	176.7	95.2	-2.9	116.4	E297 E299 Y339 A340 I342	E297-R301 PolarHBondContact O-N 3.46Å; E297-R301 WeakPolarHBondContact OE1-CD 3.38Å; E297-R301 IonicContact OE1-CZ 3.71Å; E297-R301 IonicContact OE1-NE 2.78Å; E297-R301 PolarHBondContact OE1-NE 3.3Å; E297-R301 IonicContact OE1-NH2 3.59Å; E299-R301 PolarHBondContact O-N 3.06Å; R301-Y339 PolarHBondContact NH1-O 2.92Å; R301-Y339 PolarHBondContact NH2-O 3.13Å; R301-A340 PolarHBondContact NH1-O 3.06Å; R301-I342 HydrophobicContact CG-CD1 4.02Å; R301-I342 VanDerWaalsContact CZ-CD1 3.46Å
302	G	96.4	Very high	97.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-14.7	-168.4	0	0	0	0	0	116.7	I298 K304 S305	I298-G302 CarbonylContact O-C 3.57Å; I298-G302 WeakPolarHBondContact O-CA 3.32Å; I298-G302 PolarHBondContact O-N 3.19Å; G302-K304 PolarHBondContact O-N 3.32Å; G302-S305 VanDerWaalsContact O-CB 3.24Å; G302-S305 WeakPolarHBondContact O-CB 2.98Å; G302-S305 PolarHBondContact O-N 2.88Å
303	M	98.3	Very high	97.6	Very high	18 Å²	18	50.8 Å²	50.8	9%	0.089	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-26.4	-165.9	-64.2	-59.3	-74.9	0	0	115.3	I298 E299 R409 V410 F413 N417	I298-M303 PolarHBondContact O-N 3.4Å; E299-M303 HydrophobicContact CB-SD 4.35Å; E299-M303 HydrophobicContact CG-SD 3.88Å; E299-M303 WeakPolarHBondContact O-CG 3.49Å; M303-R409 HydrophobicContact CE-CB 3.9Å; M303-V410 HydrophobicContact CE-CB 4.39Å; M303-V410 HydrophobicContact CE-CG2 3.86Å; M303-V410 HydrophobicContact SD-CG2 4.03Å; M303-F413 HydrophobicContact CB-CD1 4.35Å; M303-F413 HydrophobicContact CB-CD2 4.15Å; M303-F413 HydrophobicContact CB-CE1 4.46Å; M303-F413 HydrophobicContact CB-CE2 4.28Å; M303-F413 HydrophobicContact CB-CG 4.19Å; M303-F413 HydrophobicContact CB-CZ 4.43Å; M303-F413 HydrophobicContact CE-CD2 3.74Å; M303-F413 HydrophobicContact CE-CE2 3.86Å; M303-F413 WeakPolarHBondContact O-CB 3.19Å; M303-N417 PolarHBondContact O-ND2 3.02Å
304	K	98.2	Very high	97.4	Very high	125 Å²	125	56.9 Å²	56.9	54%	0.543	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	1.6	179.4	-62.9	-177.8	-177.2	178.7	0	113.8	G302 E306 F413 Y416	G302-K304 PolarHBondContact O-N 3.32Å; K304-E306 PolarHBondContact O-N 3.02Å; K304-F413 HydrophobicContact CG-CD1 3.88Å; K304-F413 HydrophobicContact CG-CE1 4.41Å; K304-Y416 HydrophobicContact CB-CG 4.44Å; K304-Y416 HydrophobicContact CD-CD2 4.36Å; K304-Y416 HydrophobicContact CD-CG 4.31Å; K304-Y416 HydrophobicContact CG-CD2 4.22Å; K304-Y416 HydrophobicContact CG-CG 4.17Å
305	S	97.9	Very high	96.8	Very high	36 Å²	36	61.3 Å²	61.3	25%	0.252	30%	0.301	S	S	.	.	S	Bend	trans	-65.8	126.1	179.2	-174.2	0	0	0	0	110.2	G302 G307 L308 N417	G302-S305 VanDerWaalsContact O-CB 3.24Å; G302-S305 WeakPolarHBondContact O-CB 2.98Å; G302-S305 PolarHBondContact O-N 2.88Å; S305-G307 PolarHBondContact O-N 3.5Å; S305-L308 PolarHBondContact O-N 2.95Å; S305-N417 WeakPolarHBondContact O-CA 3.22Å; S305-N417 WeakPolarHBondContact O-CB 3.45Å
306	E	98.1	Very high	96.4	Very high	128 Å²	128	68.8 Å²	68.8	60%	0.598	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	131.4	179.2	-166.7	-177.4	149	0	0	111.2	K304 L308 L418	K304-E306 PolarHBondContact O-N 3.02Å; E306-L308 VanDerWaalsContact C-N 3.32Å; E306-L308 PolarHBondContact O-N 3.22Å; E306-L418 HydrophobicContact CG-CD1 3.76Å; E306-L418 HydrophobicContact CG-CG 4.18Å
307	G	97.4	Very high	96.3	Very high	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.5	28.3	179.4	0	0	0	0	0	114.5	S305 Y309 R310 V311 N417	S305-G307 PolarHBondContact O-N 3.5Å; G307-Y309 PolarHBondContact O-N 3.13Å; G307-R310 CarbonylContact O-C 3.55Å; G307-R310 WeakPolarHBondContact O-CA 3.48Å; G307-R310 WeakPolarHBondContact O-CB 3.5Å; G307-R310 PolarHBondContact O-N 3.3Å; G307-V311 PolarHBondContact O-N 3.49Å; G307-N417 PolarHBondContact N-O 3.26Å
308	L	98.4	Very high	96	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.5	134.1	177.2	-176.1	64.8	0	0	0	111.7	I298 S305 E306 R310 I342 A346 V410 M419	I298-L308 HydrophobicContact CG2-CD1 4.11Å; I298-L308 HydrophobicContact CG2-CD2 3.9Å; S305-L308 PolarHBondContact O-N 2.95Å; E306-L308 VanDerWaalsContact C-N 3.32Å; E306-L308 PolarHBondContact O-N 3.22Å; L308-R310 PolarHBondContact O-N 3.1Å; L308-I342 HydrophobicContact CD1-CG2 4.41Å; L308-A346 HydrophobicContact CD1-CB 4.31Å; L308-V410 HydrophobicContact CD2-CG1 4.03Å; L308-V410 HydrophobicContact CD2-CG2 3.97Å; L308-M419 WeakPolarHBondContact O-CE 3.31Å; L308-M419 WeakPolarHBondContact O-CG 3.27Å
309	Y	98.4	Very high	95.5	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.3	-25.2	-170.3	-63	-68.5	0	0	0	116.9	I298 G307 A346 L349 K350 H406 L407 V410 L424 V427 F428	I298-Y309 HydrophobicContact CD1-CE1 4.03Å; I298-Y309 VanDerWaalsContact CD1-OH 3.26Å; I298-Y309 WeakPolarHBondContact CD1-OH 3.48Å; G307-Y309 PolarHBondContact O-N 3.13Å; Y309-A346 HydrophobicContact CD1-CB 3.7Å; Y309-A346 HydrophobicContact CE1-CB 3.77Å; Y309-A346 HydrophobicContact CG-CB 4.48Å; Y309-L349 HydrophobicContact CE1-CD2 4.15Å; Y309-K350 HydrophobicContact CD1-CD 4.26Å; Y309-K350 HydrophobicContact CD1-CG 4.21Å; Y309-K350 PolarHBondContact O-NZ 3.13Å; Y309-H406 AromaticContact CE2-NE2 3.41Å; Y309-H406 WeakPolarHBondContact CE2-NE2 3.3Å; Y309-H406 AromaticContact CZ-CD2 3.98Å; Y309-H406 AromaticContact CZ-NE2 3.45Å; Y309-H406 PolarHBondContact OH-CD2 3.27Å; Y309-H406 PolarHBondContact OH-NE2 3.03Å; Y309-L407 HydrophobicContact CD2-CD2 3.96Å; Y309-L407 HydrophobicContact CE2-CD2 3.63Å; Y309-V410 HydrophobicContact CE2-CG2 4.29Å; Y309-L424 HydrophobicContact CD2-CD2 3.96Å; Y309-L424 HydrophobicContact CG-CD2 4.5Å; Y309-V427 WeakPolarHBondContact O-CG1 3.4Å; Y309-F428 AromaticContact CD1-CE2 3.81Å; Y309-F428 HydrophobicContact CD1-CE2 3.81Å; Y309-F428 AromaticContact CD1-CZ 3.64Å; Y309-F428 HydrophobicContact CD1-CZ 3.64Å; Y309-F428 AromaticContact CD2-CE2 3.99Å; Y309-F428 HydrophobicContact CD2-CE2 3.99Å; Y309-F428 HydrophobicContact CD2-CZ 4.44Å; Y309-F428 HydrophobicContact CE1-CE2 4.26Å; Y309-F428 AromaticContact CE1-CZ 3.77Å; Y309-F428 HydrophobicContact CE1-CZ 3.77Å; Y309-F428 HydrophobicContact CE2-CE2 4.41Å; Y309-F428 AromaticContact CG-CE2 3.67Å; Y309-F428 HydrophobicContact CG-CE2 3.67Å; Y309-F428 HydrophobicContact CG-CZ 4Å
310	R	97.7	Very high	95.1	Very high	128 Å²	128	69.5 Å²	69.5	48%	0.483	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-47	174.2	-176.9	179.2	68.9	-179.9	0.2	111.6	G307 L308 M419 V427	G307-R310 CarbonylContact O-C 3.55Å; G307-R310 WeakPolarHBondContact O-CA 3.48Å; G307-R310 WeakPolarHBondContact O-CB 3.5Å; G307-R310 PolarHBondContact O-N 3.3Å; L308-R310 PolarHBondContact O-N 3.1Å; R310-M419 HydrophobicContact CB-CE 3.88Å; R310-M419 HydrophobicContact CB-SD 3.93Å; R310-V427 HydrophobicContact CB-CG2 4.38Å
311	V	97.1	Very high	95	Very high	64 Å²	64	63.2 Å²	63.2	39%	0.388	32%	0.315	S	S	.	.	S	Bend	trans	-70.2	138.9	175.4	179.2	0	0	0	0	109	G307	G307-V311 PolarHBondContact O-N 3.49Å
312	S	92.8	Very high	94.6	Very high	88 Å²	88	61 Å²	61	62%	0.615	31%	0.307	S	S	*	.			trans	-102.1	131.7	177.7	-62	0	0	0	0	109.6
313	G	94.3	Very high	94.1	Very high	8 Å²	8	65.4 Å²	65.4	8%	0.082	33%	0.33	C	S	.	.			trans	-71.9	176.9	166.2	0	0	0	0	0	111.3	S315 D341 N343	G313-S315 PolarHBondContact O-N 3.29Å; G313-D341 WeakPolarHBondContact CA-OD2 3.47Å; G313-N343 PolarHBondContact N-O 3.09Å
314	F	94	Very high	93.7	Very high	147 Å²	147	64.8 Å²	64.8	65%	0.645	33%	0.328	S	S	*	.			trans	-60	126.1	176.5	-68.4	-76.8	0	0	0	111.5	E316 H317 I318	F314-E316 VanDerWaalsContact C-N 3.29Å; F314-E316 PolarHBondContact O-N 2.97Å; F314-H317 PolarHBondContact O-N 3.36Å; F314-I318 WeakPolarHBondContact O-CG1 3.44Å; F314-I318 PolarHBondContact O-N 2.74Å; F314-I318 VanDerWaalsContact O-N 3.09Å
315	S	86.5	Confident	93.5	Very high	93 Å²	93	58.8 Å²	58.8	65%	0.65	30%	0.302	S	S	*	.	H	α-helix	trans	-60.2	-37.1	-175.6	-55.9	0	0	0	0	113	G313 I318 E319	G313-S315 PolarHBondContact O-N 3.29Å; S315-I318 PolarHBondContact O-N 2.78Å; S315-E319 PolarHBondContact O-N 3.4Å
316	E	90.3	Very high	92.7	Very high	158 Å²	158	58.3 Å²	58.3	74%	0.738	30%	0.296	S	S	*	.	H	α-helix	trans	-59.6	-48.8	176.5	-65.6	179.4	179.9	0	0	111.3	F314 I318 E319 D320	F314-E316 VanDerWaalsContact C-N 3.29Å; F314-E316 PolarHBondContact O-N 2.97Å; E316-I318 VanDerWaalsContact C-N 3.31Å; E316-I318 PolarHBondContact O-N 2.84Å; E316-E319 PolarHBondContact O-N 2.86Å; E316-E319 VanDerWaalsContact O-N 3.16Å; E316-D320 PolarHBondContact O-N 2.94Å
317	H	94.9	Very high	92	Very high	77 Å²	77	60.6 Å²	60.6	36%	0.356	30%	0.299	S	S	.	.	H	α-helix	trans	-68.1	-28.5	177.8	-63.3	156.7	0	0	0	113.5	F314 E319 D320 V321 Y339 I344	F314-H317 PolarHBondContact O-N 3.36Å; H317-E319 VanDerWaalsContact C-N 3.35Å; H317-D320 IonicContact CD2-OD2 2.68Å; H317-D320 PolarHBondContact O-N 3.2Å; H317-V321 WeakPolarHBondContact O-CG2 3.35Å; H317-V321 PolarHBondContact O-N 3.27Å; H317-Y339 HydrophobicContact CB-CD1 4.29Å; H317-Y339 HydrophobicContact CB-CE1 4.32Å; H317-I344 HydrophobicContact CB-CD1 3.66Å; H317-I344 HydrophobicContact CB-CG1 4.02Å; H317-I344 HydrophobicContact CB-CG2 3.82Å
318	I	91.8	Very high	91.6	Very high	18 Å²	18	63.5 Å²	63.5	9%	0.092	32%	0.315	C	S	.	.	H	α-helix	trans	-65.2	-42.8	173.1	-68.6	167.7	0	0	0	110	F314 S315 E316 D320 V321 R322 I344 A348 L351	F314-I318 WeakPolarHBondContact O-CG1 3.44Å; F314-I318 PolarHBondContact O-N 2.74Å; F314-I318 VanDerWaalsContact O-N 3.09Å; S315-I318 PolarHBondContact O-N 2.78Å; E316-I318 VanDerWaalsContact C-N 3.31Å; E316-I318 PolarHBondContact O-N 2.84Å; I318-D320 VanDerWaalsContact C-N 3.35Å; I318-V321 PolarHBondContact O-N 3.12Å; I318-R322 PolarHBondContact O-N 3.46Å; I318-R322 VanDerWaalsContact O-N 3.1Å; I318-I344 HydrophobicContact CG1-CG2 4.18Å; I318-A348 HydrophobicContact CG2-CB 4.4Å; I318-L351 HydrophobicContact CG2-CB 4.35Å; I318-L351 HydrophobicContact CG2-CD2 3.79Å
319	E	88.3	Confident	91.2	Very high	78 Å²	78	64.1 Å²	64.1	36%	0.364	32%	0.321	S	S	.	.	H	α-helix	trans	-66.6	-35.9	174.4	-69	-60.9	145.6	0	0	111.8	S315 E316 H317 V321 R322 L323 L351	S315-E319 PolarHBondContact O-N 3.4Å; E316-E319 PolarHBondContact O-N 2.86Å; E316-E319 VanDerWaalsContact O-N 3.16Å; H317-E319 VanDerWaalsContact C-N 3.35Å; E319-V321 PolarHBondContact O-N 3.24Å; E319-R322 WeakPolarHBondContact O-CB 3.37Å; E319-R322 PolarHBondContact O-N 2.9Å; E319-R322 VanDerWaalsContact OE2-CD 3.26Å; E319-R322 WeakPolarHBondContact OE2-CD 3.41Å; E319-R322 IonicContact OE2-NH1 2.62Å; E319-L323 WeakPolarHBondContact O-CG 3.47Å; E319-L323 PolarHBondContact O-N 3.04Å; E319-L351 WeakPolarHBondContact OE1-CD2 3.49Å
320	D	90.9	Very high	90.8	Very high	73 Å²	73	69.9 Å²	69.9	39%	0.39	35%	0.348	S	S	.	.	H	α-helix	trans	-61.2	-42.7	174.2	-69	-27.5	0	0	0	112.1	E316 H317 I318 L323 A324 Y339	E316-D320 PolarHBondContact O-N 2.94Å; H317-D320 IonicContact CD2-OD2 2.68Å; H317-D320 PolarHBondContact O-N 3.2Å; I318-D320 VanDerWaalsContact C-N 3.35Å; D320-L323 PolarHBondContact O-N 3.39Å; D320-A324 WeakPolarHBondContact O-CB 3.46Å; D320-A324 PolarHBondContact O-N 2.84Å; D320-Y339 HydrophobicContact CB-CE1 4.4Å
321	V	95.3	Very high	90.6	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-62.4	-43.3	174.3	172.5	0	0	0	0	111.1	H317 I318 E319 L323 A324 F325 I334 Y339 I344 I345 A348	H317-V321 WeakPolarHBondContact O-CG2 3.35Å; H317-V321 PolarHBondContact O-N 3.27Å; I318-V321 PolarHBondContact O-N 3.12Å; E319-V321 PolarHBondContact O-N 3.24Å; V321-L323 PolarHBondContact O-N 3.46Å; V321-A324 WeakPolarHBondContact O-CB 3.27Å; V321-A324 PolarHBondContact O-N 3.45Å; V321-F325 HydrophobicContact CG1-CD2 3.83Å; V321-F325 HydrophobicContact CG1-CE2 3.63Å; V321-F325 VanDerWaalsContact O-CD2 3.28Å; V321-F325 WeakPolarHBondContact O-CD2 3.33Å; V321-F325 PolarHBondContact O-N 3.44Å; V321-I334 HydrophobicContact CG1-CG2 3.89Å; V321-Y339 HydrophobicContact CG2-CD1 4.1Å; V321-Y339 HydrophobicContact CG2-CD2 3.94Å; V321-Y339 HydrophobicContact CG2-CE1 3.75Å; V321-Y339 HydrophobicContact CG2-CE2 3.58Å; V321-Y339 HydrophobicContact CG2-CG 4.18Å; V321-Y339 VanDerWaalsContact CG2-CZ 3.47Å; V321-I344 HydrophobicContact CG2-CG2 3.86Å; V321-I345 HydrophobicContact CG2-CD1 4.11Å; V321-A348 HydrophobicContact CB-CB 3.93Å; V321-A348 HydrophobicContact CG1-CB 3.49Å; V321-A348 VanDerWaalsContact CG1-CB 3.49Å
322	R	89.5	Confident	90.5	Very high	42 Å²	42	69.8 Å²	69.8	16%	0.158	35%	0.347	C	S	.	.	H	α-helix	trans	-56.2	-50.1	174	162.6	-175.4	-171.8	152.1	16.2	111.2	Y272 S273 I318 E319 A324 F325 D326 L351 D355	Y272-R322 HydrophobicContact CD1-CB 4.2Å; Y272-R322 HydrophobicContact CD1-CG 3.74Å; Y272-R322 HydrophobicContact CD2-CB 4.25Å; Y272-R322 HydrophobicContact CD2-CG 3.81Å; Y272-R322 HydrophobicContact CE1-CB 3.98Å; Y272-R322 HydrophobicContact CE1-CG 4.06Å; Y272-R322 HydrophobicContact CE2-CB 4.08Å; Y272-R322 HydrophobicContact CE2-CG 4.16Å; Y272-R322 HydrophobicContact CG-CB 4.32Å; Y272-R322 HydrophobicContact CG-CG 3.6Å; S273-R322 PolarHBondContact OG-NH2 2.97Å; I318-R322 PolarHBondContact O-N 3.46Å; I318-R322 VanDerWaalsContact O-N 3.1Å; E319-R322 WeakPolarHBondContact O-CB 3.37Å; E319-R322 PolarHBondContact O-N 2.9Å; E319-R322 VanDerWaalsContact OE2-CD 3.26Å; E319-R322 WeakPolarHBondContact OE2-CD 3.41Å; E319-R322 IonicContact OE2-NH1 2.62Å; R322-A324 VanDerWaalsContact C-N 3.28Å; R322-A324 PolarHBondContact O-N 3.23Å; R322-F325 PolarHBondContact O-N 3.47Å; R322-D326 PolarHBondContact O-N 3.1Å; R322-L351 HydrophobicContact CB-CD2 4.31Å; R322-D355 IonicContact CZ-OD2 2.63Å; R322-D355 IonicContact NH1-OD2 3.09Å; R322-D355 PolarHBondContact NH1-OD2 3.08Å; R322-D355 IonicContact NH2-OD2 3.03Å; R322-D355 PolarHBondContact NH2-OD2 2.91Å; R322-D355 VanDerWaalsContact NH2-OD2 3.08Å
323	L	85.1	Confident	90.6	Very high	92 Å²	92	70 Å²	70	48%	0.482	34%	0.341	S	S	.	.	H	α-helix	trans	-64.3	-35.4	-179	-70.1	174.7	0	0	0	111.7	E319 D320 V321 D326 R327	E319-L323 WeakPolarHBondContact O-CG 3.47Å; E319-L323 PolarHBondContact O-N 3.04Å; D320-L323 PolarHBondContact O-N 3.39Å; V321-L323 PolarHBondContact O-N 3.46Å; L323-D326 PolarHBondContact O-N 2.88Å; L323-R327 VanDerWaalsContact O-CB 3.3Å; L323-R327 WeakPolarHBondContact O-CB 3.44Å; L323-R327 PolarHBondContact O-N 3.1Å
