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NEDD8-conjugating enzyme Ubc12

Accepts the ubiquitin-like protein NEDD8 from the UBA3-NAE1 E1 complex and catalyzes its covalent attachment to other proteins. The specific interaction with the E3 ubiquitin ligase RBX1, but not RBX2, suggests that the RBX1-UBE2M complex neddylates specific target proteins, such as CUL1, CUL2, CUL3 and CUL4. Involved in cell proliferation.

AlphaFold DB , UniProt , Accession P61082, Species MOUSE (Mus musculus, Mouse), Gene Ube2m, Length 183 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	56.3	Low	59.8	Low	208 Å²	208	136.2 Å²	136.2	100%	1.025	66%	0.655	S	S	*	*				0	-18.7	0	-120.7	-166.9	-78.4	0	0	114.8
2	I	57.9	Low	59.6	Low	155 Å²	155	138.1 Å²	138.1	80%	0.795	66%	0.658	S	S	*	*	H	α-helix	trans	-70.9	-38.4	-173.2	-60.2	171.2	0	0	0	113.8	L4 F5	I2-L4 VanDerWaalsContact C-N 3.28Å; I2-L4 PolarHBondContact O-N 2.91Å; I2-F5 PolarHBondContact O-N 3.32Å
3	K	56.1	Low	59.5	Low	182 Å²	182	138 Å²	138	79%	0.791	66%	0.656	S	S	*	*	H	α-helix	trans	-62.2	-28.5	-178.1	-86.5	-175.6	173.5	-179.6	0	114.4
4	L	57.6	Low	59.3	Low	124 Å²	124	139.2 Å²	139.2	65%	0.649	66%	0.661	S	S	*	*	H	α-helix	trans	-73.1	-27.1	-179.1	-111.7	96.2	0	0	0	113.4	I2 K8	I2-L4 VanDerWaalsContact C-N 3.28Å; I2-L4 PolarHBondContact O-N 2.91Å; L4-K8 PolarHBondContact O-N 2.67Å
5	F	57.1	Low	59.1	Low	150 Å²	150	140.8 Å²	140.8	66%	0.658	67%	0.668	S	S	*	*	H	α-helix	trans	-74.5	-38.7	-179.9	-94.3	-88	0	0	0	112.1	I2 K8 Q9	I2-F5 PolarHBondContact O-N 3.32Å; F5-K8 PolarHBondContact O-N 2.9Å; F5-Q9 PolarHBondContact O-N 3.22Å
6	S	64.8	Low	58.8	Low	62 Å²	62	137.8 Å²	137.8	43%	0.434	67%	0.666	S	S	.	*	H	α-helix	trans	-67	-42.2	178.7	174.6	0	0	0	0	112.4	K8 Q9 Q10	S6-K8 VanDerWaalsContact C-N 3.32Å; S6-K8 PolarHBondContact O-N 2.97Å; S6-Q9 PolarHBondContact O-N 3.04Å; S6-Q10 PolarHBondContact O-N 3.1Å
7	L	65.2	Low	58.7	Low	102 Å²	102	134.2 Å²	134.2	53%	0.534	67%	0.665	S	S	.	*	H	α-helix	trans	-64.6	-32.7	176.5	-83.4	154.3	0	0	0	113.1	K11	L7-K11 WeakPolarHBondContact O-CG 3.45Å; L7-K11 PolarHBondContact O-N 3.4Å; L7-K11 VanDerWaalsContact O-N 3.15Å
8	K	63.1	Low	57.8	Low	149 Å²	149	131.2 Å²	131.2	65%	0.648	67%	0.673	S	S	*	*	H	α-helix	trans	-74	-31.1	175.7	-85.9	-171.9	174.1	-176.3	0	113.1	L4 F5 S6 K12	L4-K8 PolarHBondContact O-N 2.67Å; F5-K8 PolarHBondContact O-N 2.9Å; S6-K8 VanDerWaalsContact C-N 3.32Å; S6-K8 PolarHBondContact O-N 2.97Å; K8-K12 WeakPolarHBondContact O-CB 3.49Å; K8-K12 PolarHBondContact O-N 3.1Å
9	Q	61.4	Low	56.9	Low	127 Å²	127	127.4 Å²	127.4	59%	0.593	67%	0.67	S	S	*	*	H	α-helix	trans	-72.3	-44.9	174.3	-78.3	178.1	-10.7	0	0	111.2	F5 S6 K11 K12 E13	F5-Q9 PolarHBondContact O-N 3.22Å; S6-Q9 PolarHBondContact O-N 3.04Å; Q9-K11 PolarHBondContact O-N 3.32Å; Q9-K12 PolarHBondContact O-N 2.98Å; Q9-K12 VanDerWaalsContact O-N 3.14Å; Q9-E13 WeakPolarHBondContact O-CG 3.49Å; Q9-E13 PolarHBondContact O-N 3.14Å
10	Q	59.8	Low	55.9	Low	108 Å²	108	128.6 Å²	128.6	51%	0.505	68%	0.683	S	S	.	*	H	α-helix	trans	-60.4	-43.5	176.8	-74.3	178.7	-18.6	0	0	112.4	S6 K12 E13 E14	S6-Q10 PolarHBondContact O-N 3.1Å; Q10-K12 VanDerWaalsContact C-N 3.35Å; Q10-K12 PolarHBondContact O-N 3.44Å; Q10-E13 PolarHBondContact O-N 3.42Å; Q10-E14 WeakPolarHBondContact O-CG 3.49Å; Q10-E14 PolarHBondContact O-N 2.83Å