324	A	91.4	Very high	90.8	Very high	5 Å²	5	70 Å²	70	4%	0.041	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-45	173.2	0	0	0	0	0	111.3	D320 V321 R322 R327 D328 A332	D320-A324 WeakPolarHBondContact O-CB 3.46Å; D320-A324 PolarHBondContact O-N 2.84Å; V321-A324 WeakPolarHBondContact O-CB 3.27Å; V321-A324 PolarHBondContact O-N 3.45Å; R322-A324 VanDerWaalsContact C-N 3.28Å; R322-A324 PolarHBondContact O-N 3.23Å; A324-R327 PolarHBondContact O-N 2.83Å; A324-D328 WeakPolarHBondContact O-CB 3.12Å; A324-D328 PolarHBondContact O-N 3.05Å; A324-A332 HydrophobicContact CB-CB 4.07Å
325	F	92.5	Very high	90.8	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-64.7	-43.4	174.2	-80.3	-64.4	0	0	0	113	V271 Y272 V290 M293 V321 R322 R327 G329 A332 I334	V271-F325 VanDerWaalsContact CG2-O 3.26Å; V271-F325 WeakPolarHBondContact CG2-O 3.45Å; Y272-F325 HydrophobicContact CD2-CB 4.23Å; Y272-F325 HydrophobicContact CE2-CB 3.87Å; Y272-F325 AromaticContact CE2-CD2 3.96Å; Y272-F325 HydrophobicContact CE2-CD2 3.96Å; Y272-F325 HydrophobicContact CE2-CG 4.25Å; V290-F325 HydrophobicContact CB-CE1 4.47Å; V290-F325 HydrophobicContact CB-CZ 4.45Å; V290-F325 HydrophobicContact CG1-CD2 4.12Å; V290-F325 HydrophobicContact CG1-CE2 3.93Å; V290-F325 HydrophobicContact CG1-CZ 4.22Å; V290-F325 HydrophobicContact CG2-CB 4.2Å; V290-F325 HydrophobicContact CG2-CD1 3.82Å; V290-F325 HydrophobicContact CG2-CD2 4.19Å; V290-F325 HydrophobicContact CG2-CE1 4.17Å; V290-F325 HydrophobicContact CG2-CG 3.82Å; M293-F325 HydrophobicContact CB-CE1 4.21Å; M293-F325 HydrophobicContact CB-CZ 4.08Å; M293-F325 HydrophobicContact CE-CE1 3.98Å; M293-F325 HydrophobicContact CE-CZ 4.44Å; M293-F325 HydrophobicContact SD-CE1 3.77Å; V321-F325 HydrophobicContact CG1-CD2 3.83Å; V321-F325 HydrophobicContact CG1-CE2 3.63Å; V321-F325 VanDerWaalsContact O-CD2 3.28Å; V321-F325 WeakPolarHBondContact O-CD2 3.33Å; V321-F325 PolarHBondContact O-N 3.44Å; R322-F325 PolarHBondContact O-N 3.47Å; F325-R327 PolarHBondContact O-N 3.24Å; F325-G329 VanDerWaalsContact O-CA 3.27Å; F325-G329 WeakPolarHBondContact O-CA 3.44Å; F325-G329 PolarHBondContact O-N 3.33Å; F325-A332 HydrophobicContact CD1-CB 3.84Å; F325-A332 HydrophobicContact CE1-CB 4.09Å; F325-A332 HydrophobicContact CG-CB 4.24Å; F325-I334 HydrophobicContact CE2-CG2 3.93Å; F325-I334 HydrophobicContact CZ-CD1 4.24Å; F325-I334 HydrophobicContact CZ-CG2 3.96Å
326	D	82.3	Confident	91.1	Very high	25 Å²	25	61.5 Å²	61.5	13%	0.134	30%	0.303	C	S	.	.	H	α-helix	trans	-61.3	-33.9	178.3	-83.2	-8.5	0	0	0	112.5	V271 Y272 R322 L323	V271-D326 WeakPolarHBondContact CA-OD1 3.46Å; V271-D326 PolarHBondContact N-OD1 2.99Å; Y272-D326 PolarHBondContact N-OD1 3.35Å; R322-D326 PolarHBondContact O-N 3.1Å; L323-D326 PolarHBondContact O-N 2.88Å
327	R	83.4	Confident	91.3	Very high	176 Å²	176	59.4 Å²	59.4	66%	0.664	31%	0.306	S	S	*	.	H	α-helix	trans	-86.7	-49.4	-178.8	-174.8	-174.2	61	-128.6	-3.9	113	L323 A324 F325	L323-R327 VanDerWaalsContact O-CB 3.3Å; L323-R327 WeakPolarHBondContact O-CB 3.44Å; L323-R327 PolarHBondContact O-N 3.1Å; A324-R327 PolarHBondContact O-N 2.83Å; F325-R327 PolarHBondContact O-N 3.24Å
328	D	88.8	Confident	91.3	Very high	62 Å²	62	58 Å²	58	33%	0.332	31%	0.308	S	S	.	.	H	α-helix	trans	-107.4	-11.6	-165.4	-56.2	-39	0	0	0	113.1	A324 E330 K331 A332	A324-D328 WeakPolarHBondContact O-CB 3.12Å; A324-D328 PolarHBondContact O-N 3.05Å; D328-E330 PolarHBondContact O-N 3.15Å; D328-K331 HydrophobicContact CB-CB 4.28Å; D328-K331 WeakPolarHBondContact O-CB 3.31Å; D328-K331 PolarHBondContact O-N 2.91Å; D328-A332 HydrophobicContact CB-CB 4.4Å
329	G	89.3	Confident	91.5	Very high	12 Å²	12	58.7 Å²	58.7	12%	0.124	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	56.6	-125.3	-179.3	0	0	0	0	0	112	F325 K331 A332	F325-G329 VanDerWaalsContact O-CA 3.27Å; F325-G329 WeakPolarHBondContact O-CA 3.44Å; F325-G329 PolarHBondContact O-N 3.33Å; G329-K331 PolarHBondContact O-N 3.23Å; G329-K331 VanDerWaalsContact O-N 3.11Å; G329-A332 WeakPolarHBondContact O-CB 3.41Å; G329-A332 PolarHBondContact O-N 3.08Å; G329-A332 VanDerWaalsContact O-N 3.15Å
330	E	91.3	Very high	91.9	Very high	121 Å²	121	59.2 Å²	59.2	57%	0.565	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-62.1	-15.3	177.5	-70.6	179.2	-177.3	0	0	114.3	M289 D328	M289-E330 HydrophobicContact CB-CG 3.67Å; M289-E330 HydrophobicContact CG-CG 3.98Å; D328-E330 PolarHBondContact O-N 3.15Å
331	K	92.9	Very high	92.2	Very high	185 Å²	185	58.1 Å²	58.1	80%	0.804	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-91.9	1.7	179	-60	-179.8	-178.2	177.6	0	113.4	D328 G329 D333	D328-K331 HydrophobicContact CB-CB 4.28Å; D328-K331 WeakPolarHBondContact O-CB 3.31Å; D328-K331 PolarHBondContact O-N 2.91Å; G329-K331 PolarHBondContact O-N 3.23Å; G329-K331 VanDerWaalsContact O-N 3.11Å; K331-D333 PolarHBondContact O-N 3.12Å
332	A	94.9	Very high	92.3	Very high	6 Å²	6	58.6 Å²	58.6	5%	0.05	32%	0.324	C	S	.	.			trans	-59.8	128	177.6	0	0	0	0	0	110.8	M293 A324 F325 D328 G329 I334	M293-A332 HydrophobicContact CE-CB 4.5Å; M293-A332 WeakPolarHBondContact CE-O 3.4Å; A324-A332 HydrophobicContact CB-CB 4.07Å; F325-A332 HydrophobicContact CD1-CB 3.84Å; F325-A332 HydrophobicContact CE1-CB 4.09Å; F325-A332 HydrophobicContact CG-CB 4.24Å; D328-A332 HydrophobicContact CB-CB 4.4Å; G329-A332 WeakPolarHBondContact O-CB 3.41Å; G329-A332 PolarHBondContact O-N 3.08Å; G329-A332 VanDerWaalsContact O-N 3.15Å; A332-I334 PolarHBondContact O-N 3.36Å
333	D	95.6	Very high	92.8	Very high	91 Å²	91	57.2 Å²	57.2	49%	0.487	32%	0.319	S	S	.	.			trans	-82.4	113.5	173.4	-175.4	7.3	0	0	0	109.5	K331 S335 Y339	K331-D333 PolarHBondContact O-N 3.12Å; D333-S335 WeakPolarHBondContact OD1-CB 3.43Å; D333-S335 PolarHBondContact OD1-N 2.97Å; D333-S335 PolarHBondContact OD1-OG 3.43Å; D333-Y339 WeakPolarHBondContact O-CE2 3.43Å
334	I	96.9	Very high	93.4	Very high	8 Å²	8	53 Å²	53	4%	0.041	30%	0.297	C	S	.	.			trans	-120.6	17.1	175.5	62.4	162.1	0	0	0	112	M293 E297 V321 F325 A332 I345	M293-I334 HydrophobicContact CB-CD1 3.77Å; M293-I334 HydrophobicContact CE-CG1 4.46Å; M293-I334 WeakPolarHBondContact O-CD1 3.29Å; E297-I334 HydrophobicContact CB-CD1 4.02Å; E297-I334 HydrophobicContact CG-CD1 4.48Å; V321-I334 HydrophobicContact CG1-CG2 3.89Å; F325-I334 HydrophobicContact CE2-CG2 3.93Å; F325-I334 HydrophobicContact CZ-CD1 4.24Å; F325-I334 HydrophobicContact CZ-CG2 3.96Å; A332-I334 PolarHBondContact O-N 3.36Å; I334-I345 HydrophobicContact CB-CD1 3.98Å; I334-I345 HydrophobicContact CD1-CG2 4.45Å
335	S	95.3	Very high	93.7	Very high	30 Å²	30	52.8 Å²	52.8	21%	0.21	30%	0.295	C	S	.	.	S	Bend	trans	-63.9	160	-175.4	63.5	0	0	0	0	112.7	D333 S337 A338 Y339	D333-S335 WeakPolarHBondContact OD1-CB 3.43Å; D333-S335 PolarHBondContact OD1-N 2.97Å; D333-S335 PolarHBondContact OD1-OG 3.43Å; S335-S337 PolarHBondContact O-N 3.18Å; S335-S337 VanDerWaalsContact O-N 3.12Å; S335-S337 PolarHBondContact OG-OG 3.41Å; S335-A338 PolarHBondContact O-N 3.36Å; S335-Y339 PolarHBondContact O-N 2.91Å
336	G	93.3	Very high	94	Very high	32 Å²	32	52.8 Å²	52.8	33%	0.33	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-22.3	172.4	0	0	0	0	0	115.1	E297 Y339 A340	E297-G336 PolarHBondContact OE1-N 3.14Å; E297-G336 VanDerWaalsContact OE1-N 3.17Å; G336-Y339 CarbonylContact O-C 3.57Å; G336-A340 WeakPolarHBondContact O-CA 3.18Å; G336-A340 PolarHBondContact O-N 3.36Å
337	S	93.8	Very high	94.7	Very high	114 Å²	114	51.9 Å²	51.9	80%	0.797	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-34.9	172.8	39	0	0	0	0	113.2	S335	S335-S337 PolarHBondContact O-N 3.18Å; S335-S337 VanDerWaalsContact O-N 3.12Å; S335-S337 PolarHBondContact OG-OG 3.41Å
338	A	94.7	Very high	95.4	Very high	48 Å²	48	43.5 Å²	43.5	40%	0.397	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-43.2	175.4	0	0	0	0	0	111.1	S335	S335-A338 PolarHBondContact O-N 3.36Å
339	Y	96.6	Very high	95.9	Very high	33 Å²	33	40.5 Å²	40.5	13%	0.129	24%	0.244	C	C	.	.			trans	-131.7	93	-176.7	-55.3	-80.3	0	0	0	111.3	R301 H317 D320 V321 D333 S335 G336 D341 I344 I345	R301-Y339 PolarHBondContact NH1-O 2.92Å; R301-Y339 PolarHBondContact NH2-O 3.13Å; H317-Y339 HydrophobicContact CB-CD1 4.29Å; H317-Y339 HydrophobicContact CB-CE1 4.32Å; D320-Y339 HydrophobicContact CB-CE1 4.4Å; V321-Y339 HydrophobicContact CG2-CD1 4.1Å; V321-Y339 HydrophobicContact CG2-CD2 3.94Å; V321-Y339 HydrophobicContact CG2-CE1 3.75Å; V321-Y339 HydrophobicContact CG2-CE2 3.58Å; V321-Y339 HydrophobicContact CG2-CG 4.18Å; V321-Y339 VanDerWaalsContact CG2-CZ 3.47Å; D333-Y339 WeakPolarHBondContact O-CE2 3.43Å; S335-Y339 PolarHBondContact O-N 2.91Å; G336-Y339 CarbonylContact O-C 3.57Å; Y339-D341 PolarHBondContact O-N 3.49Å; Y339-I344 HydrophobicContact CD1-CD1 4.25Å; Y339-I344 HydrophobicContact CD1-CG2 4.01Å; Y339-I344 HydrophobicContact CG-CG2 4.41Å; Y339-I345 HydrophobicContact CD2-CD1 4.25Å; Y339-I345 HydrophobicContact CG-CD1 4.36Å
340	A	95.9	Very high	96.3	Very high	88 Å²	88	41.2 Å²	41.2	73%	0.727	24%	0.244	S	C	*	.			trans	-62.6	-41.3	-178.4	0	0	0	0	0	112.9	R301 G336 I342	R301-A340 PolarHBondContact NH1-O 3.06Å; G336-A340 WeakPolarHBondContact O-CA 3.18Å; G336-A340 PolarHBondContact O-N 3.36Å; A340-I342 PolarHBondContact O-N 3.05Å
341	D	97.3	Very high	96.3	Very high	51 Å²	51	35.7 Å²	35.7	27%	0.273	22%	0.218	S	C	.	.			trans	-76.7	116.9	177.7	176	19.1	0	0	0	111.3	G313 Y339 N343 I344	G313-D341 WeakPolarHBondContact CA-OD2 3.47Å; Y339-D341 PolarHBondContact O-N 3.49Å; D341-N343 PolarHBondContact O-N 3.27Å; D341-N343 WeakPolarHBondContact OD1-CB 3.43Å; D341-N343 PolarHBondContact OD1-N 3.44Å; D341-N343 PolarHBondContact OD1-ND2 2.82Å; D341-I344 HydrophobicContact CB-CD1 3.86Å; D341-I344 HydrophobicContact CB-CG1 4.11Å; D341-I344 WeakPolarHBondContact O-CB 3.5Å; D341-I344 PolarHBondContact O-N 2.94Å
342	I	98.2	Very high	96.4	Very high	10 Å²	10	26.9 Å²	26.9	5%	0.051	18%	0.18	C	C	.	.	H	α-helix	trans	-69.1	-21.9	-179.9	-165.4	62.3	0	0	0	112.9	E297 I298 R301 L308 A340 I344 I345 A346	E297-I342 HydrophobicContact CG-CD1 4.37Å; I298-I342 HydrophobicContact CB-CD1 4.46Å; I298-I342 HydrophobicContact CG1-CD1 3.92Å; I298-I342 HydrophobicContact CG1-CG1 4.13Å; R301-I342 HydrophobicContact CG-CD1 4.02Å; R301-I342 VanDerWaalsContact CZ-CD1 3.46Å; L308-I342 HydrophobicContact CD1-CG2 4.41Å; A340-I342 PolarHBondContact O-N 3.05Å; I342-I344 PolarHBondContact O-N 3.38Å; I342-I345 HydrophobicContact CD1-CB 4Å; I342-I345 HydrophobicContact CD1-CG1 4.03Å; I342-I345 PolarHBondContact O-N 2.97Å; I342-A346 PolarHBondContact O-N 3.35Å
343	N	98.3	Very high	96.3	Very high	13 Å²	13	26.7 Å²	26.7	7%	0.07	18%	0.178	C	C	.	.	H	α-helix	trans	-66.5	-17.8	177.4	-59	-61.7	0	0	0	112.1	G313 D341 G347	G313-N343 PolarHBondContact N-O 3.09Å; D341-N343 PolarHBondContact O-N 3.27Å; D341-N343 WeakPolarHBondContact OD1-CB 3.43Å; D341-N343 PolarHBondContact OD1-N 3.44Å; D341-N343 PolarHBondContact OD1-ND2 2.82Å; N343-G347 WeakPolarHBondContact O-CA 3.48Å; N343-G347 PolarHBondContact O-N 3.29Å
344	I	98.2	Very high	96	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	18%	0.179	C	C	.	.	H	α-helix	trans	-66.1	-49.6	168.7	-61.1	166.9	0	0	0	109.8	H317 I318 V321 Y339 D341 I342 G347 A348	H317-I344 HydrophobicContact CB-CD1 3.66Å; H317-I344 HydrophobicContact CB-CG1 4.02Å; H317-I344 HydrophobicContact CB-CG2 3.82Å; I318-I344 HydrophobicContact CG1-CG2 4.18Å; V321-I344 HydrophobicContact CG2-CG2 3.86Å; Y339-I344 HydrophobicContact CD1-CD1 4.25Å; Y339-I344 HydrophobicContact CD1-CG2 4.01Å; Y339-I344 HydrophobicContact CG-CG2 4.41Å; D341-I344 HydrophobicContact CB-CD1 3.86Å; D341-I344 HydrophobicContact CB-CG1 4.11Å; D341-I344 WeakPolarHBondContact O-CB 3.5Å; D341-I344 PolarHBondContact O-N 2.94Å; I342-I344 PolarHBondContact O-N 3.38Å; I344-G347 CarbonylContact O-C 3.58Å; I344-G347 WeakPolarHBondContact O-CA 3.45Å; I344-G347 PolarHBondContact O-N 3.4Å; I344-A348 WeakPolarHBondContact O-CB 3.2Å; I344-A348 PolarHBondContact O-N 3.03Å
345	I	98.6	Very high	95.4	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-67.8	-42.4	-179.6	-50.7	-50.1	0	0	0	110.9	C294 E297 I298 V321 I334 Y339 I342 G347 A348 L349	C294-I345 HydrophobicContact CB-CG2 3.83Å; E297-I345 HydrophobicContact CB-CG2 4.31Å; E297-I345 HydrophobicContact CG-CG1 4.35Å; E297-I345 HydrophobicContact CG-CG2 4.46Å; I298-I345 HydrophobicContact CD1-CG2 4.19Å; I298-I345 HydrophobicContact CG1-CB 4.31Å; I298-I345 HydrophobicContact CG1-CG2 3.97Å; V321-I345 HydrophobicContact CG2-CD1 4.11Å; I334-I345 HydrophobicContact CB-CD1 3.98Å; I334-I345 HydrophobicContact CD1-CG2 4.45Å; Y339-I345 HydrophobicContact CD2-CD1 4.25Å; Y339-I345 HydrophobicContact CG-CD1 4.36Å; I342-I345 HydrophobicContact CD1-CB 4Å; I342-I345 HydrophobicContact CD1-CG1 4.03Å; I342-I345 PolarHBondContact O-N 2.97Å; I345-G347 VanDerWaalsContact C-N 3.29Å; I345-G347 PolarHBondContact O-N 2.86Å; I345-A348 PolarHBondContact O-N 3.01Å; I345-L349 PolarHBondContact O-N 2.84Å
346	A	98.6	Very high	94.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-39.1	172.9	0	0	0	0	0	111.8	I298 L308 Y309 I342 K350	I298-A346 HydrophobicContact CD1-CB 4.12Å; L308-A346 HydrophobicContact CD1-CB 4.31Å; Y309-A346 HydrophobicContact CD1-CB 3.7Å; Y309-A346 HydrophobicContact CE1-CB 3.77Å; Y309-A346 HydrophobicContact CG-CB 4.48Å; I342-A346 PolarHBondContact O-N 3.35Å; A346-K350 WeakPolarHBondContact O-CE 3.24Å; A346-K350 WeakPolarHBondContact O-CG 3.46Å; A346-K350 PolarHBondContact O-N 3.48Å; A346-K350 VanDerWaalsContact O-N 3.13Å
347	G	97.6	Very high	94	Very high	5 Å²	5	31 Å²	31	5%	0.052	19%	0.185	C	C	.	.	H	α-helix	trans	-62.6	-46.4	173	0	0	0	0	0	112.8	N343 I344 I345 L349 K350 L351	N343-G347 WeakPolarHBondContact O-CA 3.48Å; N343-G347 PolarHBondContact O-N 3.29Å; I344-G347 CarbonylContact O-C 3.58Å; I344-G347 WeakPolarHBondContact O-CA 3.45Å; I344-G347 PolarHBondContact O-N 3.4Å; I345-G347 VanDerWaalsContact C-N 3.29Å; I345-G347 PolarHBondContact O-N 2.86Å; G347-L349 PolarHBondContact O-N 3.29Å; G347-K350 PolarHBondContact O-N 2.92Å; G347-L351 WeakPolarHBondContact O-CB 3.23Å; G347-L351 PolarHBondContact O-N 3.09Å
348	A	97.6	Very high	93.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.9	-39.7	179.1	0	0	0	0	0	112.4	Y272 I318 V321 I344 I345 L351 Y352	Y272-A348 PolarHBondContact OH-O 3Å; I318-A348 HydrophobicContact CG2-CB 4.4Å; V321-A348 HydrophobicContact CB-CB 3.93Å; V321-A348 HydrophobicContact CG1-CB 3.49Å; V321-A348 VanDerWaalsContact CG1-CB 3.49Å; I344-A348 WeakPolarHBondContact O-CB 3.2Å; I344-A348 PolarHBondContact O-N 3.03Å; I345-A348 PolarHBondContact O-N 3.01Å; A348-L351 PolarHBondContact O-N 3.15Å; A348-Y352 WeakPolarHBondContact O-CB 3.48Å; A348-Y352 PolarHBondContact O-N 3.41Å
349	L	98.6	Very high	93.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62.7	-47.4	173	179.4	58.1	0	0	0	111.7	V291 C294 I295 I298 Y309 I345 G347 L351 Y352 L353 L403	V291-L349 HydrophobicContact CB-CD1 4.49Å; V291-L349 HydrophobicContact CG2-CD1 4.21Å; C294-L349 HydrophobicContact CB-CB 3.91Å; C294-L349 HydrophobicContact CB-CD1 4.27Å; C294-L349 HydrophobicContact CB-CD2 4.33Å; C294-L349 HydrophobicContact CB-CG 4.4Å; I295-L349 HydrophobicContact CD1-CD2 4.46Å; I295-L349 HydrophobicContact CG1-CD2 3.79Å; I298-L349 HydrophobicContact CD1-CD2 4.29Å; Y309-L349 HydrophobicContact CE1-CD2 4.15Å; I345-L349 PolarHBondContact O-N 2.84Å; G347-L349 PolarHBondContact O-N 3.29Å; L349-L351 VanDerWaalsContact C-N 3.32Å; L349-L351 PolarHBondContact O-N 3.24Å; L349-Y352 WeakPolarHBondContact O-CB 3.27Å; L349-Y352 PolarHBondContact O-N 3.44Å; L349-L353 HydrophobicContact CD1-CD1 4.3Å; L349-L353 HydrophobicContact CD1-CG 4.47Å; L349-L353 HydrophobicContact CG-CD1 4.31Å; L349-L353 WeakPolarHBondContact O-CG 3.28Å; L349-L353 PolarHBondContact O-N 2.97Å; L349-L403 HydrophobicContact CD2-CD1 4.41Å
350	K	97.5	Very high	93	Very high	26 Å²	26	25 Å²	25	11%	0.113	14%	0.139	C	C	.	.	H	α-helix	trans	-60.2	-43.3	175.8	-72.1	-179.3	-61.6	174.7	0	111.6	Y309 A346 G347 Y352 L353 R354 V427 F428	Y309-K350 HydrophobicContact CD1-CD 4.26Å; Y309-K350 HydrophobicContact CD1-CG 4.21Å; Y309-K350 PolarHBondContact O-NZ 3.13Å; A346-K350 WeakPolarHBondContact O-CE 3.24Å; A346-K350 WeakPolarHBondContact O-CG 3.46Å; A346-K350 PolarHBondContact O-N 3.48Å; A346-K350 VanDerWaalsContact O-N 3.13Å; G347-K350 PolarHBondContact O-N 2.92Å; K350-Y352 VanDerWaalsContact C-N 3.33Å; K350-Y352 PolarHBondContact O-N 3.38Å; K350-L353 PolarHBondContact O-N 3.41Å; K350-R354 WeakPolarHBondContact O-CB 3.16Å; K350-R354 PolarHBondContact O-N 2.94Å; K350-V427 HydrophobicContact CD-CG1 3.63Å; K350-F428 HydrophobicContact CG-CE1 4.19Å; K350-F428 HydrophobicContact CG-CZ 4.12Å
351	L	91.3	Very high	92.8	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.031	10%	0.104	C	C	.	.	H	α-helix	trans	-60.4	-43.6	177.3	177.4	64.7	0	0	0	111	Y272 I318 E319 R322 G347 A348 L349 L353 R354 D355	Y272-L351 HydrophobicContact CD1-CG 4.32Å; Y272-L351 HydrophobicContact CE1-CB 4.25Å; Y272-L351 HydrophobicContact CE1-CD2 4.15Å; Y272-L351 HydrophobicContact CE1-CG 3.92Å; I318-L351 HydrophobicContact CG2-CB 4.35Å; I318-L351 HydrophobicContact CG2-CD2 3.79Å; E319-L351 WeakPolarHBondContact OE1-CD2 3.49Å; R322-L351 HydrophobicContact CB-CD2 4.31Å; G347-L351 WeakPolarHBondContact O-CB 3.23Å; G347-L351 PolarHBondContact O-N 3.09Å; A348-L351 PolarHBondContact O-N 3.15Å; L349-L351 VanDerWaalsContact C-N 3.32Å; L349-L351 PolarHBondContact O-N 3.24Å; L351-L353 PolarHBondContact O-N 2.96Å; L351-R354 PolarHBondContact O-N 2.92Å; L351-D355 WeakPolarHBondContact CD1-OD1 3.41Å; L351-D355 VanDerWaalsContact O-CB 3.31Å; L351-D355 WeakPolarHBondContact O-CB 3.45Å; L351-D355 PolarHBondContact O-N 2.86Å
352	Y	94.8	Very high	92.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-57.4	-50.1	178.6	174.8	-102.3	0	0	0	111.7	V271 Y272 L279 P288 V290 V291 A348 L349 K350 R354 D355 L356	V271-Y352 HydrophobicContact CG1-CE2 4.32Å; Y272-Y352 HydrophobicContact CD1-CD2 4.2Å; Y272-Y352 HydrophobicContact CD2-CD2 4.1Å; Y272-Y352 HydrophobicContact CE1-CD2 4.21Å; Y272-Y352 HydrophobicContact CE1-CG 4.42Å; Y272-Y352 HydrophobicContact CE2-CD2 4.08Å; Y272-Y352 HydrophobicContact CG-CD2 4.14Å; L279-Y352 HydrophobicContact CD2-CE2 4.44Å; L279-Y352 WeakPolarHBondContact CD2-OH 3.46Å; P288-Y352 HydrophobicContact CB-CE1 3.99Å; P288-Y352 VanDerWaalsContact CB-OH 3.24Å; P288-Y352 WeakPolarHBondContact CB-OH 3.34Å; P288-Y352 HydrophobicContact CG-CE1 3.93Å; P288-Y352 WeakPolarHBondContact CG-OH 3.39Å; V290-Y352 HydrophobicContact CB-CD1 4.27Å; V290-Y352 HydrophobicContact CB-CD2 3.96Å; V290-Y352 HydrophobicContact CB-CE2 4.23Å; V290-Y352 HydrophobicContact CB-CG 4Å; V290-Y352 HydrophobicContact CG1-CD1 4.24Å; V290-Y352 HydrophobicContact CG1-CD2 3.95Å; V290-Y352 HydrophobicContact CG1-CG 3.71Å; V290-Y352 HydrophobicContact CG2-CD2 3.89Å; V290-Y352 HydrophobicContact CG2-CE2 3.99Å; V290-Y352 HydrophobicContact CG2-CG 4.43Å; V291-Y352 HydrophobicContact CG2-CD1 3.96Å; V291-Y352 HydrophobicContact CG2-CE1 3.76Å; A348-Y352 WeakPolarHBondContact O-CB 3.48Å; A348-Y352 PolarHBondContact O-N 3.41Å; L349-Y352 WeakPolarHBondContact O-CB 3.27Å; L349-Y352 PolarHBondContact O-N 3.44Å; K350-Y352 VanDerWaalsContact C-N 3.33Å; K350-Y352 PolarHBondContact O-N 3.38Å; Y352-R354 VanDerWaalsContact C-N 3.32Å; Y352-R354 PolarHBondContact O-N 3.13Å; Y352-D355 PolarHBondContact O-N 3.09Å; Y352-L356 HydrophobicContact CE1-CD2 4.28Å; Y352-L356 HydrophobicContact CE2-CD2 4.43Å; Y352-L356 PolarHBondContact O-N 3.33Å
353	L	92.7	Very high	91.6	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-65.7	-36.9	-178.3	-60.4	167.4	0	0	0	111.8	V291 L349 K350 L351 V360 T399 L403 F428 T431 L432	V291-L353 HydrophobicContact CG2-CD2 4.38Å; L349-L353 HydrophobicContact CD1-CD1 4.3Å; L349-L353 HydrophobicContact CD1-CG 4.47Å; L349-L353 HydrophobicContact CG-CD1 4.31Å; L349-L353 WeakPolarHBondContact O-CG 3.28Å; L349-L353 PolarHBondContact O-N 2.97Å; K350-L353 PolarHBondContact O-N 3.41Å; L351-L353 PolarHBondContact O-N 2.96Å; L353-V360 HydrophobicContact CD2-CG2 3.77Å; L353-T399 HydrophobicContact CD2-CG2 4.38Å; L353-L403 HydrophobicContact CD1-CD2 3.81Å; L353-F428 HydrophobicContact CD1-CD1 4.47Å; L353-F428 HydrophobicContact CD1-CE1 3.93Å; L353-T431 HydrophobicContact CB-CG2 3.91Å; L353-L432 HydrophobicContact CB-CD2 4.43Å; L353-L432 HydrophobicContact CD1-CD2 4.06Å
354	R	90.1	Very high	90.8	Very high	135 Å²	135	27.5 Å²	27.5	51%	0.509	14%	0.138	S	C	.	.	H	α-helix	trans	-70.3	-35.7	177.9	-175.9	176.3	65	-159.3	2.1	113.1	K350 L351 Y352 L356 T431	K350-R354 WeakPolarHBondContact O-CB 3.16Å; K350-R354 PolarHBondContact O-N 2.94Å; L351-R354 PolarHBondContact O-N 2.92Å; Y352-R354 VanDerWaalsContact C-N 3.32Å; Y352-R354 PolarHBondContact O-N 3.13Å; R354-L356 VanDerWaalsContact C-N 3.27Å; R354-L356 PolarHBondContact O-N 3.35Å; R354-T431 HydrophobicContact CB-CG2 4.39Å
355	D	83.8	Confident	90.4	Very high	40 Å²	40	27.9 Å²	27.9	21%	0.214	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-1.9	-175.7	-82.6	19.3	0	0	0	113.3	S273 R322 L351 Y352	S273-D355 VanDerWaalsContact CA-O 3.3Å; S273-D355 WeakPolarHBondContact CA-O 3.49Å; R322-D355 IonicContact CZ-OD2 2.63Å; R322-D355 IonicContact NH1-OD2 3.09Å; R322-D355 PolarHBondContact NH1-OD2 3.08Å; R322-D355 IonicContact NH2-OD2 3.03Å; R322-D355 PolarHBondContact NH2-OD2 2.91Å; R322-D355 VanDerWaalsContact NH2-OD2 3.08Å; L351-D355 WeakPolarHBondContact CD1-OD1 3.41Å; L351-D355 VanDerWaalsContact O-CB 3.31Å; L351-D355 WeakPolarHBondContact O-CB 3.45Å; L351-D355 PolarHBondContact O-N 2.86Å; Y352-D355 PolarHBondContact O-N 3.09Å
356	L	82.1	Confident	90	Very high	7 Å²	7	28.3 Å²	28.3	4%	0.037	14%	0.141	C	C	.	.			trans	-61.2	133.1	175.8	-67.8	176.6	0	0	0	110.7	L276 Y352 R354 I358 V360	L276-L356 HydrophobicContact CB-CD1 4.33Å; L276-L356 HydrophobicContact CB-CD2 4.17Å; L276-L356 HydrophobicContact CD2-CD1 4.35Å; Y352-L356 HydrophobicContact CE1-CD2 4.28Å; Y352-L356 HydrophobicContact CE2-CD2 4.43Å; Y352-L356 PolarHBondContact O-N 3.33Å; R354-L356 VanDerWaalsContact C-N 3.27Å; R354-L356 PolarHBondContact O-N 3.35Å; L356-I358 VanDerWaalsContact CB-O 3.28Å; L356-I358 WeakPolarHBondContact CB-O 3.35Å; L356-I358 PolarHBondContact O-N 3.31Å; L356-V360 HydrophobicContact CD1-CG2 3.78Å
357	P	78.4	Confident	89.7	Confident	71 Å²	71	31.3 Å²	31.3	46%	0.461	16%	0.162	S	C	.	.	S	Bend	trans	-59.5	-33.3	175.3	-25.2	34.1	0	0	0	113.5	S273	S273-P357 VanDerWaalsContact O-CG 3.24Å; S273-P357 WeakPolarHBondContact O-CG 3.47Å
358	I	82.2	Confident	89.5	Confident	65 Å²	65	33.4 Å²	33.4	33%	0.333	17%	0.17	S	C	.	.	S	Bend	trans	-118.9	120.8	171.2	-56.2	175.7	0	0	0	106.5	L356 T362 F363	L356-I358 VanDerWaalsContact CB-O 3.28Å; L356-I358 WeakPolarHBondContact CB-O 3.35Å; L356-I358 PolarHBondContact O-N 3.31Å; I358-T362 HydrophobicContact CG2-CG2 3.91Å; I358-F363 HydrophobicContact CG2-CD2 4.44Å
359	P	88.8	Confident	89.4	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.006	17%	0.17	C	C	.	.			trans	-59.3	157.6	-179.7	21.8	-31.1	0	0	0	111.7	I361 T362 F363 H396 Q434	P359-I361 VanDerWaalsContact C-N 3.28Å; P359-I361 WeakPolarHBondContact CB-O 3.41Å; P359-I361 VanDerWaalsContact CG-O 3.26Å; P359-I361 WeakPolarHBondContact CG-O 3.4Å; P359-I361 CarbonylContact O-C 3.59Å; P359-I361 PolarHBondContact O-N 3.33Å; P359-T362 PolarHBondContact O-N 3.24Å; P359-F363 HydrophobicContact CG-CD1 3.97Å; P359-F363 HydrophobicContact CG-CD2 4.42Å; P359-F363 HydrophobicContact CG-CE1 3.77Å; P359-F363 HydrophobicContact CG-CE2 4.22Å; P359-F363 HydrophobicContact CG-CG 4.3Å; P359-F363 HydrophobicContact CG-CZ 3.9Å; P359-H396 PolarHBondContact O-CE1 3.42Å; P359-H396 VanDerWaalsContact O-CE1 3.27Å; P359-H396 PolarHBondContact O-ND1 3.02Å; P359-H396 VanDerWaalsContact O-ND1 3.14Å; P359-Q434 HydrophobicContact CG-CB 4.36Å
360	V	91.9	Very high	89.2	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.006	17%	0.172	C	C	.	.	S	Bend	trans	-54.4	-47.9	-179.6	179	0	0	0	0	110.5	L353 L356 T362 H396 L400 L432	L353-V360 HydrophobicContact CD2-CG2 3.77Å; L356-V360 HydrophobicContact CD1-CG2 3.78Å; V360-T362 PolarHBondContact O-N 3.38Å; V360-H396 WeakPolarHBondContact O-CB 3.45Å; V360-H396 PolarHBondContact O-ND1 2.86Å; V360-L400 HydrophobicContact CG1-CB 3.76Å; V360-L400 HydrophobicContact CG1-CD1 4.01Å; V360-L400 HydrophobicContact CG1-CG 4.36Å; V360-L432 HydrophobicContact CB-CD2 4Å; V360-L432 HydrophobicContact CG1-CD2 4.48Å; V360-L432 HydrophobicContact CG2-CD2 3.86Å
361	I	92.8	Very high	89.1	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-85.4	107.7	163.3	-65.1	172.6	0	0	0	106.9	P359 F369 L400 L432 M433 M457	P359-I361 VanDerWaalsContact C-N 3.28Å; P359-I361 WeakPolarHBondContact CB-O 3.41Å; P359-I361 VanDerWaalsContact CG-O 3.26Å; P359-I361 WeakPolarHBondContact CG-O 3.4Å; P359-I361 CarbonylContact O-C 3.59Å; P359-I361 PolarHBondContact O-N 3.33Å; I361-F369 HydrophobicContact CG2-CD2 3.41Å; I361-F369 VanDerWaalsContact CG2-CD2 3.41Å; I361-F369 HydrophobicContact CG2-CE2 3.75Å; I361-F369 HydrophobicContact CG2-CG 4.25Å; I361-L400 HydrophobicContact CG1-CD2 4.14Å; I361-L432 PolarHBondContact N-O 3.38Å; I361-L432 VanDerWaalsContact N-O 3.08Å; I361-M433 HydrophobicContact CB-CG 3.88Å; I361-M433 HydrophobicContact CD1-CE 4.48Å; I361-M433 HydrophobicContact CD1-CG 3.47Å; I361-M433 VanDerWaalsContact CD1-CG 3.47Å; I361-M433 HydrophobicContact CD1-SD 3.78Å; I361-M433 HydrophobicContact CG1-CG 4.19Å; I361-M433 HydrophobicContact CG2-CE 4.17Å; I361-M433 HydrophobicContact CG2-CG 4.15Å; I361-M457 HydrophobicContact CD1-CE 4.09Å; I361-M457 HydrophobicContact CD1-SD 4.37Å
362	T	85.9	Confident	89.4	Confident	10 Å²	10	38.4 Å²	38.4	6%	0.061	19%	0.194	C	C	.	.			trans	-61.1	154.9	-170.6	63	0	0	0	0	112.5	I358 P359 V360 D364 L365 Y366 L392 P393	I358-T362 HydrophobicContact CG2-CG2 3.91Å; P359-T362 PolarHBondContact O-N 3.24Å; V360-T362 PolarHBondContact O-N 3.38Å; T362-D364 PolarHBondContact O-N 3.43Å; T362-L365 PolarHBondContact O-N 2.87Å; T362-Y366 PolarHBondContact O-N 2.85Å; T362-L392 HydrophobicContact CG2-CD2 4.24Å; T362-P393 HydrophobicContact CG2-CG 4.02Å
363	F	83.1	Confident	89.4	Confident	60 Å²	60	38.8 Å²	38.8	26%	0.263	20%	0.197	S	C	.	.	H	α-helix	trans	-54.4	-39	176.7	-66.9	-59	0	0	0	112.9	I358 P359 L365 Y366 Q434 P436	I358-F363 HydrophobicContact CG2-CD2 4.44Å; P359-F363 HydrophobicContact CG-CD1 3.97Å; P359-F363 HydrophobicContact CG-CD2 4.42Å; P359-F363 HydrophobicContact CG-CE1 3.77Å; P359-F363 HydrophobicContact CG-CE2 4.22Å; P359-F363 HydrophobicContact CG-CG 4.3Å; P359-F363 HydrophobicContact CG-CZ 3.9Å; F363-L365 VanDerWaalsContact C-N 3.25Å; F363-L365 PolarHBondContact O-N 3.26Å; F363-Y366 WeakPolarHBondContact O-CB 3.32Å; F363-Y366 PolarHBondContact O-N 3.2Å; F363-Q434 WeakPolarHBondContact CD1-O 3.28Å; F363-Q434 HydrophobicContact CE1-CB 3.96Å; F363-P436 HydrophobicContact CB-CB 4.22Å; F363-P436 HydrophobicContact CD1-CB 4.25Å
364	D	82.7	Confident	89.6	Confident	145 Å²	145	44.2 Å²	44.2	78%	0.775	22%	0.221	S	C	*	.	H	α-helix	trans	-64	-30.4	179.8	-59.1	-32.8	0	0	0	112.7	T362	T362-D364 PolarHBondContact O-N 3.43Å
365	L	89.9	Confident	89.9	Confident	13 Å²	13	41 Å²	41	7%	0.068	21%	0.213	C	C	.	.	H	α-helix	trans	-99.7	-9.6	-178.1	-65.2	173.2	0	0	0	113.4	T362 F363 S367 K368 F369 Q391 L392	T362-L365 PolarHBondContact O-N 2.87Å; F363-L365 VanDerWaalsContact C-N 3.25Å; F363-L365 PolarHBondContact O-N 3.26Å; L365-S367 VanDerWaalsContact C-N 3.34Å; L365-S367 PolarHBondContact O-N 2.89Å; L365-K368 WeakPolarHBondContact O-CB 3.12Å; L365-K368 PolarHBondContact O-N 3.28Å; L365-K368 VanDerWaalsContact O-N 3.12Å; L365-F369 HydrophobicContact CB-CD2 4.12Å; L365-F369 HydrophobicContact CB-CE2 4.04Å; L365-F369 VanDerWaalsContact O-CD2 3.31Å; L365-F369 WeakPolarHBondContact O-CD2 3.24Å; L365-F369 PolarHBondContact O-N 3.34Å; L365-F369 VanDerWaalsContact O-N 3.08Å; L365-Q391 HydrophobicContact CD1-CB 3.98Å; L365-Q391 HydrophobicContact CD2-CB 3.77Å; L365-L392 HydrophobicContact CD1-CB 4.4Å; L365-L392 HydrophobicContact CD1-CD2 3.59Å; L365-L392 HydrophobicContact CD1-CG 3.81Å
366	Y	90.3	Very high	90.3	Very high	9 Å²	9	45.2 Å²	45.2	4%	0.035	24%	0.243	C	C	.	.	H	α-helix	trans	-49.5	-53.7	179.4	176.3	-90.8	0	0	0	111.7	T362 F363 K368 F369 I370 M433 Q434 P435 D446 Q450	T362-Y366 PolarHBondContact O-N 2.85Å; F363-Y366 WeakPolarHBondContact O-CB 3.32Å; F363-Y366 PolarHBondContact O-N 3.2Å; Y366-K368 VanDerWaalsContact C-N 3.3Å; Y366-K368 PolarHBondContact O-N 3.27Å; Y366-F369 PolarHBondContact O-N 3.47Å; Y366-I370 HydrophobicContact CD1-CG1 4.07Å; Y366-I370 HydrophobicContact CE1-CD1 4.43Å; Y366-I370 HydrophobicContact CE1-CG1 3.61Å; Y366-I370 HydrophobicContact CE2-CD1 4.23Å; Y366-I370 HydrophobicContact CE2-CG1 4.14Å; Y366-I370 WeakPolarHBondContact O-CG1 3.44Å; Y366-I370 PolarHBondContact O-N 3.4Å; Y366-M433 HydrophobicContact CD2-CB 4.04Å; Y366-M433 HydrophobicContact CD2-CE 3.98Å; Y366-M433 HydrophobicContact CE2-CB 4.03Å; Y366-M433 HydrophobicContact CE2-CE 4.23Å; Y366-Q434 VanDerWaalsContact CD2-O 3.24Å; Y366-Q434 WeakPolarHBondContact CD2-O 3.42Å; Y366-P435 HydrophobicContact CE1-CB 3.95Å; Y366-P435 HydrophobicContact CE2-CB 4.39Å; Y366-D446 VanDerWaalsContact OH-CB 3.23Å; Y366-D446 WeakPolarHBondContact OH-CB 3.5Å; Y366-D446 PolarHBondContact OH-OD2 3.16Å; Y366-Q450 HydrophobicContact CE2-CG 4.33Å; Y366-Q450 PolarHBondContact OH-NE2 2.82Å
367	S	90.8	Very high	90.9	Very high	63 Å²	63	48.4 Å²	48.4	44%	0.441	26%	0.26	S	S	.	.	H	α-helix	trans	-61	-38.5	-177.7	61.1	0	0	0	0	112.3	L365 I370 Q371	L365-S367 VanDerWaalsContact C-N 3.34Å; L365-S367 PolarHBondContact O-N 2.89Å; S367-I370 PolarHBondContact O-N 2.95Å; S367-Q371 WeakPolarHBondContact O-CB 3.32Å; S367-Q371 VanDerWaalsContact O-CG 3.26Å; S367-Q371 WeakPolarHBondContact O-CG 3.26Å; S367-Q371 PolarHBondContact O-N 3.09Å
368	K	93.8	Very high	91.7	Very high	49 Å²	49	47.4 Å²	47.4	21%	0.213	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-46.8	177.2	-176.7	168.2	178.4	164.9	0	111.4	L365 Y366 Q371 A372 E387	L365-K368 WeakPolarHBondContact O-CB 3.12Å; L365-K368 PolarHBondContact O-N 3.28Å; L365-K368 VanDerWaalsContact O-N 3.12Å; Y366-K368 VanDerWaalsContact C-N 3.3Å; Y366-K368 PolarHBondContact O-N 3.27Å; K368-Q371 PolarHBondContact O-N 3.48Å; K368-A372 WeakPolarHBondContact O-CB 3.41Å; K368-A372 PolarHBondContact O-N 2.85Å; K368-E387 IonicContact NZ-OE2 2.73Å; K368-E387 PolarHBondContact NZ-OE2 3.08Å
369	F	96.2	Very high	92.2	Very high	1 Å²	1	51 Å²	51	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-65.7	-39.8	177.3	-80	-73.3	0	0	0	112.8	I361 L365 Y366 A372 A373 I385 G388 L389 M433 V453 M457	I361-F369 HydrophobicContact CG2-CD2 3.41Å; I361-F369 VanDerWaalsContact CG2-CD2 3.41Å; I361-F369 HydrophobicContact CG2-CE2 3.75Å; I361-F369 HydrophobicContact CG2-CG 4.25Å; L365-F369 HydrophobicContact CB-CD2 4.12Å; L365-F369 HydrophobicContact CB-CE2 4.04Å; L365-F369 VanDerWaalsContact O-CD2 3.31Å; L365-F369 WeakPolarHBondContact O-CD2 3.24Å; L365-F369 PolarHBondContact O-N 3.34Å; L365-F369 VanDerWaalsContact O-N 3.08Å; Y366-F369 PolarHBondContact O-N 3.47Å; F369-A372 WeakPolarHBondContact O-CB 3.48Å; F369-A372 PolarHBondContact O-N 2.91Å; F369-A373 PolarHBondContact O-N 3.37Å; F369-A373 VanDerWaalsContact O-N 3.1Å; F369-I385 HydrophobicContact CD1-CG1 4.43Å; F369-I385 HydrophobicContact CE1-CG2 4.07Å; F369-I385 WeakPolarHBondContact CE1-O 3.18Å; F369-G388 VanDerWaalsContact CZ-C 3.46Å; F369-L389 HydrophobicContact CE1-CD2 4.31Å; F369-L389 HydrophobicContact CE1-CG 4.26Å; F369-L389 HydrophobicContact CZ-CD2 3.99Å; F369-L389 HydrophobicContact CZ-CG 4.14Å; F369-M433 HydrophobicContact CB-CE 3.52Å; F369-M433 HydrophobicContact CG-CE 4.39Å; F369-V453 HydrophobicContact CB-CG1 4.32Å; F369-V453 HydrophobicContact CB-CG2 4.29Å; F369-V453 HydrophobicContact CD1-CG1 3.85Å; F369-V453 HydrophobicContact CG-CG1 4.38Å; F369-V453 WeakPolarHBondContact O-CG2 3.34Å; F369-M457 HydrophobicContact CD1-CE 3.62Å; F369-M457 HydrophobicContact CE1-CE 3.16Å; F369-M457 HydrophobicContact CZ-CE 3.86Å
370	I	94.9	Very high	92.6	Very high	5 Å²	5	53.2 Å²	53.2	3%	0.026	29%	0.288	C	S	.	.	H	α-helix	trans	-63.7	-42	175.9	-65	-54.2	0	0	0	111.4	Y366 S367 A373 K374 M433 D446 Q449 Q450	Y366-I370 HydrophobicContact CD1-CG1 4.07Å; Y366-I370 HydrophobicContact CE1-CD1 4.43Å; Y366-I370 HydrophobicContact CE1-CG1 3.61Å; Y366-I370 HydrophobicContact CE2-CD1 4.23Å; Y366-I370 HydrophobicContact CE2-CG1 4.14Å; Y366-I370 WeakPolarHBondContact O-CG1 3.44Å; Y366-I370 PolarHBondContact O-N 3.4Å; S367-I370 PolarHBondContact O-N 2.95Å; I370-A373 PolarHBondContact O-N 3.49Å; I370-K374 HydrophobicContact CG2-CD 4.37Å; I370-K374 WeakPolarHBondContact O-CG 3.3Å; I370-K374 PolarHBondContact O-N 3.01Å; I370-M433 HydrophobicContact CD1-CE 3.88Å; I370-M433 HydrophobicContact CG1-CE 4.26Å; I370-D446 HydrophobicContact CD1-CB 4.07Å; I370-D446 HydrophobicContact CG1-CB 4.46Å; I370-D446 HydrophobicContact CG2-CB 4.4Å; I370-D446 WeakPolarHBondContact CG2-OD1 3.5Å; I370-Q449 HydrophobicContact CD1-CB 3.86Å; I370-Q449 HydrophobicContact CG2-CB 4.25Å; I370-Q449 HydrophobicContact CG2-CG 4.43Å; I370-Q450 HydrophobicContact CD1-CG 3.76Å
371	Q	95.3	Very high	92.8	Very high	128 Å²	128	56 Å²	56	60%	0.598	30%	0.299	S	S	*	.	H	α-helix	trans	-66.2	-41	176.1	-72.5	174.3	24.5	0	0	111.7	S367 K368 A373 K374 L375	S367-Q371 WeakPolarHBondContact O-CB 3.32Å; S367-Q371 VanDerWaalsContact O-CG 3.26Å; S367-Q371 WeakPolarHBondContact O-CG 3.26Å; S367-Q371 PolarHBondContact O-N 3.09Å; K368-Q371 PolarHBondContact O-N 3.48Å; Q371-A373 VanDerWaalsContact C-N 3.3Å; Q371-A373 PolarHBondContact O-N 3.01Å; Q371-K374 WeakPolarHBondContact O-CB 3.29Å; Q371-K374 PolarHBondContact O-N 3.11Å; Q371-L375 PolarHBondContact O-N 3.26Å
372	A	96.7	Very high	93	Very high	3 Å²	3	57.9 Å²	57.9	3%	0.025	31%	0.309	C	S	.	.	H	α-helix	trans	-55.1	-46.8	174.9	0	0	0	0	0	111	K368 F369 K374 L375 R381 A384 I385	K368-A372 WeakPolarHBondContact O-CB 3.41Å; K368-A372 PolarHBondContact O-N 2.85Å; F369-A372 WeakPolarHBondContact O-CB 3.48Å; F369-A372 PolarHBondContact O-N 2.91Å; A372-K374 PolarHBondContact O-N 3.01Å; A372-L375 WeakPolarHBondContact O-CB 3.43Å; A372-L375 WeakPolarHBondContact O-CG 3.48Å; A372-L375 PolarHBondContact O-N 2.76Å; A372-L375 VanDerWaalsContact O-N 3.14Å; A372-R381 WeakPolarHBondContact O-CG 3.48Å; A372-A384 HydrophobicContact CB-CB 3.61Å; A372-I385 HydrophobicContact CB-CG1 3.96Å
373	A	96	Very high	93.5	Very high	7 Å²	7	63.4 Å²	63.4	6%	0.058	33%	0.334	C	S	.	.	H	α-helix	trans	-65.4	-18.7	178	0	0	0	0	0	115	F369 I370 Q371 Q449 L452 V453	F369-A373 PolarHBondContact O-N 3.37Å; F369-A373 VanDerWaalsContact O-N 3.1Å; I370-A373 PolarHBondContact O-N 3.49Å; Q371-A373 VanDerWaalsContact C-N 3.3Å; Q371-A373 PolarHBondContact O-N 3.01Å; A373-Q449 HydrophobicContact CB-CB 3.97Å; A373-Q449 HydrophobicContact CB-CG 4.11Å; A373-L452 HydrophobicContact CB-CD2 4.27Å; A373-V453 HydrophobicContact CB-CG2 3.69Å
374	K	95.5	Very high	94.2	Very high	115 Å²	115	61.5 Å²	61.5	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-85	-9.5	177.4	-69.3	171.9	-175.7	173.3	0	112.8	I370 Q371 A372 D446 Q449	I370-K374 HydrophobicContact CG2-CD 4.37Å; I370-K374 WeakPolarHBondContact O-CG 3.3Å; I370-K374 PolarHBondContact O-N 3.01Å; Q371-K374 WeakPolarHBondContact O-CB 3.29Å; Q371-K374 PolarHBondContact O-N 3.11Å; A372-K374 PolarHBondContact O-N 3.01Å; K374-D446 IonicContact NZ-OD1 2.77Å; K374-D446 PolarHBondContact NZ-OD1 2.85Å; K374-D446 VanDerWaalsContact NZ-OD1 3.14Å; K374-Q449 HydrophobicContact CG-CG 3.92Å
375	L	96.2	Very high	94.9	Very high	67 Å²	67	54.6 Å²	54.6	35%	0.351	29%	0.292	S	S	.	.			trans	-66.1	138.8	178	-62.3	171.1	0	0	0	110.9	Q371 A372 S380 R381 A384	Q371-L375 PolarHBondContact O-N 3.26Å; A372-L375 WeakPolarHBondContact O-CB 3.43Å; A372-L375 WeakPolarHBondContact O-CG 3.48Å; A372-L375 PolarHBondContact O-N 2.76Å; A372-L375 VanDerWaalsContact O-N 3.14Å; L375-S380 WeakPolarHBondContact CD1-O 3.42Å; L375-R381 HydrophobicContact CB-CG 3.76Å; L375-R381 VanDerWaalsContact O-CD 3.27Å; L375-R381 WeakPolarHBondContact O-CD 3.41Å; L375-R381 WeakPolarHBondContact O-CG 3.17Å; L375-A384 HydrophobicContact CD1-CB 3.8Å
376	P	92.6	Very high	95.2	Very high	129 Å²	129	57.1 Å²	57.1	84%	0.838	30%	0.303	S	S	*	.	S	Bend	trans	-74.7	-35	-176.2	28.2	-34	0	0	0	112.7
377	N	95.8	Very high	95.5	Very high	74 Å²	74	61.9 Å²	61.9	40%	0.396	33%	0.326	S	S	.	.	S	Bend	trans	-83.6	131.7	-177.3	-177.5	44.3	0	0	0	111.5	S380 R381	N377-S380 PolarHBondContact ND2-N 3.23Å; N377-S380 PolarHBondContact ND2-OG 3.37Å; N377-S380 PolarHBondContact O-N 3.2Å; N377-R381 WeakPolarHBondContact O-CG 3.49Å; N377-R381 PolarHBondContact O-N 3.01Å
378	A	93.7	Very high	95.7	Very high	50 Å²	50	58.9 Å²	58.9	41%	0.413	31%	0.305	S	S	.	.	H	α-helix	trans	-64.8	-43	-176.3	0	0	0	0	0	113	R381 L382	A378-R381 WeakPolarHBondContact O-CB 3.5Å; A378-R381 PolarHBondContact O-N 2.74Å; A378-L382 PolarHBondContact O-N 3.45Å
379	E	94.2	Very high	95.8	Very high	142 Å²	142	56.6 Å²	56.6	66%	0.664	30%	0.295	S	S	*	.	H	α-helix	trans	-64.7	-46.7	179.1	-64.1	176.1	165	0	0	111	R381 L382 E383	E379-R381 PolarHBondContact O-N 3.09Å; E379-L382 PolarHBondContact O-N 3.23Å; E379-E383 PolarHBondContact O-N 3.38Å
380	S	95.8	Very high	95.6	Very high	46 Å²	46	61.9 Å²	61.9	32%	0.322	32%	0.323	S	S	.	.	H	α-helix	trans	-63.1	-30.3	177.7	-51.4	0	0	0	0	112.8	L375 N377 A384	L375-S380 WeakPolarHBondContact CD1-O 3.42Å; N377-S380 PolarHBondContact ND2-N 3.23Å; N377-S380 PolarHBondContact ND2-OG 3.37Å; N377-S380 PolarHBondContact O-N 3.2Å; S380-A384 VanDerWaalsContact O-CB 3.31Å; S380-A384 WeakPolarHBondContact O-CB 3.11Å; S380-A384 PolarHBondContact O-N 3.06Å
381	R	96.6	Very high	95.4	Very high	61 Å²	61	67 Å²	67	23%	0.23	35%	0.347	C	S	.	.	H	α-helix	trans	-62	-47.9	170.7	-74	-170	-65.8	-157.5	1.4	111.3	A372 L375 N377 A378 E379 A384 I385	A372-R381 WeakPolarHBondContact O-CG 3.48Å; L375-R381 HydrophobicContact CB-CG 3.76Å; L375-R381 VanDerWaalsContact O-CD 3.27Å; L375-R381 WeakPolarHBondContact O-CD 3.41Å; L375-R381 WeakPolarHBondContact O-CG 3.17Å; N377-R381 WeakPolarHBondContact O-CG 3.49Å; N377-R381 PolarHBondContact O-N 3.01Å; A378-R381 WeakPolarHBondContact O-CB 3.5Å; A378-R381 PolarHBondContact O-N 2.74Å; E379-R381 PolarHBondContact O-N 3.09Å; R381-A384 PolarHBondContact O-N 3.5Å; R381-I385 WeakPolarHBondContact O-CB 3.46Å; R381-I385 VanDerWaalsContact O-CG1 3.25Å; R381-I385 WeakPolarHBondContact O-CG1 3.17Å; R381-I385 PolarHBondContact O-N 3.5Å
382	L	96.4	Very high	95.1	Very high	38 Å²	38	61.5 Å²	61.5	20%	0.199	32%	0.321	C	S	.	.	H	α-helix	trans	-66.2	-42.8	-178.4	-66.9	176.1	0	0	0	111.6	A378 E379 A384 I385 H386 L456 H460 L464	A378-L382 PolarHBondContact O-N 3.45Å; E379-L382 PolarHBondContact O-N 3.23Å; L382-A384 PolarHBondContact O-N 2.98Å; L382-I385 PolarHBondContact O-N 3.03Å; L382-H386 WeakPolarHBondContact O-CB 3.3Å; L382-H386 PolarHBondContact O-N 3.14Å; L382-L456 HydrophobicContact CD2-CB 4.35Å; L382-H460 HydrophobicContact CD2-CB 4.18Å; L382-H460 VanDerWaalsContact CD2-CD2 3.49Å; L382-H460 WeakPolarHBondContact CD2-CD2 3.46Å; L382-L464 HydrophobicContact CD2-CD1 4.43Å
383	E	96.8	Very high	94.6	Very high	127 Å²	127	62.9 Å²	62.9	59%	0.593	33%	0.33	S	S	*	.	H	α-helix	trans	-57.8	-49.2	174.1	-71.8	176.9	167.6	0	0	111.5	E379 I385 H386 E387	E379-E383 PolarHBondContact O-N 3.38Å; E383-I385 VanDerWaalsContact C-N 3.34Å; E383-I385 PolarHBondContact O-N 3.44Å; E383-H386 PolarHBondContact O-N 3.44Å; E383-E387 WeakPolarHBondContact O-CG 3.33Å; E383-E387 PolarHBondContact O-N 3.35Å
384	A	97.3	Very high	94.3	Very high	19 Å²	19	65.3 Å²	65.3	16%	0.157	35%	0.345	C	S	.	.	H	α-helix	trans	-65.2	-35.5	179.8	0	0	0	0	0	113	A372 L375 S380 R381 L382 G388	A372-A384 HydrophobicContact CB-CB 3.61Å; L375-A384 HydrophobicContact CD1-CB 3.8Å; S380-A384 VanDerWaalsContact O-CB 3.31Å; S380-A384 WeakPolarHBondContact O-CB 3.11Å; S380-A384 PolarHBondContact O-N 3.06Å; R381-A384 PolarHBondContact O-N 3.5Å; L382-A384 PolarHBondContact O-N 2.98Å; A384-G388 PolarHBondContact O-N 2.95Å; A384-G388 VanDerWaalsContact O-N 3.13Å
385	I	97.7	Very high	93.8	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.2	-47.7	172.4	-73.9	171.2	0	0	0	110	F369 A372 R381 L382 E383 E387 G388 L389 L456 M457 L464	F369-I385 HydrophobicContact CD1-CG1 4.43Å; F369-I385 HydrophobicContact CE1-CG2 4.07Å; F369-I385 WeakPolarHBondContact CE1-O 3.18Å; A372-I385 HydrophobicContact CB-CG1 3.96Å; R381-I385 WeakPolarHBondContact O-CB 3.46Å; R381-I385 VanDerWaalsContact O-CG1 3.25Å; R381-I385 WeakPolarHBondContact O-CG1 3.17Å; R381-I385 PolarHBondContact O-N 3.5Å; L382-I385 PolarHBondContact O-N 3.03Å; E383-I385 VanDerWaalsContact C-N 3.34Å; E383-I385 PolarHBondContact O-N 3.44Å; I385-E387 PolarHBondContact O-N 3.2Å; I385-G388 WeakPolarHBondContact O-CA 3.49Å; I385-G388 PolarHBondContact O-N 3.3Å; I385-G388 VanDerWaalsContact O-N 3.08Å; I385-L389 HydrophobicContact CG2-CD1 4.27Å; I385-L389 WeakPolarHBondContact O-CG 3.31Å; I385-L389 PolarHBondContact O-N 3.36Å; I385-L456 HydrophobicContact CD1-CB 4.1Å; I385-L456 HydrophobicContact CD1-CD1 3.81Å; I385-M457 HydrophobicContact CG2-CE 3.83Å; I385-M457 HydrophobicContact CG2-CG 4.1Å; I385-L464 HydrophobicContact CG2-CD1 4.05Å; I385-L464 HydrophobicContact CG2-CD2 4.23Å
386	H	96.9	Very high	93.7	Very high	67 Å²	67	57 Å²	57	31%	0.31	31%	0.307	S	S	.	.	H	α-helix	trans	-59.6	-45.5	178.7	-176.7	69.6	0	0	0	111.9	L382 E383 G388 L389 L390 L464	L382-H386 WeakPolarHBondContact O-CB 3.3Å; L382-H386 PolarHBondContact O-N 3.14Å; E383-H386 PolarHBondContact O-N 3.44Å; H386-G388 VanDerWaalsContact C-N 3.25Å; H386-G388 PolarHBondContact O-N 3.07Å; H386-L389 WeakPolarHBondContact O-CB 3.32Å; H386-L389 PolarHBondContact O-N 3.03Å; H386-L389 VanDerWaalsContact O-N 3.09Å; H386-L390 WeakPolarHBondContact O-CG 3.43Å; H386-L390 PolarHBondContact O-N 3.13Å; H386-L464 HydrophobicContact CB-CD2 3.78Å; H386-L464 PolarHBondContact CE1-O 2.98Å; H386-L464 PolarHBondContact ND1-O 3.32Å
387	E	95.9	Very high	93.9	Very high	109 Å²	109	53.3 Å²	53.3	51%	0.509	28%	0.277	S	S	.	.	H	α-helix	trans	-60.1	-35.5	174.2	-72.5	-172.4	178.2	0	0	113.2	K368 E383 I385 Q391	K368-E387 IonicContact NZ-OE2 2.73Å; K368-E387 PolarHBondContact NZ-OE2 3.08Å; E383-E387 WeakPolarHBondContact O-CG 3.33Å; E383-E387 PolarHBondContact O-N 3.35Å; I385-E387 PolarHBondContact O-N 3.2Å; E387-Q391 WeakPolarHBondContact O-CG 3.35Å
388	G	95.1	Very high	94	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-65.5	-41.7	173.9	0	0	0	0	0	111.8	F369 A384 I385 H386 L390 Q391	F369-G388 VanDerWaalsContact CZ-C 3.46Å; A384-G388 PolarHBondContact O-N 2.95Å; A384-G388 VanDerWaalsContact O-N 3.13Å; I385-G388 WeakPolarHBondContact O-CA 3.49Å; I385-G388 PolarHBondContact O-N 3.3Å; I385-G388 VanDerWaalsContact O-N 3.08Å; H386-G388 VanDerWaalsContact C-N 3.25Å; H386-G388 PolarHBondContact O-N 3.07Å; G388-L390 PolarHBondContact O-N 3.22Å; G388-Q391 PolarHBondContact O-N 3.2Å
389	L	96.3	Very high	94.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-42.6	178.1	-69.9	172.7	0	0	0	111.8	F369 I385 H386 Q391 L392 Y397 L400 M457 L464 F465	F369-L389 HydrophobicContact CE1-CD2 4.31Å; F369-L389 HydrophobicContact CE1-CG 4.26Å; F369-L389 HydrophobicContact CZ-CD2 3.99Å; F369-L389 HydrophobicContact CZ-CG 4.14Å; I385-L389 HydrophobicContact CG2-CD1 4.27Å; I385-L389 WeakPolarHBondContact O-CG 3.31Å; I385-L389 PolarHBondContact O-N 3.36Å; H386-L389 WeakPolarHBondContact O-CB 3.32Å; H386-L389 PolarHBondContact O-N 3.03Å; H386-L389 VanDerWaalsContact O-N 3.09Å; L389-Q391 PolarHBondContact O-N 3.33Å; L389-Q391 VanDerWaalsContact O-N 3.13Å; L389-L392 HydrophobicContact CD2-CD1 3.79Å; L389-L392 WeakPolarHBondContact O-CB 3.41Å; L389-L392 PolarHBondContact O-N 2.95Å; L389-Y397 HydrophobicContact CB-CD2 4.29Å; L389-Y397 HydrophobicContact CB-CE2 4.08Å; L389-Y397 WeakPolarHBondContact O-CD2 3.32Å; L389-L400 HydrophobicContact CD2-CD2 3.49Å; L389-L400 VanDerWaalsContact CD2-CD2 3.49Å; L389-M457 HydrophobicContact CD2-CE 3.76Å; L389-M457 HydrophobicContact CG-CE 4.28Å; L389-L464 HydrophobicContact CD1-CB 3.97Å; L389-F465 HydrophobicContact CD1-CD1 4.36Å; L389-F465 HydrophobicContact CD1-CD2 4.44Å; L389-F465 HydrophobicContact CD1-CE1 3.87Å; L389-F465 HydrophobicContact CD1-CE2 3.92Å; L389-F465 HydrophobicContact CD1-CZ 3.62Å; L389-F465 HydrophobicContact CD2-CE1 3.7Å; L389-F465 HydrophobicContact CD2-CZ 3.58Å; L389-F465 HydrophobicContact CG-CE1 4.32Å; L389-F465 HydrophobicContact CG-CZ 4.25Å
390	L	92.7	Very high	94.4	Very high	113 Å²	113	42.5 Å²	42.5	59%	0.592	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.4	178.4	-66.1	178.3	0	0	0	114	H386 G388	H386-L390 WeakPolarHBondContact O-CG 3.43Å; H386-L390 PolarHBondContact O-N 3.13Å; G388-L390 PolarHBondContact O-N 3.22Å
391	Q	91	Very high	94.5	Very high	112 Å²	112	43.9 Å²	43.9	52%	0.523	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-8.8	177.1	-64.4	-179.6	26.4	0	0	113	L365 E387 G388 L389	L365-Q391 HydrophobicContact CD1-CB 3.98Å; L365-Q391 HydrophobicContact CD2-CB 3.77Å; E387-Q391 WeakPolarHBondContact O-CG 3.35Å; G388-Q391 PolarHBondContact O-N 3.2Å; L389-Q391 PolarHBondContact O-N 3.33Å; L389-Q391 VanDerWaalsContact O-N 3.13Å
392	L	88.9	Confident	94.6	Very high	13 Å²	13	43.2 Å²	43.2	7%	0.068	21%	0.211	C	C	.	.	S	Bend	trans	-65.5	144.9	177.4	-76.3	167.2	0	0	0	110.5	T362 L365 L389 H396 L400	T362-L392 HydrophobicContact CG2-CD2 4.24Å; L365-L392 HydrophobicContact CD1-CB 4.4Å; L365-L392 HydrophobicContact CD1-CD2 3.59Å; L365-L392 HydrophobicContact CD1-CG 3.81Å; L389-L392 HydrophobicContact CD2-CD1 3.79Å; L389-L392 WeakPolarHBondContact O-CB 3.41Å; L389-L392 PolarHBondContact O-N 2.95Å; L392-H396 HydrophobicContact CB-CB 4.4Å; L392-H396 HydrophobicContact CD2-CB 4.28Å; L392-L400 HydrophobicContact CD1-CD2 3.76Å
393	P	85.9	Confident	94.7	Very high	31 Å²	31	41.5 Å²	41.5	20%	0.201	20%	0.202	C	C	.	.			trans	-56.5	145.8	168.2	-22.4	31.8	0	0	0	111.4	Y208 T362 A395 H396 Y397	Y208-P393 HydrophobicContact CE2-CB 3.89Å; Y208-P393 WeakPolarHBondContact OH-CB 3.05Å; T362-P393 HydrophobicContact CG2-CG 4.02Å; P393-A395 VanDerWaalsContact C-N 3.31Å; P393-A395 PolarHBondContact O-N 3.27Å; P393-A395 VanDerWaalsContact O-N 3.16Å; P393-H396 HydrophobicContact CB-CB 4.39Å; P393-H396 WeakPolarHBondContact O-CA 3.32Å; P393-H396 WeakPolarHBondContact O-CB 3.5Å; P393-H396 PolarHBondContact O-N 3.41Å; P393-Y397 PolarHBondContact O-N 3.11Å
394	P	88.4	Confident	94.8	Very high	58 Å²	58	35.4 Å²	35.4	38%	0.377	17%	0.174	S	C	.	.	H	α-helix	trans	-55.5	-40.3	-173.2	-28	37.1	0	0	0	114.3	Y208 H396 Y397 E398	Y208-P394 HydrophobicContact CD2-CG 3.65Å; Y208-P394 HydrophobicContact CE2-CG 4.24Å; Y208-P394 HydrophobicContact CG-CG 3.87Å; P394-H396 VanDerWaalsContact C-N 3.31Å; P394-H396 PolarHBondContact O-N 3.04Å; P394-Y397 PolarHBondContact O-N 3.16Å; P394-E398 WeakPolarHBondContact O-CB 3.47Å; P394-E398 PolarHBondContact O-N 3.07Å
395	A	86	Confident	94.8	Very high	5 Å²	5	35 Å²	35	4%	0.041	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-37.1	176.8	0	0	0	0	0	112.3	L276 V280 P393 T399	L276-A395 HydrophobicContact CG-CB 4.3Å; V280-A395 HydrophobicContact CB-CB 4.12Å; V280-A395 HydrophobicContact CG1-CB 4.16Å; V280-A395 HydrophobicContact CG2-CB 4.09Å; P393-A395 VanDerWaalsContact C-N 3.31Å; P393-A395 PolarHBondContact O-N 3.27Å; P393-A395 VanDerWaalsContact O-N 3.16Å; A395-T399 VanDerWaalsContact O-CB 3.23Å; A395-T399 WeakPolarHBondContact O-CB 3.44Å; A395-T399 PolarHBondContact O-N 3.2Å; A395-T399 PolarHBondContact O-OG1 2.67Å
396	H	93.6	Very high	94.9	Very high	3 Å²	3	35 Å²	35	1%	0.014	17%	0.17	C	C	.	.	H	α-helix	trans	-72	-47.4	176.9	-71.7	-110.5	0	0	0	111.1	L276 P359 V360 L392 P393 P394 T399 L400	L276-H396 HydrophobicContact CD2-CB 4.27Å; P359-H396 PolarHBondContact O-CE1 3.42Å; P359-H396 VanDerWaalsContact O-CE1 3.27Å; P359-H396 PolarHBondContact O-ND1 3.02Å; P359-H396 VanDerWaalsContact O-ND1 3.14Å; V360-H396 WeakPolarHBondContact O-CB 3.45Å; V360-H396 PolarHBondContact O-ND1 2.86Å; L392-H396 HydrophobicContact CB-CB 4.4Å; L392-H396 HydrophobicContact CD2-CB 4.28Å; P393-H396 HydrophobicContact CB-CB 4.39Å; P393-H396 WeakPolarHBondContact O-CA 3.32Å; P393-H396 WeakPolarHBondContact O-CB 3.5Å; P393-H396 PolarHBondContact O-N 3.41Å; P394-H396 VanDerWaalsContact C-N 3.31Å; P394-H396 PolarHBondContact O-N 3.04Å; H396-T399 PolarHBondContact O-N 2.91Å; H396-L400 VanDerWaalsContact O-CB 3.28Å; H396-L400 WeakPolarHBondContact O-CB 3.38Å; H396-L400 PolarHBondContact O-N 3.04Å
397	Y	96.8	Very high	95	Very high	52 Å²	52	31.8 Å²	31.8	20%	0.204	16%	0.156	C	C	.	.	H	α-helix	trans	-57.9	-51.1	177.6	178.3	-93.2	0	0	0	111.8	L389 P393 P394 T399 L400 R401 F465	L389-Y397 HydrophobicContact CB-CD2 4.29Å; L389-Y397 HydrophobicContact CB-CE2 4.08Å; L389-Y397 WeakPolarHBondContact O-CD2 3.32Å; P393-Y397 PolarHBondContact O-N 3.11Å; P394-Y397 PolarHBondContact O-N 3.16Å; Y397-T399 PolarHBondContact O-N 3.37Å; Y397-L400 PolarHBondContact O-N 3.43Å; Y397-R401 VanDerWaalsContact O-CB 3.31Å; Y397-R401 WeakPolarHBondContact O-CB 3.28Å; Y397-R401 PolarHBondContact O-N 2.75Å; Y397-F465 HydrophobicContact CD2-CD1 4.4Å; Y397-F465 HydrophobicContact CD2-CE1 4.34Å; Y397-F465 HydrophobicContact CE1-CD1 4.45Å; Y397-F465 AromaticContact CE2-CD1 3.7Å; Y397-F465 HydrophobicContact CE2-CD1 3.7Å; Y397-F465 HydrophobicContact CE2-CE1 4.02Å; Y397-F465 AromaticContact CZ-CD1 3.74Å
398	E	97.1	Very high	95.1	Very high	38 Å²	38	29.9 Å²	29.9	18%	0.178	15%	0.146	C	C	.	.	H	α-helix	trans	-68.7	-35.8	-177	-177	59.1	-165.3	0	0	112.3	R287 P394 R401 Y402	R287-E398 IonicContact NH1-OE1 3.28Å; P394-E398 WeakPolarHBondContact O-CB 3.47Å; P394-E398 PolarHBondContact O-N 3.07Å; E398-R401 IonicContact OE1-CZ 3.08Å; E398-R401 IonicContact OE1-NE 2.68Å; E398-R401 IonicContact OE1-NH2 2.7Å; E398-R401 PolarHBondContact OE1-NH2 3.42Å; E398-R401 IonicContact OE2-CZ 3.16Å; E398-R401 IonicContact OE2-NE 2.7Å; E398-R401 PolarHBondContact OE2-NE 3.29Å; E398-R401 IonicContact OE2-NH2 3.09Å; E398-R401 PolarHBondContact OE2-NH2 2.77Å; E398-Y402 WeakPolarHBondContact O-CB 3.49Å; E398-Y402 PolarHBondContact O-N 2.92Å; E398-Y402 VanDerWaalsContact O-N 3.08Å
399	T	97.8	Very high	95.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.1	-44.8	172.6	-61.6	0	0	0	0	111.1	L276 P288 V291 L353 A395 H396 Y397 L403	L276-T399 HydrophobicContact CD2-CG2 4.42Å; P288-T399 WeakPolarHBondContact CD-OG1 3.49Å; V291-T399 HydrophobicContact CG1-CG2 4.49Å; V291-T399 HydrophobicContact CG2-CG2 4.03Å; L353-T399 HydrophobicContact CD2-CG2 4.38Å; A395-T399 VanDerWaalsContact O-CB 3.23Å; A395-T399 WeakPolarHBondContact O-CB 3.44Å; A395-T399 PolarHBondContact O-N 3.2Å; A395-T399 PolarHBondContact O-OG1 2.67Å; H396-T399 PolarHBondContact O-N 2.91Å; Y397-T399 PolarHBondContact O-N 3.37Å; T399-L403 WeakPolarHBondContact O-CB 3.44Å; T399-L403 PolarHBondContact O-N 3.3Å; T399-L403 VanDerWaalsContact O-N 3.08Å
400	L	98.4	Very high	95.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.9	-46.8	178.8	-175.3	60.7	0	0	0	111.2	V360 I361 L389 L392 H396 Y397 Y402 L403 M404 L432 M457 F465	V360-L400 HydrophobicContact CG1-CB 3.76Å; V360-L400 HydrophobicContact CG1-CD1 4.01Å; V360-L400 HydrophobicContact CG1-CG 4.36Å; I361-L400 HydrophobicContact CG1-CD2 4.14Å; L389-L400 HydrophobicContact CD2-CD2 3.49Å; L389-L400 VanDerWaalsContact CD2-CD2 3.49Å; L392-L400 HydrophobicContact CD1-CD2 3.76Å; H396-L400 VanDerWaalsContact O-CB 3.28Å; H396-L400 WeakPolarHBondContact O-CB 3.38Å; H396-L400 PolarHBondContact O-N 3.04Å; Y397-L400 PolarHBondContact O-N 3.43Å; L400-Y402 PolarHBondContact O-N 3.32Å; L400-L403 PolarHBondContact O-N 3.07Å; L400-M404 HydrophobicContact CD1-CE 3.88Å; L400-M404 HydrophobicContact CD1-CG 4.21Å; L400-M404 HydrophobicContact CG-CG 4.31Å; L400-M404 VanDerWaalsContact O-CG 3.31Å; L400-M404 WeakPolarHBondContact O-CG 3.27Å; L400-M404 PolarHBondContact O-N 2.74Å; L400-L432 HydrophobicContact CD1-CD1 4.01Å; L400-M457 HydrophobicContact CD2-CE 4.43Å; L400-M457 HydrophobicContact CD2-SD 4.18Å; L400-F465 HydrophobicContact CD2-CE1 4.37Å; L400-F465 HydrophobicContact CD2-CZ 4.08Å; L400-F465 HydrophobicContact CG-CE1 4.26Å; L400-F465 HydrophobicContact CG-CZ 3.94Å
401	R	98.3	Very high	95.7	Very high	75 Å²	75	30 Å²	30	28%	0.283	14%	0.141	S	C	.	.	H	α-helix	trans	-54.9	-51.7	177.5	-175.8	178.4	79.4	72.9	6	111.7	Y397 E398 L403 M404 A405 F465	Y397-R401 VanDerWaalsContact O-CB 3.31Å; Y397-R401 WeakPolarHBondContact O-CB 3.28Å; Y397-R401 PolarHBondContact O-N 2.75Å; E398-R401 IonicContact OE1-CZ 3.08Å; E398-R401 IonicContact OE1-NE 2.68Å; E398-R401 IonicContact OE1-NH2 2.7Å; E398-R401 PolarHBondContact OE1-NH2 3.42Å; E398-R401 IonicContact OE2-CZ 3.16Å; E398-R401 IonicContact OE2-NE 2.7Å; E398-R401 PolarHBondContact OE2-NE 3.29Å; E398-R401 IonicContact OE2-NH2 3.09Å; E398-R401 PolarHBondContact OE2-NH2 2.77Å; R401-L403 VanDerWaalsContact C-N 3.31Å; R401-L403 PolarHBondContact O-N 3Å; R401-M404 PolarHBondContact O-N 2.93Å; R401-A405 PolarHBondContact O-N 3.06Å; R401-F465 HydrophobicContact CB-CB 4.4Å; R401-F465 HydrophobicContact CB-CD1 3.49Å; R401-F465 VanDerWaalsContact CB-CD1 3.49Å; R401-F465 HydrophobicContact CB-CE1 3.9Å; R401-F465 HydrophobicContact CB-CG 4.08Å; R401-F465 HydrophobicContact CG-CB 3.57Å; R401-F465 HydrophobicContact CG-CD1 3.65Å; R401-F465 HydrophobicContact CG-CE1 4.49Å; R401-F465 HydrophobicContact CG-CG 3.76Å
402	Y	98.6	Very high	96	Very high	47 Å²	47	29.4 Å²	29.4	18%	0.184	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-38	-179.3	-169.7	-110.3	0	0	0	112.2	V291 I295 E398 L400 H406	V291-Y402 HydrophobicContact CG1-CD1 4.07Å; I295-Y402 HydrophobicContact CB-CE1 4.07Å; I295-Y402 HydrophobicContact CD1-CD1 3.67Å; I295-Y402 HydrophobicContact CD1-CE1 3.75Å; I295-Y402 HydrophobicContact CG2-CE1 3.85Å; E398-Y402 WeakPolarHBondContact O-CB 3.49Å; E398-Y402 PolarHBondContact O-N 2.92Å; E398-Y402 VanDerWaalsContact O-N 3.08Å; L400-Y402 PolarHBondContact O-N 3.32Å; Y402-H406 PolarHBondContact O-N 3.08Å; Y402-H406 VanDerWaalsContact O-N 3.12Å
403	L	98.8	Very high	96.4	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-65	-45.9	173.9	-179.6	65.1	0	0	0	111.9	I295 L349 L353 T399 L400 R401 A405 H406 L407 F428 L432	I295-L403 HydrophobicContact CD1-CD1 4.25Å; L349-L403 HydrophobicContact CD2-CD1 4.41Å; L353-L403 HydrophobicContact CD1-CD2 3.81Å; T399-L403 WeakPolarHBondContact O-CB 3.44Å; T399-L403 PolarHBondContact O-N 3.3Å; T399-L403 VanDerWaalsContact O-N 3.08Å; L400-L403 PolarHBondContact O-N 3.07Å; R401-L403 VanDerWaalsContact C-N 3.31Å; R401-L403 PolarHBondContact O-N 3Å; L403-A405 VanDerWaalsContact C-N 3.33Å; L403-A405 PolarHBondContact O-N 3.39Å; L403-H406 WeakPolarHBondContact O-CB 3.39Å; L403-H406 PolarHBondContact O-N 2.68Å; L403-L407 HydrophobicContact CD1-CD1 4.37Å; L403-L407 HydrophobicContact CD1-CG 4.24Å; L403-L407 HydrophobicContact CG-CD1 4.17Å; L403-L407 HydrophobicContact CG-CG 4.37Å; L403-L407 WeakPolarHBondContact O-CG 3.22Å; L403-L407 PolarHBondContact O-N 3.39Å; L403-F428 HydrophobicContact CD1-CE1 4.24Å; L403-F428 HydrophobicContact CD1-CZ 4.4Å; L403-F428 HydrophobicContact CD2-CD1 4.21Å; L403-F428 HydrophobicContact CD2-CE1 4.15Å; L403-L432 HydrophobicContact CD2-CD1 3.97Å; L403-L432 HydrophobicContact CD2-CD2 3.71Å; L403-L432 HydrophobicContact CD2-CG 4.43Å
404	M	98.7	Very high	97	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.1	-41.7	178.9	-68	-56.9	102.1	0	0	111.1	L400 R401 H406 L407 K408 L432 V454 M457 I458 E461 F465	L400-M404 HydrophobicContact CD1-CE 3.88Å; L400-M404 HydrophobicContact CD1-CG 4.21Å; L400-M404 HydrophobicContact CG-CG 4.31Å; L400-M404 VanDerWaalsContact O-CG 3.31Å; L400-M404 WeakPolarHBondContact O-CG 3.27Å; L400-M404 PolarHBondContact O-N 2.74Å; R401-M404 PolarHBondContact O-N 2.93Å; M404-H406 VanDerWaalsContact C-N 3.32Å; M404-H406 PolarHBondContact O-N 3.09Å; M404-L407 HydrophobicContact CE-CD1 3.73Å; M404-L407 PolarHBondContact O-N 3.12Å; M404-K408 WeakPolarHBondContact O-CB 3.34Å; M404-K408 PolarHBondContact O-N 3.47Å; M404-L432 HydrophobicContact CE-CD1 3.82Å; M404-V454 HydrophobicContact CE-CG1 4.4Å; M404-M457 HydrophobicContact CG-CB 4.09Å; M404-M457 HydrophobicContact SD-CB 3.59Å; M404-M457 VanDerWaalsContact SD-CB 3.59Å; M404-I458 HydrophobicContact SD-CG1 3.77Å; M404-E461 HydrophobicContact CB-CG 3.91Å; M404-F465 HydrophobicContact CB-CE2 4.04Å; M404-F465 HydrophobicContact CG-CE2 3.81Å; M404-F465 HydrophobicContact CG-CZ 3.99Å
405	A	98.7	Very high	97.5	Very high	10 Å²	10	40.8 Å²	40.8	8%	0.083	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-42.2	174.8	0	0	0	0	0	112.2	R401 L403 R409 E461	R401-A405 PolarHBondContact O-N 3.06Å; L403-A405 VanDerWaalsContact C-N 3.33Å; L403-A405 PolarHBondContact O-N 3.39Å; A405-R409 WeakPolarHBondContact O-CG 3.43Å; A405-R409 PolarHBondContact O-N 3.36Å; A405-R409 VanDerWaalsContact O-N 3.1Å; A405-R409 PolarHBondContact O-NH1 2.86Å; A405-E461 HydrophobicContact CB-CG 4.46Å; A405-E461 VanDerWaalsContact CB-OE1 3.26Å; A405-E461 WeakPolarHBondContact CB-OE1 3.49Å
406	H	98.8	Very high	98.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.2	-48.9	174.2	169.9	64.2	0	0	0	111.9	I295 E299 Y309 Y402 L403 M404 K408 R409 V410	I295-H406 HydrophobicContact CD1-CB 4Å; I295-H406 HydrophobicContact CG1-CB 4.34Å; I295-H406 HydrophobicContact CG2-CB 3.88Å; E299-H406 WeakPolarHBondContact CG-ND1 3.43Å; E299-H406 IonicContact OE1-CE1 3.94Å; E299-H406 IonicContact OE1-CG 3.4Å; E299-H406 IonicContact OE1-ND1 3.56Å; E299-H406 PolarHBondContact OE1-ND1 2.82Å; Y309-H406 AromaticContact CE2-NE2 3.41Å; Y309-H406 WeakPolarHBondContact CE2-NE2 3.3Å; Y309-H406 AromaticContact CZ-CD2 3.98Å; Y309-H406 AromaticContact CZ-NE2 3.45Å; Y309-H406 PolarHBondContact OH-CD2 3.27Å; Y309-H406 PolarHBondContact OH-NE2 3.03Å; Y402-H406 PolarHBondContact O-N 3.08Å; Y402-H406 VanDerWaalsContact O-N 3.12Å; L403-H406 WeakPolarHBondContact O-CB 3.39Å; L403-H406 PolarHBondContact O-N 2.68Å; M404-H406 VanDerWaalsContact C-N 3.32Å; M404-H406 PolarHBondContact O-N 3.09Å; H406-K408 VanDerWaalsContact C-N 3.31Å; H406-K408 PolarHBondContact O-N 3.25Å; H406-R409 WeakPolarHBondContact O-CA 3.48Å; H406-R409 WeakPolarHBondContact O-CB 3.44Å; H406-R409 PolarHBondContact O-N 3.34Å; H406-R409 VanDerWaalsContact O-N 3.08Å; H406-V410 WeakPolarHBondContact O-CG2 3.44Å; H406-V410 PolarHBondContact O-N 3.28Å
407	L	98.8	Very high	98.3	Very high	0 Å²	0	47 Å²	47	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.4	-36.5	-180	-65.1	-176.9	0	0	0	111.7	Y309 L403 M404 R409 V410 T411 L424 F428 I458	Y309-L407 HydrophobicContact CD2-CD2 3.96Å; Y309-L407 HydrophobicContact CE2-CD2 3.63Å; L403-L407 HydrophobicContact CD1-CD1 4.37Å; L403-L407 HydrophobicContact CD1-CG 4.24Å; L403-L407 HydrophobicContact CG-CD1 4.17Å; L403-L407 HydrophobicContact CG-CG 4.37Å; L403-L407 WeakPolarHBondContact O-CG 3.22Å; L403-L407 PolarHBondContact O-N 3.39Å; M404-L407 HydrophobicContact CE-CD1 3.73Å; M404-L407 PolarHBondContact O-N 3.12Å; L407-R409 VanDerWaalsContact C-N 3.35Å; L407-R409 PolarHBondContact O-N 3.25Å; L407-V410 WeakPolarHBondContact O-CB 3.35Å; L407-V410 PolarHBondContact O-N 3.34Å; L407-V410 VanDerWaalsContact O-N 3.14Å; L407-T411 WeakPolarHBondContact O-CG2 3.29Å; L407-T411 PolarHBondContact O-N 3.47Å; L407-T411 VanDerWaalsContact O-N 3.11Å; L407-L424 HydrophobicContact CB-CD1 4.28Å; L407-L424 HydrophobicContact CD2-CD1 4.37Å; L407-L424 HydrophobicContact CD2-CD2 4.31Å; L407-F428 HydrophobicContact CD1-CD2 3.69Å; L407-F428 HydrophobicContact CD1-CE2 3.9Å; L407-F428 HydrophobicContact CD1-CG 4.04Å; L407-F428 HydrophobicContact CD1-CZ 4.4Å; L407-F428 HydrophobicContact CD2-CD2 4.19Å; L407-F428 HydrophobicContact CD2-CE2 3.6Å; L407-F428 HydrophobicContact CD2-CZ 4.11Å; L407-F428 HydrophobicContact CG-CE2 4.4Å; L407-I458 HydrophobicContact CB-CD1 3.98Å; L407-I458 HydrophobicContact CB-CG1 3.93Å; L407-I458 HydrophobicContact CB-CG2 4.44Å; L407-I458 HydrophobicContact CD1-CD1 3.87Å; L407-I458 HydrophobicContact CD1-CG1 4.23Å
408	K	98.6	Very high	98.3	Very high	69 Å²	69	48.4 Å²	48.4	30%	0.3	22%	0.22	S	C	.	.	H	α-helix	trans	-56.5	-48.9	169.7	-179	66.4	168.1	-160.6	0	110.5	M404 H406 V410 T411 T412 I458 E459 E461	M404-K408 WeakPolarHBondContact O-CB 3.34Å; M404-K408 PolarHBondContact O-N 3.47Å; H406-K408 VanDerWaalsContact C-N 3.31Å; H406-K408 PolarHBondContact O-N 3.25Å; K408-V410 VanDerWaalsContact C-N 3.31Å; K408-V410 PolarHBondContact O-N 2.94Å; K408-T411 PolarHBondContact O-N 3.4Å; K408-T411 VanDerWaalsContact O-N 3.15Å; K408-T411 PolarHBondContact O-OG1 3.24Å; K408-T412 PolarHBondContact O-N 3Å; K408-I458 VanDerWaalsContact CD-O 3.3Å; K408-I458 WeakPolarHBondContact CD-O 3.18Å; K408-E459 PolarHBondContact NZ-O 3.25Å; K408-E461 HydrophobicContact CB-CB 4.34Å
409	R	98.6	Very high	98.4	Very high	88 Å²	88	46.6 Å²	46.6	33%	0.332	21%	0.212	S	C	.	.	H	α-helix	trans	-57.4	-41.9	174.6	-71.6	-173.2	-68.5	-82.7	7.1	112.2	E299 M303 A405 H406 L407 T411 T412 F413	E299-R409 IonicContact OE1-CZ 3.78Å; E299-R409 IonicContact OE1-NE 3.75Å; E299-R409 PolarHBondContact OE1-NE 2.62Å; E299-R409 IonicContact OE1-NH2 3.53Å; E299-R409 PolarHBondContact OE1-NH2 2.87Å; E299-R409 IonicContact OE2-CZ 2.7Å; E299-R409 IonicContact OE2-NE 3.66Å; E299-R409 IonicContact OE2-NH2 3.27Å; M303-R409 HydrophobicContact CE-CB 3.9Å; A405-R409 WeakPolarHBondContact O-CG 3.43Å; A405-R409 PolarHBondContact O-N 3.36Å; A405-R409 VanDerWaalsContact O-N 3.1Å; A405-R409 PolarHBondContact O-NH1 2.86Å; H406-R409 WeakPolarHBondContact O-CA 3.48Å; H406-R409 WeakPolarHBondContact O-CB 3.44Å; H406-R409 PolarHBondContact O-N 3.34Å; H406-R409 VanDerWaalsContact O-N 3.08Å; L407-R409 VanDerWaalsContact C-N 3.35Å; L407-R409 PolarHBondContact O-N 3.25Å; R409-T411 VanDerWaalsContact C-N 3.28Å; R409-T411 PolarHBondContact O-N 3.36Å; R409-T412 WeakPolarHBondContact O-CB 3.43Å; R409-T412 PolarHBondContact O-N 3.33Å; R409-T412 PolarHBondContact O-OG1 3.4Å; R409-F413 WeakPolarHBondContact O-CD2 3.36Å
410	V	98.6	Very high	98.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56.7	-42.3	177.1	172.9	0	0	0	0	111.6	M303 L308 Y309 H406 L407 K408 T412 F413 N417 M419 L424	M303-V410 HydrophobicContact CE-CB 4.39Å; M303-V410 HydrophobicContact CE-CG2 3.86Å; M303-V410 HydrophobicContact SD-CG2 4.03Å; L308-V410 HydrophobicContact CD2-CG1 4.03Å; L308-V410 HydrophobicContact CD2-CG2 3.97Å; Y309-V410 HydrophobicContact CE2-CG2 4.29Å; H406-V410 WeakPolarHBondContact O-CG2 3.44Å; H406-V410 PolarHBondContact O-N 3.28Å; L407-V410 WeakPolarHBondContact O-CB 3.35Å; L407-V410 PolarHBondContact O-N 3.34Å; L407-V410 VanDerWaalsContact O-N 3.14Å; K408-V410 VanDerWaalsContact C-N 3.31Å; K408-V410 PolarHBondContact O-N 2.94Å; V410-T412 PolarHBondContact O-N 3.35Å; V410-F413 PolarHBondContact O-N 2.9Å; V410-N417 PolarHBondContact O-ND2 3.38Å; V410-M419 HydrophobicContact CG1-CB 4.31Å; V410-L424 HydrophobicContact CB-CD1 4.31Å; V410-L424 HydrophobicContact CG1-CD1 4.08Å
411	T	98.5	Very high	98.4	Very high	26 Å²	26	49 Å²	49	16%	0.16	23%	0.226	C	C	.	.	H	α-helix	trans	-62.3	-27.3	178.2	67.5	0	0	0	0	113.5	L407 K408 R409 F413 E414 A421 L424 I458	L407-T411 WeakPolarHBondContact O-CG2 3.29Å; L407-T411 PolarHBondContact O-N 3.47Å; L407-T411 VanDerWaalsContact O-N 3.11Å; K408-T411 PolarHBondContact O-N 3.4Å; K408-T411 VanDerWaalsContact O-N 3.15Å; K408-T411 PolarHBondContact O-OG1 3.24Å; R409-T411 VanDerWaalsContact C-N 3.28Å; R409-T411 PolarHBondContact O-N 3.36Å; T411-F413 PolarHBondContact O-N 2.91Å; T411-E414 VanDerWaalsContact O-CB 3.29Å; T411-E414 WeakPolarHBondContact O-CB 3.23Å; T411-E414 PolarHBondContact O-N 2.84Å; T411-E414 VanDerWaalsContact O-N 3.1Å; T411-A421 HydrophobicContact CG2-CB 4.31Å; T411-L424 HydrophobicContact CG2-CD1 3.83Å; T411-I458 HydrophobicContact CG2-CG2 3.88Å
412	T	98.2	Very high	98.4	Very high	101 Å²	101	49.7 Å²	49.7	62%	0.62	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.5	175.6	71.9	0	0	0	0	113.4	K408 R409 V410	K408-T412 PolarHBondContact O-N 3Å; R409-T412 WeakPolarHBondContact O-CB 3.43Å; R409-T412 PolarHBondContact O-N 3.33Å; R409-T412 PolarHBondContact O-OG1 3.4Å; V410-T412 PolarHBondContact O-N 3.35Å
413	F	98.3	Very high	98.4	Very high	65 Å²	65	49.5 Å²	49.5	29%	0.285	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	15.1	175.7	-67.3	-95.5	0	0	0	112.9	M303 K304 R409 V410 T411 K415 Y416 N417	M303-F413 HydrophobicContact CB-CD1 4.35Å; M303-F413 HydrophobicContact CB-CD2 4.15Å; M303-F413 HydrophobicContact CB-CE1 4.46Å; M303-F413 HydrophobicContact CB-CE2 4.28Å; M303-F413 HydrophobicContact CB-CG 4.19Å; M303-F413 HydrophobicContact CB-CZ 4.43Å; M303-F413 HydrophobicContact CE-CD2 3.74Å; M303-F413 HydrophobicContact CE-CE2 3.86Å; M303-F413 WeakPolarHBondContact O-CB 3.19Å; K304-F413 HydrophobicContact CG-CD1 3.88Å; K304-F413 HydrophobicContact CG-CE1 4.41Å; R409-F413 WeakPolarHBondContact O-CD2 3.36Å; V410-F413 PolarHBondContact O-N 2.9Å; T411-F413 PolarHBondContact O-N 2.91Å; F413-K415 PolarHBondContact O-N 2.73Å; F413-Y416 HydrophobicContact CD1-CD2 4.45Å; F413-Y416 PolarHBondContact O-N 3.5Å; F413-N417 WeakPolarHBondContact CB-ND2 3.17Å; F413-N417 PolarHBondContact O-N 3.42Å; F413-N417 PolarHBondContact O-ND2 2.65Å; F413-N417 PolarHBondContact O-OD1 2.94Å
414	E	97.6	Very high	98.4	Very high	84 Å²	84	49.4 Å²	49.4	39%	0.393	23%	0.234	S	C	.	.	H	α-helix	trans	-49.9	-35.7	-178.4	179.5	179.3	-175.2	0	0	113.1	T411 Y416 N417 L418 N420	T411-E414 VanDerWaalsContact O-CB 3.29Å; T411-E414 WeakPolarHBondContact O-CB 3.23Å; T411-E414 PolarHBondContact O-N 2.84Å; T411-E414 VanDerWaalsContact O-N 3.1Å; E414-Y416 PolarHBondContact O-N 2.95Å; E414-N417 WeakPolarHBondContact CA-OD1 3.43Å; E414-L418 VanDerWaalsContact O-CA 3.24Å; E414-L418 WeakPolarHBondContact O-CA 3.32Å; E414-L418 PolarHBondContact O-N 2.9Å; E414-N420 HydrophobicContact CG-CB 4.46Å; E414-N420 WeakPolarHBondContact OE1-CB 3.22Å; E414-N420 PolarHBondContact OE1-ND2 3.26Å
415	K	98.2	Very high	98.3	Very high	191 Å²	191	49.4 Å²	49.4	83%	0.83	23%	0.234	S	C	*	.	H	α-helix	trans	-56.6	-23.7	176.9	-64.8	-177.4	180	179	0	114.2	F413	F413-K415 PolarHBondContact O-N 2.73Å
416	Y	98.3	Very high	98.2	Very high	140 Å²	140	53.2 Å²	53.2	55%	0.549	25%	0.252	S	S	.	.	H	α-helix	trans	-109.9	-50.7	179.9	-57.6	-77.6	0	0	0	111.6	K304 F413 E414	K304-Y416 HydrophobicContact CB-CG 4.44Å; K304-Y416 HydrophobicContact CD-CD2 4.36Å; K304-Y416 HydrophobicContact CD-CG 4.31Å; K304-Y416 HydrophobicContact CG-CD2 4.22Å; K304-Y416 HydrophobicContact CG-CG 4.17Å; F413-Y416 HydrophobicContact CD1-CD2 4.45Å; F413-Y416 PolarHBondContact O-N 3.5Å; E414-Y416 PolarHBondContact O-N 2.95Å
417	N	98.1	Very high	98.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-84.1	-13	-174.2	65.8	33.3	0	0	0	113.6	M303 S305 G307 V410 F413 E414 M419	M303-N417 PolarHBondContact O-ND2 3.02Å; S305-N417 WeakPolarHBondContact O-CA 3.22Å; S305-N417 WeakPolarHBondContact O-CB 3.45Å; G307-N417 PolarHBondContact N-O 3.26Å; V410-N417 PolarHBondContact O-ND2 3.38Å; F413-N417 WeakPolarHBondContact CB-ND2 3.17Å; F413-N417 PolarHBondContact O-N 3.42Å; F413-N417 PolarHBondContact O-ND2 2.65Å; F413-N417 PolarHBondContact O-OD1 2.94Å; E414-N417 WeakPolarHBondContact CA-OD1 3.43Å; N417-M419 WeakPolarHBondContact O-CG 3.42Å; N417-M419 PolarHBondContact O-N 3.4Å; N417-M419 WeakPolarHBondContact OD1-CB 3.3Å; N417-M419 PolarHBondContact OD1-N 3.42Å
418	L	98.2	Very high	98.1	Very high	80 Å²	80	54.4 Å²	54.4	42%	0.419	26%	0.259	S	S	.	.			trans	62.1	22.7	-178.9	-46.5	-179.4	0	0	0	114.6	E306 E414 N423	E306-L418 HydrophobicContact CG-CD1 3.76Å; E306-L418 HydrophobicContact CG-CG 4.18Å; E414-L418 VanDerWaalsContact O-CA 3.24Å; E414-L418 WeakPolarHBondContact O-CA 3.32Å; E414-L418 PolarHBondContact O-N 2.9Å; L418-N423 PolarHBondContact O-ND2 2.86Å; L418-N423 VanDerWaalsContact O-ND2 3.14Å
419	M	98.4	Very high	97.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.245	C	C	.	.			trans	-114.3	99.2	-176.5	-62.7	-59.1	-64.4	0	0	111.8	L308 R310 V410 N417 N423 L424	L308-M419 WeakPolarHBondContact O-CE 3.31Å; L308-M419 WeakPolarHBondContact O-CG 3.27Å; R310-M419 HydrophobicContact CB-CE 3.88Å; R310-M419 HydrophobicContact CB-SD 3.93Å; V410-M419 HydrophobicContact CG1-CB 4.31Å; N417-M419 WeakPolarHBondContact O-CG 3.42Å; N417-M419 PolarHBondContact O-N 3.4Å; N417-M419 WeakPolarHBondContact OD1-CB 3.3Å; N417-M419 PolarHBondContact OD1-N 3.42Å; M419-N423 HydrophobicContact CE-CB 3.73Å; M419-N423 HydrophobicContact SD-CB 4.15Å; M419-L424 HydrophobicContact CB-CD2 4.26Å; M419-L424 HydrophobicContact CB-CG 4.26Å; M419-L424 HydrophobicContact CE-CD2 3.64Å; M419-L424 HydrophobicContact CE-CG 4.08Å
420	N	98.4	Very high	97.6	Very high	43 Å²	43	49.8 Å²	49.8	23%	0.23	25%	0.248	C	C	.	.			trans	-85.8	176	165.9	55.6	40.1	0	0	0	112.6	E414 E422 N423 L424	E414-N420 HydrophobicContact CG-CB 4.46Å; E414-N420 WeakPolarHBondContact OE1-CB 3.22Å; E414-N420 PolarHBondContact OE1-ND2 3.26Å; N420-E422 VanDerWaalsContact C-N 3.27Å; N420-E422 PolarHBondContact O-N 3.13Å; N420-E422 WeakPolarHBondContact OD1-CB 3.29Å; N420-E422 PolarHBondContact OD1-N 3.39Å; N420-N423 PolarHBondContact O-N 3.05Å; N420-N423 WeakPolarHBondContact OD1-CB 3.23Å; N420-N423 PolarHBondContact OD1-N 3.03Å; N420-L424 WeakPolarHBondContact O-CG 3.36Å; N420-L424 PolarHBondContact O-N 2.96Å
421	A	98.3	Very high	97.3	Very high	8 Å²	8	50.5 Å²	50.5	7%	0.066	25%	0.252	C	S	.	.	H	α-helix	trans	-59	-36.3	179	0	0	0	0	0	112.8	T411 L424 G425 Q455 I458 E459	T411-A421 HydrophobicContact CG2-CB 4.31Å; A421-L424 PolarHBondContact O-N 3.3Å; A421-G425 PolarHBondContact O-N 3.19Å; A421-Q455 HydrophobicContact CB-CG 4.05Å; A421-I458 HydrophobicContact CB-CB 4.1Å; A421-I458 HydrophobicContact CB-CG2 3.83Å; A421-E459 HydrophobicContact CB-CG 3.62Å
422	E	97.9	Very high	97.1	Very high	89 Å²	89	49.2 Å²	49.2	42%	0.416	24%	0.244	S	C	.	.	H	α-helix	trans	-64.4	-46.8	176.7	-173.3	-179.8	175	0	0	111.6	N420 G425 I426 K451	N420-E422 VanDerWaalsContact C-N 3.27Å; N420-E422 PolarHBondContact O-N 3.13Å; N420-E422 WeakPolarHBondContact OD1-CB 3.29Å; N420-E422 PolarHBondContact OD1-N 3.39Å; E422-G425 PolarHBondContact O-N 3.11Å; E422-I426 WeakPolarHBondContact O-CG1 3.45Å; E422-I426 PolarHBondContact O-N 3Å; E422-K451 VanDerWaalsContact CG-NZ 3.25Å; E422-K451 IonicContact OE1-NZ 2.77Å; E422-K451 PolarHBondContact OE1-NZ 2.84Å
423	N	98.1	Very high	96.6	Very high	43 Å²	43	44.5 Å²	44.5	23%	0.23	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-41.4	178	-74.7	-14	0	0	0	111.6	L418 M419 N420 I426	L418-N423 PolarHBondContact O-ND2 2.86Å; L418-N423 VanDerWaalsContact O-ND2 3.14Å; M419-N423 HydrophobicContact CE-CB 3.73Å; M419-N423 HydrophobicContact SD-CB 4.15Å; N420-N423 PolarHBondContact O-N 3.05Å; N420-N423 WeakPolarHBondContact OD1-CB 3.23Å; N420-N423 PolarHBondContact OD1-N 3.03Å; N423-I426 WeakPolarHBondContact O-CB 3.37Å; N423-I426 PolarHBondContact O-N 3.45Å
424	L	98.4	Very high	95.8	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-68.1	-36.3	175.7	-69	170.7	0	0	0	111.8	Y309 L407 V410 T411 M419 N420 A421 I426 V427 F428 I458	Y309-L424 HydrophobicContact CD2-CD2 3.96Å; Y309-L424 HydrophobicContact CG-CD2 4.5Å; L407-L424 HydrophobicContact CB-CD1 4.28Å; L407-L424 HydrophobicContact CD2-CD1 4.37Å; L407-L424 HydrophobicContact CD2-CD2 4.31Å; V410-L424 HydrophobicContact CB-CD1 4.31Å; V410-L424 HydrophobicContact CG1-CD1 4.08Å; T411-L424 HydrophobicContact CG2-CD1 3.83Å; M419-L424 HydrophobicContact CB-CD2 4.26Å; M419-L424 HydrophobicContact CB-CG 4.26Å; M419-L424 HydrophobicContact CE-CD2 3.64Å; M419-L424 HydrophobicContact CE-CG 4.08Å; N420-L424 WeakPolarHBondContact O-CG 3.36Å; N420-L424 PolarHBondContact O-N 2.96Å; A421-L424 PolarHBondContact O-N 3.3Å; L424-I426 VanDerWaalsContact C-N 3.27Å; L424-I426 PolarHBondContact O-N 3.47Å; L424-V427 PolarHBondContact O-N 2.82Å; L424-V427 VanDerWaalsContact O-N 3.1Å; L424-F428 PolarHBondContact O-N 3.47Å; L424-I458 HydrophobicContact CB-CD1 3.76Å; L424-I458 HydrophobicContact CD1-CD1 4.44Å
425	G	97.8	Very high	94.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.4	-36	173.9	0	0	0	0	0	112.8	A421 E422 V427 G429	A421-G425 PolarHBondContact O-N 3.19Å; E422-G425 PolarHBondContact O-N 3.11Å; G425-V427 VanDerWaalsContact C-N 3.31Å; G425-V427 PolarHBondContact O-N 2.84Å; G425-G429 WeakPolarHBondContact O-CA 3.4Å; G425-G429 PolarHBondContact O-N 3.29Å
426	I	96.4	Very high	93.3	Very high	91 Å²	91	35.9 Å²	35.9	47%	0.467	19%	0.188	S	C	.	.	H	α-helix	trans	-62	-41.1	174.7	-65.7	166.2	0	0	0	110.9	E422 N423 L424 P430 K451	E422-I426 WeakPolarHBondContact O-CG1 3.45Å; E422-I426 PolarHBondContact O-N 3Å; N423-I426 WeakPolarHBondContact O-CB 3.37Å; N423-I426 PolarHBondContact O-N 3.45Å; L424-I426 VanDerWaalsContact C-N 3.27Å; L424-I426 PolarHBondContact O-N 3.47Å; I426-P430 WeakPolarHBondContact O-CD 3.17Å; I426-K451 HydrophobicContact CD1-CD 4.46Å; I426-K451 HydrophobicContact CG1-CD 3.57Å; I426-K451 HydrophobicContact CG1-CG 4.04Å
427	V	97	Very high	91.7	Very high	25 Å²	25	36 Å²	36	15%	0.152	19%	0.194	C	C	.	.	H	α-helix	trans	-76	-47.6	-177.2	179.8	0	0	0	0	111.2	Y309 R310 K350 L424 G425 T431	Y309-V427 WeakPolarHBondContact O-CG1 3.4Å; R310-V427 HydrophobicContact CB-CG2 4.38Å; K350-V427 HydrophobicContact CD-CG1 3.63Å; L424-V427 PolarHBondContact O-N 2.82Å; L424-V427 VanDerWaalsContact O-N 3.1Å; G425-V427 VanDerWaalsContact C-N 3.31Å; G425-V427 PolarHBondContact O-N 2.84Å; V427-T431 PolarHBondContact O-OG1 3.49Å
428	F	97.9	Very high	89.9	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-89.9	-21.9	-170.9	-81.3	-80.2	0	0	0	114.2	Y309 K350 L353 L403 L407 L424 T431 L432 V454	Y309-F428 AromaticContact CD1-CE2 3.81Å; Y309-F428 HydrophobicContact CD1-CE2 3.81Å; Y309-F428 AromaticContact CD1-CZ 3.64Å; Y309-F428 HydrophobicContact CD1-CZ 3.64Å; Y309-F428 AromaticContact CD2-CE2 3.99Å; Y309-F428 HydrophobicContact CD2-CE2 3.99Å; Y309-F428 HydrophobicContact CD2-CZ 4.44Å; Y309-F428 HydrophobicContact CE1-CE2 4.26Å; Y309-F428 AromaticContact CE1-CZ 3.77Å; Y309-F428 HydrophobicContact CE1-CZ 3.77Å; Y309-F428 HydrophobicContact CE2-CE2 4.41Å; Y309-F428 AromaticContact CG-CE2 3.67Å; Y309-F428 HydrophobicContact CG-CE2 3.67Å; Y309-F428 HydrophobicContact CG-CZ 4Å; K350-F428 HydrophobicContact CG-CE1 4.19Å; K350-F428 HydrophobicContact CG-CZ 4.12Å; L353-F428 HydrophobicContact CD1-CD1 4.47Å; L353-F428 HydrophobicContact CD1-CE1 3.93Å; L403-F428 HydrophobicContact CD1-CE1 4.24Å; L403-F428 HydrophobicContact CD1-CZ 4.4Å; L403-F428 HydrophobicContact CD2-CD1 4.21Å; L403-F428 HydrophobicContact CD2-CE1 4.15Å; L407-F428 HydrophobicContact CD1-CD2 3.69Å; L407-F428 HydrophobicContact CD1-CE2 3.9Å; L407-F428 HydrophobicContact CD1-CG 4.04Å; L407-F428 HydrophobicContact CD1-CZ 4.4Å; L407-F428 HydrophobicContact CD2-CD2 4.19Å; L407-F428 HydrophobicContact CD2-CE2 3.6Å; L407-F428 HydrophobicContact CD2-CZ 4.11Å; L407-F428 HydrophobicContact CG-CE2 4.4Å; L424-F428 PolarHBondContact O-N 3.47Å; F428-T431 HydrophobicContact CD1-CG2 4.4Å; F428-T431 PolarHBondContact O-N 2.93Å; F428-T431 VanDerWaalsContact O-N 3.08Å; F428-L432 HydrophobicContact CB-CD1 4Å; F428-L432 HydrophobicContact CB-CG 4.28Å; F428-L432 HydrophobicContact CD1-CD1 4.26Å; F428-L432 HydrophobicContact CD1-CD2 4.41Å; F428-L432 HydrophobicContact CD1-CG 4.18Å; F428-L432 WeakPolarHBondContact O-CB 3.46Å; F428-L432 WeakPolarHBondContact O-CG 3.29Å; F428-L432 PolarHBondContact O-N 2.98Å; F428-V454 HydrophobicContact CB-CG1 3.85Å
429	G	95.4	Very high	88.2	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-47	-63	173.5	0	0	0	0	0	113.2	G425 T431 M433	G425-G429 WeakPolarHBondContact O-CA 3.4Å; G425-G429 PolarHBondContact O-N 3.29Å; G429-T431 PolarHBondContact O-N 2.87Å; G429-M433 WeakPolarHBondContact O-CB 3.34Å; G429-M433 PolarHBondContact O-N 2.94Å; G429-M433 VanDerWaalsContact O-N 3.12Å
430	P	91.4	Very high	86.5	Confident	60 Å²	60	48.1 Å²	48.1	39%	0.39	26%	0.262	S	S	.	.	H	α-helix	trans	-72.4	-15.2	178.5	29.3	-36.1	0	0	0	113.9	I426	I426-P430 WeakPolarHBondContact O-CD 3.17Å
431	T	91.8	Very high	85.2	Confident	14 Å²	14	51.5 Å²	51.5	9%	0.086	28%	0.279	C	S	.	.	H	α-helix	trans	-80.6	-39.1	178.5	-59	0	0	0	0	111.2	L353 R354 V427 F428 G429	L353-T431 HydrophobicContact CB-CG2 3.91Å; R354-T431 HydrophobicContact CB-CG2 4.39Å; V427-T431 PolarHBondContact O-OG1 3.49Å; F428-T431 HydrophobicContact CD1-CG2 4.4Å; F428-T431 PolarHBondContact O-N 2.93Å; F428-T431 VanDerWaalsContact O-N 3.08Å; G429-T431 PolarHBondContact O-N 2.87Å
432	L	94.3	Very high	83.8	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-93.6	-22.2	-174.6	-61.8	177.7	0	0	0	113.3	L353 V360 I361 L400 L403 M404 F428 V454	L353-L432 HydrophobicContact CB-CD2 4.43Å; L353-L432 HydrophobicContact CD1-CD2 4.06Å; V360-L432 HydrophobicContact CB-CD2 4Å; V360-L432 HydrophobicContact CG1-CD2 4.48Å; V360-L432 HydrophobicContact CG2-CD2 3.86Å; I361-L432 PolarHBondContact N-O 3.38Å; I361-L432 VanDerWaalsContact N-O 3.08Å; L400-L432 HydrophobicContact CD1-CD1 4.01Å; L403-L432 HydrophobicContact CD2-CD1 3.97Å; L403-L432 HydrophobicContact CD2-CD2 3.71Å; L403-L432 HydrophobicContact CD2-CG 4.43Å; M404-L432 HydrophobicContact CE-CD1 3.82Å; F428-L432 HydrophobicContact CB-CD1 4Å; F428-L432 HydrophobicContact CB-CG 4.28Å; F428-L432 HydrophobicContact CD1-CD1 4.26Å; F428-L432 HydrophobicContact CD1-CD2 4.41Å; F428-L432 HydrophobicContact CD1-CG 4.18Å; F428-L432 WeakPolarHBondContact O-CB 3.46Å; F428-L432 WeakPolarHBondContact O-CG 3.29Å; F428-L432 PolarHBondContact O-N 2.98Å; L432-V454 HydrophobicContact CD1-CG1 4.47Å; L432-V454 HydrophobicContact CD1-CG2 4.16Å
433	M	89.3	Confident	82.5	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.005	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-125.3	130.1	-177.1	-58.2	-177.3	71.3	0	0	110.3	I361 Y366 F369 I370 G429 Q450 V453	I361-M433 HydrophobicContact CB-CG 3.88Å; I361-M433 HydrophobicContact CD1-CE 4.48Å; I361-M433 HydrophobicContact CD1-CG 3.47Å; I361-M433 VanDerWaalsContact CD1-CG 3.47Å; I361-M433 HydrophobicContact CD1-SD 3.78Å; I361-M433 HydrophobicContact CG1-CG 4.19Å; I361-M433 HydrophobicContact CG2-CE 4.17Å; I361-M433 HydrophobicContact CG2-CG 4.15Å; Y366-M433 HydrophobicContact CD2-CB 4.04Å; Y366-M433 HydrophobicContact CD2-CE 3.98Å; Y366-M433 HydrophobicContact CE2-CB 4.03Å; Y366-M433 HydrophobicContact CE2-CE 4.23Å; F369-M433 HydrophobicContact CB-CE 3.52Å; F369-M433 HydrophobicContact CG-CE 4.39Å; I370-M433 HydrophobicContact CD1-CE 3.88Å; I370-M433 HydrophobicContact CG1-CE 4.26Å; G429-M433 WeakPolarHBondContact O-CB 3.34Å; G429-M433 PolarHBondContact O-N 2.94Å; G429-M433 VanDerWaalsContact O-N 3.12Å; M433-Q450 HydrophobicContact CB-CG 4.2Å; M433-Q450 HydrophobicContact SD-CB 4.34Å; M433-Q450 HydrophobicContact SD-CG 4.29Å; M433-V453 HydrophobicContact SD-CB 4.16Å; M433-V453 HydrophobicContact SD-CG1 4.06Å
434	Q	81.1	Confident	81.3	Confident	55 Å²	55	54.4 Å²	54.4	26%	0.257	30%	0.299	S	S	.	.			trans	-131.8	136.8	172.5	-62.4	178.4	10.4	0	0	108.9	P359 F363 Y366	P359-Q434 HydrophobicContact CG-CB 4.36Å; F363-Q434 WeakPolarHBondContact CD1-O 3.28Å; F363-Q434 HydrophobicContact CE1-CB 3.96Å; Y366-Q434 VanDerWaalsContact CD2-O 3.24Å; Y366-Q434 WeakPolarHBondContact CD2-O 3.42Å
435	P	75.9	Confident	80.5	Confident	16 Å²	16	60 Å²	60	10%	0.104	33%	0.329	C	S	.	.			trans	-64.7	143.9	174.1	25.2	-30.2	0	0	0	110.3	Y366 E437 T442 T443	Y366-P435 HydrophobicContact CE1-CB 3.95Å; Y366-P435 HydrophobicContact CE2-CB 4.39Å; P435-E437 PolarHBondContact O-N 3.44Å; P435-T442 HydrophobicContact CB-CG2 4.43Å; P435-T443 VanDerWaalsContact CG-OG1 3.29Å; P435-T443 WeakPolarHBondContact CG-OG1 3.05Å
436	P	67.4	Low	80	Confident	88 Å²	88	60.9 Å²	60.9	57%	0.571	33%	0.334	S	S	*	.	S	Bend	trans	-62.5	-29.5	-178.8	20.9	-30.8	0	0	0	113.3	F363	F363-P436 HydrophobicContact CB-CB 4.22Å; F363-P436 HydrophobicContact CD1-CB 4.25Å
437	E	64.9	Low	79.5	Confident	144 Å²	144	61 Å²	61	67%	0.673	33%	0.334	S	S	*	.	S	Bend	trans	-101.9	128.5	170.2	-65.6	-179.8	-177.4	0	0	108.8	P435 N439	P435-E437 PolarHBondContact O-N 3.44Å; E437-N439 PolarHBondContact O-N 3.33Å
438	Q	59.2	Low	79.3	Confident	199 Å²	199	69.5 Å²	69.5	93%	0.93	36%	0.363	S	S	*	.			trans	-71.6	50.3	174.1	-71.1	-179.8	-9.7	0	0	111.8
439	N	63.2	Low	79.2	Confident	66 Å²	66	71.2 Å²	71.2	35%	0.353	37%	0.371	S	S	.	.			trans	-86.7	113.7	170.1	-170.4	-16.4	0	0	0	108.6	E437 L441 T442 T443	E437-N439 PolarHBondContact O-N 3.33Å; N439-L441 PolarHBondContact O-N 2.8Å; N439-L441 WeakPolarHBondContact OD1-CB 3.39Å; N439-L441 PolarHBondContact OD1-N 3.45Å; N439-T442 PolarHBondContact O-N 3.22Å; N439-T443 PolarHBondContact O-N 2.94Å; N439-T443 VanDerWaalsContact O-N 3.09Å; N439-T443 PolarHBondContact O-OG1 2.95Å; N439-T443 VanDerWaalsContact O-OG1 3.09Å
440	A	62.3	Low	79.1	Confident	69 Å²	69	71.3 Å²	71.3	57%	0.57	37%	0.371	S	S	*	.	H	α-helix	trans	-56.5	-34.7	178.3	0	0	0	0	0	112	T443 L444	A440-T443 PolarHBondContact O-N 2.84Å; A440-L444 VanDerWaalsContact O-CG 3.24Å; A440-L444 WeakPolarHBondContact O-CG 3.19Å; A440-L444 PolarHBondContact O-N 2.8Å
441	L	70.6	Confident	79.3	Confident	113 Å²	113	70.6 Å²	70.6	59%	0.592	36%	0.362	S	S	*	.	H	α-helix	trans	-67.5	-43.6	179	-66.8	168.5	0	0	0	112.1	N439 T443 L444 N445	N439-L441 PolarHBondContact O-N 2.8Å; N439-L441 WeakPolarHBondContact OD1-CB 3.39Å; N439-L441 PolarHBondContact OD1-N 3.45Å; L441-T443 VanDerWaalsContact C-N 3.32Å; L441-T443 PolarHBondContact O-N 2.93Å; L441-L444 PolarHBondContact O-N 3.13Å; L441-N445 WeakPolarHBondContact O-CB 3.48Å; L441-N445 PolarHBondContact O-N 3.36Å; L441-N445 PolarHBondContact O-ND2 2.85Å
442	T	70.2	Confident	79.6	Confident	49 Å²	49	71.9 Å²	71.9	30%	0.301	37%	0.368	S	S	.	.	H	α-helix	trans	-63.2	-42.4	176.7	-51	0	0	0	0	110.8	P435 N439 L444 N445 D446	P435-T442 HydrophobicContact CB-CG2 4.43Å; N439-T442 PolarHBondContact O-N 3.22Å; T442-L444 PolarHBondContact O-N 3.18Å; T442-N445 PolarHBondContact O-N 3.29Å; T442-D446 WeakPolarHBondContact O-CB 3.21Å; T442-D446 PolarHBondContact O-N 3.42Å; T442-D446 VanDerWaalsContact O-N 3.09Å
443	T	69.6	Low	79.8	Confident	44 Å²	44	71.9 Å²	71.9	27%	0.27	37%	0.368	S	S	.	.	H	α-helix	trans	-57.3	-52.9	175.8	-52.9	0	0	0	0	110.4	P435 N439 A440 L441 N445 D446 M447	P435-T443 VanDerWaalsContact CG-OG1 3.29Å; P435-T443 WeakPolarHBondContact CG-OG1 3.05Å; N439-T443 PolarHBondContact O-N 2.94Å; N439-T443 VanDerWaalsContact O-N 3.09Å; N439-T443 PolarHBondContact O-OG1 2.95Å; N439-T443 VanDerWaalsContact O-OG1 3.09Å; A440-T443 PolarHBondContact O-N 2.84Å; L441-T443 VanDerWaalsContact C-N 3.32Å; L441-T443 PolarHBondContact O-N 2.93Å; T443-N445 VanDerWaalsContact C-N 3.35Å; T443-N445 PolarHBondContact O-N 3.01Å; T443-D446 PolarHBondContact O-N 2.89Å; T443-M447 WeakPolarHBondContact O-CG 3.34Å; T443-M447 PolarHBondContact O-N 3.33Å
444	L	74.2	Confident	80.2	Confident	108 Å²	108	71.8 Å²	71.8	57%	0.565	37%	0.368	S	S	*	.	H	α-helix	trans	-59.6	-42.2	-179.3	-72	169.5	0	0	0	112.7	A440 L441 T442 D446 M447	A440-L444 VanDerWaalsContact O-CG 3.24Å; A440-L444 WeakPolarHBondContact O-CG 3.19Å; A440-L444 PolarHBondContact O-N 2.8Å; L441-L444 PolarHBondContact O-N 3.13Å; T442-L444 PolarHBondContact O-N 3.18Å; L444-D446 VanDerWaalsContact C-N 3.34Å; L444-D446 PolarHBondContact O-N 3.24Å; L444-M447 HydrophobicContact CD2-SD 3.94Å
445	N	80.5	Confident	81	Confident	118 Å²	118	70.7 Å²	70.7	63%	0.631	36%	0.363	S	S	*	.	H	α-helix	trans	-67.8	-33.8	-178.7	-72.3	-22.5	0	0	0	112.9	L441 T442 T443 Q449	L441-N445 WeakPolarHBondContact O-CB 3.48Å; L441-N445 PolarHBondContact O-N 3.36Å; L441-N445 PolarHBondContact O-ND2 2.85Å; T442-N445 PolarHBondContact O-N 3.29Å; T443-N445 VanDerWaalsContact C-N 3.35Å; T443-N445 PolarHBondContact O-N 3.01Å; N445-Q449 PolarHBondContact O-OE1 2.93Å
446	D	86.8	Confident	82.1	Confident	19 Å²	19	70.5 Å²	70.5	10%	0.102	36%	0.361	C	S	.	.	H	α-helix	trans	-95.1	-5.7	-177.5	-72.6	-25.2	0	0	0	113.5	Y366 I370 K374 T442 T443 L444 R448 Q449 Q450	Y366-D446 VanDerWaalsContact OH-CB 3.23Å; Y366-D446 WeakPolarHBondContact OH-CB 3.5Å; Y366-D446 PolarHBondContact OH-OD2 3.16Å; I370-D446 HydrophobicContact CD1-CB 4.07Å; I370-D446 HydrophobicContact CG1-CB 4.46Å; I370-D446 HydrophobicContact CG2-CB 4.4Å; I370-D446 WeakPolarHBondContact CG2-OD1 3.5Å; K374-D446 IonicContact NZ-OD1 2.77Å; K374-D446 PolarHBondContact NZ-OD1 2.85Å; K374-D446 VanDerWaalsContact NZ-OD1 3.14Å; T442-D446 WeakPolarHBondContact O-CB 3.21Å; T442-D446 PolarHBondContact O-N 3.42Å; T442-D446 VanDerWaalsContact O-N 3.09Å; T443-D446 PolarHBondContact O-N 2.89Å; L444-D446 VanDerWaalsContact C-N 3.34Å; L444-D446 PolarHBondContact O-N 3.24Å; D446-R448 PolarHBondContact O-N 2.79Å; D446-R448 VanDerWaalsContact O-N 3.13Å; D446-Q449 WeakPolarHBondContact O-CA 3.46Å; D446-Q449 WeakPolarHBondContact O-CB 3.43Å; D446-Q449 PolarHBondContact O-N 2.77Å; D446-Q449 PolarHBondContact O-OE1 2.85Å; D446-Q450 WeakPolarHBondContact O-CG 3.49Å; D446-Q450 PolarHBondContact O-N 3.07Å
447	M	87.2	Confident	83.5	Confident	92 Å²	92	66.3 Å²	66.3	45%	0.453	33%	0.334	S	S	.	.	H	α-helix	trans	-52.1	-39.9	-179.4	-76.2	-173.2	71.1	0	0	112.6	T443 L444 Q449 Q450 K451	T443-M447 WeakPolarHBondContact O-CG 3.34Å; T443-M447 PolarHBondContact O-N 3.33Å; L444-M447 HydrophobicContact CD2-SD 3.94Å; M447-Q449 VanDerWaalsContact C-N 3.31Å; M447-Q449 PolarHBondContact O-N 3.33Å; M447-Q450 PolarHBondContact O-N 3.28Å; M447-K451 WeakPolarHBondContact O-CB 3.47Å; M447-K451 PolarHBondContact O-N 2.8Å
448	R	92.6	Very high	85.1	Confident	204 Å²	204	59.5 Å²	59.5	77%	0.77	30%	0.302	S	S	*	.	H	α-helix	trans	-63.3	-40.5	179.2	-174.4	-180	-179.2	-175.1	1	111.2	D446 L452	D446-R448 PolarHBondContact O-N 2.79Å; D446-R448 VanDerWaalsContact O-N 3.13Å; R448-L452 WeakPolarHBondContact O-CB 3.29Å; R448-L452 PolarHBondContact O-N 3.47Å; R448-L452 VanDerWaalsContact O-N 3.1Å
449	Q	94.8	Very high	87	Confident	37 Å²	37	53.2 Å²	53.2	17%	0.173	27%	0.272	C	S	.	.	H	α-helix	trans	-73.4	-43.1	179.6	-71.7	76.2	8	0	0	110.9	I370 A373 K374 N445 D446 M447 K451 L452 V453	I370-Q449 HydrophobicContact CD1-CB 3.86Å; I370-Q449 HydrophobicContact CG2-CB 4.25Å; I370-Q449 HydrophobicContact CG2-CG 4.43Å; A373-Q449 HydrophobicContact CB-CB 3.97Å; A373-Q449 HydrophobicContact CB-CG 4.11Å; K374-Q449 HydrophobicContact CG-CG 3.92Å; N445-Q449 PolarHBondContact O-OE1 2.93Å; D446-Q449 WeakPolarHBondContact O-CA 3.46Å; D446-Q449 WeakPolarHBondContact O-CB 3.43Å; D446-Q449 PolarHBondContact O-N 2.77Å; D446-Q449 PolarHBondContact O-OE1 2.85Å; M447-Q449 VanDerWaalsContact C-N 3.31Å; M447-Q449 PolarHBondContact O-N 3.33Å; Q449-K451 VanDerWaalsContact C-N 3.32Å; Q449-K451 PolarHBondContact O-N 3.13Å; Q449-L452 PolarHBondContact O-N 2.8Å; Q449-L452 VanDerWaalsContact O-N 3.08Å; Q449-V453 VanDerWaalsContact O-CG2 3.32Å; Q449-V453 WeakPolarHBondContact O-CG2 3.24Å; Q449-V453 PolarHBondContact O-N 3.35Å
450	Q	93.6	Very high	88.6	Confident	1 Å²	1	53 Å²	53	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-55.6	-47.7	174.7	-66.9	172.9	3.2	0	0	111.5	Y366 I370 M433 D446 M447 L452 V453 V454	Y366-Q450 HydrophobicContact CE2-CG 4.33Å; Y366-Q450 PolarHBondContact OH-NE2 2.82Å; I370-Q450 HydrophobicContact CD1-CG 3.76Å; M433-Q450 HydrophobicContact CB-CG 4.2Å; M433-Q450 HydrophobicContact SD-CB 4.34Å; M433-Q450 HydrophobicContact SD-CG 4.29Å; D446-Q450 WeakPolarHBondContact O-CG 3.49Å; D446-Q450 PolarHBondContact O-N 3.07Å; M447-Q450 PolarHBondContact O-N 3.28Å; Q450-L452 VanDerWaalsContact C-N 3.35Å; Q450-L452 PolarHBondContact O-N 3.3Å; Q450-V453 PolarHBondContact O-N 3.5Å; Q450-V454 PolarHBondContact O-N 3.49Å
451	K	96	Very high	90.3	Very high	45 Å²	45	51.3 Å²	51.3	20%	0.196	25%	0.25	C	C	.	.	H	α-helix	trans	-55.1	-50.5	173.3	172.3	-169.9	172.8	177.9	0	111.2	E422 I426 M447 Q449 V454 Q455	E422-K451 VanDerWaalsContact CG-NZ 3.25Å; E422-K451 IonicContact OE1-NZ 2.77Å; E422-K451 PolarHBondContact OE1-NZ 2.84Å; I426-K451 HydrophobicContact CD1-CD 4.46Å; I426-K451 HydrophobicContact CG1-CD 3.57Å; I426-K451 HydrophobicContact CG1-CG 4.04Å; M447-K451 WeakPolarHBondContact O-CB 3.47Å; M447-K451 PolarHBondContact O-N 2.8Å; Q449-K451 VanDerWaalsContact C-N 3.32Å; Q449-K451 PolarHBondContact O-N 3.13Å; K451-V454 PolarHBondContact O-N 2.82Å; K451-Q455 WeakPolarHBondContact O-CB 3.45Å; K451-Q455 PolarHBondContact O-N 3Å
452	L	97.4	Very high	91.4	Very high	41 Å²	41	51.2 Å²	51.2	22%	0.215	25%	0.25	C	C	.	.	H	α-helix	trans	-64.4	-40.8	-176.4	-179.4	60.5	0	0	0	112.3	A373 R448 Q449 Q450 V454 Q455 L456	A373-L452 HydrophobicContact CB-CD2 4.27Å; R448-L452 WeakPolarHBondContact O-CB 3.29Å; R448-L452 PolarHBondContact O-N 3.47Å; R448-L452 VanDerWaalsContact O-N 3.1Å; Q449-L452 PolarHBondContact O-N 2.8Å; Q449-L452 VanDerWaalsContact O-N 3.08Å; Q450-L452 VanDerWaalsContact C-N 3.35Å; Q450-L452 PolarHBondContact O-N 3.3Å; L452-V454 PolarHBondContact O-N 3.14Å; L452-Q455 PolarHBondContact O-N 3.4Å; L452-L456 HydrophobicContact CD1-CD1 4.11Å; L452-L456 HydrophobicContact CD1-CD2 4.49Å; L452-L456 HydrophobicContact CD1-CG 4.02Å; L452-L456 HydrophobicContact CG-CD1 4.03Å; L452-L456 HydrophobicContact CG-CG 4.37Å; L452-L456 WeakPolarHBondContact O-CB 3.36Å; L452-L456 VanDerWaalsContact O-CG 3.3Å; L452-L456 WeakPolarHBondContact O-CG 3.43Å; L452-L456 PolarHBondContact O-N 3.26Å
453	V	98	Very high	92.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-56.9	-52.4	176.6	171.3	0	0	0	0	110.1	F369 A373 M433 Q449 Q450 Q455 L456 M457	F369-V453 HydrophobicContact CB-CG1 4.32Å; F369-V453 HydrophobicContact CB-CG2 4.29Å; F369-V453 HydrophobicContact CD1-CG1 3.85Å; F369-V453 HydrophobicContact CG-CG1 4.38Å; F369-V453 WeakPolarHBondContact O-CG2 3.34Å; A373-V453 HydrophobicContact CB-CG2 3.69Å; M433-V453 HydrophobicContact SD-CB 4.16Å; M433-V453 HydrophobicContact SD-CG1 4.06Å; Q449-V453 VanDerWaalsContact O-CG2 3.32Å; Q449-V453 WeakPolarHBondContact O-CG2 3.24Å; Q449-V453 PolarHBondContact O-N 3.35Å; Q450-V453 PolarHBondContact O-N 3.5Å; V453-Q455 PolarHBondContact O-N 3.01Å; V453-L456 PolarHBondContact O-N 3.13Å; V453-M457 HydrophobicContact CG1-CE 3.54Å; V453-M457 HydrophobicContact CG1-SD 4.06Å; V453-M457 WeakPolarHBondContact O-CG 3.14Å; V453-M457 PolarHBondContact O-N 2.88Å
454	V	98.3	Very high	93.7	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.4	-40	-178.7	176.8	0	0	0	0	111.4	M404 F428 L432 Q450 K451 L452 L456 M457 I458	M404-V454 HydrophobicContact CE-CG1 4.4Å; F428-V454 HydrophobicContact CB-CG1 3.85Å; L432-V454 HydrophobicContact CD1-CG1 4.47Å; L432-V454 HydrophobicContact CD1-CG2 4.16Å; Q450-V454 PolarHBondContact O-N 3.49Å; K451-V454 PolarHBondContact O-N 2.82Å; L452-V454 PolarHBondContact O-N 3.14Å; V454-L456 PolarHBondContact O-N 3.41Å; V454-M457 PolarHBondContact O-N 2.82Å; V454-I458 HydrophobicContact CG1-CD1 3.91Å; V454-I458 HydrophobicContact CG1-CG1 4.41Å; V454-I458 VanDerWaalsContact O-CG1 3.28Å; V454-I458 WeakPolarHBondContact O-CG1 2.91Å; V454-I458 PolarHBondContact O-N 2.88Å
455	Q	98.4	Very high	94.5	Very high	32 Å²	32	49.7 Å²	49.7	15%	0.15	24%	0.24	C	C	.	.	H	α-helix	trans	-55.9	-49.9	174.1	174.9	-178.7	-14.8	0	0	111.3	A421 K451 L452 V453 M457 I458 E459	A421-Q455 HydrophobicContact CB-CG 4.05Å; K451-Q455 WeakPolarHBondContact O-CB 3.45Å; K451-Q455 PolarHBondContact O-N 3Å; L452-Q455 PolarHBondContact O-N 3.4Å; V453-Q455 PolarHBondContact O-N 3.01Å; Q455-M457 VanDerWaalsContact C-N 3.35Å; Q455-M457 PolarHBondContact O-N 2.74Å; Q455-I458 PolarHBondContact O-N 3.37Å; Q455-E459 HydrophobicContact CG-CG 4.42Å; Q455-E459 VanDerWaalsContact CG-OE1 3.31Å; Q455-E459 WeakPolarHBondContact CG-OE1 3.46Å; Q455-E459 PolarHBondContact NE2-OE1 3.26Å; Q455-E459 WeakPolarHBondContact O-CG 3.37Å; Q455-E459 PolarHBondContact O-N 3.23Å
456	L	98.2	Very high	95.2	Very high	12 Å²	12	46.3 Å²	46.3	6%	0.063	22%	0.22	C	C	.	.	H	α-helix	trans	-64.8	-38.1	-179.9	-69.3	174.1	0	0	0	112.2	L382 I385 L452 V453 V454 I458 E459 H460	L382-L456 HydrophobicContact CD2-CB 4.35Å; I385-L456 HydrophobicContact CD1-CB 4.1Å; I385-L456 HydrophobicContact CD1-CD1 3.81Å; L452-L456 HydrophobicContact CD1-CD1 4.11Å; L452-L456 HydrophobicContact CD1-CD2 4.49Å; L452-L456 HydrophobicContact CD1-CG 4.02Å; L452-L456 HydrophobicContact CG-CD1 4.03Å; L452-L456 HydrophobicContact CG-CG 4.37Å; L452-L456 WeakPolarHBondContact O-CB 3.36Å; L452-L456 VanDerWaalsContact O-CG 3.3Å; L452-L456 WeakPolarHBondContact O-CG 3.43Å; L452-L456 PolarHBondContact O-N 3.26Å; V453-L456 PolarHBondContact O-N 3.13Å; V454-L456 PolarHBondContact O-N 3.41Å; L456-I458 VanDerWaalsContact C-N 3.3Å; L456-I458 PolarHBondContact O-N 3.39Å; L456-E459 PolarHBondContact O-N 3.13Å; L456-H460 WeakPolarHBondContact O-CB 3.36Å; L456-H460 PolarHBondContact O-CD2 3.39Å; L456-H460 PolarHBondContact O-N 3.17Å
457	M	98.4	Very high	95.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.9	-36.5	174.4	-72	176.6	177.2	0	0	112.6	I361 F369 I385 L389 L400 M404 V453 V454 Q455 E461 L464	I361-M457 HydrophobicContact CD1-CE 4.09Å; I361-M457 HydrophobicContact CD1-SD 4.37Å; F369-M457 HydrophobicContact CD1-CE 3.62Å; F369-M457 HydrophobicContact CE1-CE 3.16Å; F369-M457 HydrophobicContact CZ-CE 3.86Å; I385-M457 HydrophobicContact CG2-CE 3.83Å; I385-M457 HydrophobicContact CG2-CG 4.1Å; L389-M457 HydrophobicContact CD2-CE 3.76Å; L389-M457 HydrophobicContact CG-CE 4.28Å; L400-M457 HydrophobicContact CD2-CE 4.43Å; L400-M457 HydrophobicContact CD2-SD 4.18Å; M404-M457 HydrophobicContact CG-CB 4.09Å; M404-M457 HydrophobicContact SD-CB 3.59Å; M404-M457 VanDerWaalsContact SD-CB 3.59Å; V453-M457 HydrophobicContact CG1-CE 3.54Å; V453-M457 HydrophobicContact CG1-SD 4.06Å; V453-M457 WeakPolarHBondContact O-CG 3.14Å; V453-M457 PolarHBondContact O-N 2.88Å; V454-M457 PolarHBondContact O-N 2.82Å; Q455-M457 VanDerWaalsContact C-N 3.35Å; Q455-M457 PolarHBondContact O-N 2.74Å; M457-E461 VanDerWaalsContact O-CA 3.31Å; M457-E461 WeakPolarHBondContact O-CA 3.45Å; M457-E461 WeakPolarHBondContact O-CB 3.41Å; M457-E461 PolarHBondContact O-N 3.23Å; M457-L464 HydrophobicContact CG-CD1 4.38Å
458	I	98.6	Very high	96.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-71.4	-47.5	174.2	-64.2	165.3	0	0	0	109.7	M404 L407 K408 T411 A421 L424 V454 Q455 L456 H460	M404-I458 HydrophobicContact SD-CG1 3.77Å; L407-I458 HydrophobicContact CB-CD1 3.98Å; L407-I458 HydrophobicContact CB-CG1 3.93Å; L407-I458 HydrophobicContact CB-CG2 4.44Å; L407-I458 HydrophobicContact CD1-CD1 3.87Å; L407-I458 HydrophobicContact CD1-CG1 4.23Å; K408-I458 VanDerWaalsContact CD-O 3.3Å; K408-I458 WeakPolarHBondContact CD-O 3.18Å; T411-I458 HydrophobicContact CG2-CG2 3.88Å; A421-I458 HydrophobicContact CB-CB 4.1Å; A421-I458 HydrophobicContact CB-CG2 3.83Å; L424-I458 HydrophobicContact CB-CD1 3.76Å; L424-I458 HydrophobicContact CD1-CD1 4.44Å; V454-I458 HydrophobicContact CG1-CD1 3.91Å; V454-I458 HydrophobicContact CG1-CG1 4.41Å; V454-I458 VanDerWaalsContact O-CG1 3.28Å; V454-I458 WeakPolarHBondContact O-CG1 2.91Å; V454-I458 PolarHBondContact O-N 2.88Å; Q455-I458 PolarHBondContact O-N 3.37Å; L456-I458 VanDerWaalsContact C-N 3.3Å; L456-I458 PolarHBondContact O-N 3.39Å; I458-H460 VanDerWaalsContact C-N 3.33Å; I458-H460 PolarHBondContact O-N 3.33Å
459	E	98.1	Very high	96.4	Very high	67 Å²	67	35.9 Å²	35.9	31%	0.313	18%	0.181	S	C	.	.	H	α-helix	trans	-61.5	-40.7	-176.2	-75.7	171	-178.3	0	0	112.6	K408 A421 Q455 L456	K408-E459 PolarHBondContact NZ-O 3.25Å; A421-E459 HydrophobicContact CB-CG 3.62Å; Q455-E459 HydrophobicContact CG-CG 4.42Å; Q455-E459 VanDerWaalsContact CG-OE1 3.31Å; Q455-E459 WeakPolarHBondContact CG-OE1 3.46Å; Q455-E459 PolarHBondContact NE2-OE1 3.26Å; Q455-E459 WeakPolarHBondContact O-CG 3.37Å; Q455-E459 PolarHBondContact O-N 3.23Å; L456-E459 PolarHBondContact O-N 3.13Å
460	H	97.6	Very high	96.5	Very high	62 Å²	62	35.9 Å²	35.9	29%	0.287	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	30	-174.6	-58.7	-77.8	0	0	0	113.3	L382 L456 I458 D462 V463 L464	L382-H460 HydrophobicContact CD2-CB 4.18Å; L382-H460 VanDerWaalsContact CD2-CD2 3.49Å; L382-H460 WeakPolarHBondContact CD2-CD2 3.46Å; L456-H460 WeakPolarHBondContact O-CB 3.36Å; L456-H460 PolarHBondContact O-CD2 3.39Å; L456-H460 PolarHBondContact O-N 3.17Å; I458-H460 VanDerWaalsContact C-N 3.33Å; I458-H460 PolarHBondContact O-N 3.33Å; H460-D462 PolarHBondContact O-N 3.32Å; H460-V463 PolarHBondContact O-N 3.48Å; H460-V463 VanDerWaalsContact O-N 3.11Å; H460-L464 HydrophobicContact CB-CD1 4.02Å; H460-L464 HydrophobicContact CB-CG 4.19Å; H460-L464 WeakPolarHBondContact O-CB 3.47Å; H460-L464 WeakPolarHBondContact O-CG 3.27Å; H460-L464 PolarHBondContact O-N 3.39Å
461	E	97.5	Very high	96.7	Very high	34 Å²	34	38.2 Å²	38.2	16%	0.159	19%	0.193	C	C	.	.	H	α-helix	trans	-53.2	-40.1	-177.9	-178.3	-93.9	162.5	0	0	113.1	M404 A405 K408 M457 V463 F465	M404-E461 HydrophobicContact CB-CG 3.91Å; A405-E461 HydrophobicContact CB-CG 4.46Å; A405-E461 VanDerWaalsContact CB-OE1 3.26Å; A405-E461 WeakPolarHBondContact CB-OE1 3.49Å; K408-E461 HydrophobicContact CB-CB 4.34Å; M457-E461 VanDerWaalsContact O-CA 3.31Å; M457-E461 WeakPolarHBondContact O-CA 3.45Å; M457-E461 WeakPolarHBondContact O-CB 3.41Å; M457-E461 PolarHBondContact O-N 3.23Å; E461-V463 VanDerWaalsContact C-N 3.27Å; E461-V463 PolarHBondContact O-N 3.14Å; E461-F465 HydrophobicContact CG-CD2 4.43Å; E461-F465 PolarHBondContact O-N 3.25Å
462	D	93.4	Very high	96.7	Very high	111 Å²	111	37.7 Å²	37.7	59%	0.594	19%	0.193	S	C	*	.	H	α-helix	trans	-69.2	-19.3	-178.5	58.9	-40.7	0	0	0	114.7	H460	H460-D462 PolarHBondContact O-N 3.32Å
463	V	93.8	Very high	96.7	Very high	105 Å²	105	37.5 Å²	37.5	64%	0.636	19%	0.191	S	C	*	.	H	α-helix	trans	-103.2	-33.8	-179.8	-179.3	0	0	0	0	111.3	H460 E461	H460-V463 PolarHBondContact O-N 3.48Å; H460-V463 VanDerWaalsContact O-N 3.11Å; E461-V463 VanDerWaalsContact C-N 3.27Å; E461-V463 PolarHBondContact O-N 3.14Å
464	L	93.7	Very high	96.5	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-82.8	-28	-172.5	-73.1	173.5	0	0	0	114	L382 I385 H386 L389 M457 H460	L382-L464 HydrophobicContact CD2-CD1 4.43Å; I385-L464 HydrophobicContact CG2-CD1 4.05Å; I385-L464 HydrophobicContact CG2-CD2 4.23Å; H386-L464 HydrophobicContact CB-CD2 3.78Å; H386-L464 PolarHBondContact CE1-O 2.98Å; H386-L464 PolarHBondContact ND1-O 3.32Å; L389-L464 HydrophobicContact CD1-CB 3.97Å; M457-L464 HydrophobicContact CG-CD1 4.38Å; H460-L464 HydrophobicContact CB-CD1 4.02Å; H460-L464 HydrophobicContact CB-CG 4.19Å; H460-L464 WeakPolarHBondContact O-CB 3.47Å; H460-L464 WeakPolarHBondContact O-CG 3.27Å; H460-L464 PolarHBondContact O-N 3.39Å
465	F	92.6	Very high	96.4	Very high	59 Å²	59	44.3 Å²	44.3	26%	0.259	23%	0.226	S	C	.	.			trans	-123.4	0	-177.1	-61.6	-90.2	0	0	0	111.6	L389 Y397 L400 R401 M404 E461	L389-F465 HydrophobicContact CD1-CD1 4.36Å; L389-F465 HydrophobicContact CD1-CD2 4.44Å; L389-F465 HydrophobicContact CD1-CE1 3.87Å; L389-F465 HydrophobicContact CD1-CE2 3.92Å; L389-F465 HydrophobicContact CD1-CZ 3.62Å; L389-F465 HydrophobicContact CD2-CE1 3.7Å; L389-F465 HydrophobicContact CD2-CZ 3.58Å; L389-F465 HydrophobicContact CG-CE1 4.32Å; L389-F465 HydrophobicContact CG-CZ 4.25Å; Y397-F465 HydrophobicContact CD2-CD1 4.4Å; Y397-F465 HydrophobicContact CD2-CE1 4.34Å; Y397-F465 HydrophobicContact CE1-CD1 4.45Å; Y397-F465 AromaticContact CE2-CD1 3.7Å; Y397-F465 HydrophobicContact CE2-CD1 3.7Å; Y397-F465 HydrophobicContact CE2-CE1 4.02Å; Y397-F465 AromaticContact CZ-CD1 3.74Å; L400-F465 HydrophobicContact CD2-CE1 4.37Å; L400-F465 HydrophobicContact CD2-CZ 4.08Å; L400-F465 HydrophobicContact CG-CE1 4.26Å; L400-F465 HydrophobicContact CG-CZ 3.94Å; R401-F465 HydrophobicContact CB-CB 4.4Å; R401-F465 HydrophobicContact CB-CD1 3.49Å; R401-F465 VanDerWaalsContact CB-CD1 3.49Å; R401-F465 HydrophobicContact CB-CE1 3.9Å; R401-F465 HydrophobicContact CB-CG 4.08Å; R401-F465 HydrophobicContact CG-CB 3.57Å; R401-F465 HydrophobicContact CG-CD1 3.65Å; R401-F465 HydrophobicContact CG-CE1 4.49Å; R401-F465 HydrophobicContact CG-CG 3.76Å; M404-F465 HydrophobicContact CB-CE2 4.04Å; M404-F465 HydrophobicContact CG-CE2 3.81Å; M404-F465 HydrophobicContact CG-CZ 3.99Å; E461-F465 HydrophobicContact CG-CD2 4.43Å; E461-F465 PolarHBondContact O-N 3.25Å

Retrieved 465 of 465 residues in 162.1 ms (Link to these results)

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