11	K	59	Low	55.4	Low	131 Å²	131	131.6 Å²	131.6	57%	0.57	69%	0.69	S	S	*	*	H	α-helix	trans	-65.2	-34.4	175.1	-76.8	-171	172.4	-167.5	0	113.5	L7 Q9 E15	L7-K11 WeakPolarHBondContact O-CG 3.45Å; L7-K11 PolarHBondContact O-N 3.4Å; L7-K11 VanDerWaalsContact O-N 3.15Å; Q9-K11 PolarHBondContact O-N 3.32Å; K11-E15 WeakPolarHBondContact O-CG 3.49Å; K11-E15 PolarHBondContact O-N 3.19Å; K11-E15 VanDerWaalsContact O-N 3.1Å
12	K	57.7	Low	54.6	Low	159 Å²	159	125.8 Å²	125.8	69%	0.691	68%	0.684	S	S	*	*	H	α-helix	trans	-71.6	-32.4	176.3	-91.8	-172.3	169.6	-171.2	0	112.9	K8 Q9 Q10 S16	K8-K12 WeakPolarHBondContact O-CB 3.49Å; K8-K12 PolarHBondContact O-N 3.1Å; Q9-K12 PolarHBondContact O-N 2.98Å; Q9-K12 VanDerWaalsContact O-N 3.14Å; Q10-K12 VanDerWaalsContact C-N 3.35Å; Q10-K12 PolarHBondContact O-N 3.44Å; K12-S16 PolarHBondContact O-N 3.27Å; K12-S16 PolarHBondContact O-OG 3.4Å
13	E	57.9	Low	53.8	Low	137 Å²	137	122.6 Å²	122.6	64%	0.64	68%	0.675	S	S	*	*	H	α-helix	trans	-74.1	-32.8	175.6	-72.3	176.7	-177.9	0	0	111.7	Q9 Q10	Q9-E13 WeakPolarHBondContact O-CG 3.49Å; Q9-E13 PolarHBondContact O-N 3.14Å; Q10-E13 PolarHBondContact O-N 3.42Å
14	E	56.8	Low	53.6	Low	155 Å²	155	119.6 Å²	119.6	72%	0.724	68%	0.678	S	S	*	*	H	α-helix	trans	-71	-37.7	173.6	-74.9	179.7	166.9	0	0	112.7	Q10	Q10-E14 WeakPolarHBondContact O-CG 3.49Å; Q10-E14 PolarHBondContact O-N 2.83Å
15	E	55.3	Low	54	Low	163 Å²	163	122.1 Å²	122.1	76%	0.762	68%	0.683	S	S	*	*	H	α-helix	trans	-76.2	-19.6	179.2	-75	176.6	177.3	0	0	114	K11	K11-E15 WeakPolarHBondContact O-CG 3.49Å; K11-E15 PolarHBondContact O-N 3.19Å; K11-E15 VanDerWaalsContact O-N 3.1Å
16	S	55.6	Low	55	Low	92 Å²	92	124.6 Å²	124.6	64%	0.643	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-1.7	-179.2	46.7	0	0	0	0	114.7	K12 G18	K12-S16 PolarHBondContact O-N 3.27Å; K12-S16 PolarHBondContact O-OG 3.4Å; S16-G18 VanDerWaalsContact C-N 3.31Å; S16-G18 PolarHBondContact O-N 3.39Å
17	A	56.5	Low	56.2	Low	78 Å²	78	124 Å²	124	65%	0.645	69%	0.693	S	S	*	*			trans	-86.6	11.9	179.5	0	0	0	0	0	114.8	G19	A17-G19 PolarHBondContact O-N 3.39Å
18	G	42.4	Very low	57.5	Low	79 Å²	79	121 Å²	121	81%	0.814	68%	0.681	S	S	*	*			trans	-70.2	26.3	178.3	0	0	0	0	0	116.3	S16	S16-G18 VanDerWaalsContact C-N 3.31Å; S16-G18 PolarHBondContact O-N 3.39Å
19	G	40.6	Very low	59.1	Low	60 Å²	60	117.6 Å²	117.6	62%	0.619	68%	0.68	S	S	*	*			trans	-104.1	114	-178.2	0	0	0	0	0	112.8	A17 K21	A17-G19 PolarHBondContact O-N 3.39Å; G19-K21 PolarHBondContact O-N 3.15Å
20	T	36.9	Very low	60.8	Low	150 Å²	150	111.5 Å²	111.5	92%	0.92	65%	0.651	S	S	*	*			trans	-62.5	87.2	177.5	-34.3	0	0	0	0	112.2
21	K	44.9	Very low	62.5	Low	192 Å²	192	108.6 Å²	108.6	84%	0.835	64%	0.638	S	S	*	*	S	Bend	trans	-143.3	129.2	161.9	-75.4	-172.3	177.5	177	0	107.9	G19 S23	G19-K21 PolarHBondContact O-N 3.15Å; K21-S23 PolarHBondContact O-N 3.2Å
22	G	39.6	Very low	64.3	Low	87 Å²	87	107.2 Å²	107.2	90%	0.897	64%	0.636	S	S	*	*			trans	-39.2	106.4	-170.9	0	0	0	0	0	113.3	S24	G22-S24 PolarHBondContact O-N 3.25Å; G22-S24 VanDerWaalsContact O-N 3.1Å
23	S	42.2	Very low	66.2	Low	87 Å²	87	102 Å²	102	61%	0.608	61%	0.612	S	S	*	*			trans	-79	101.7	-170.7	74.4	0	0	0	0	109.7	K21 K25	K21-S23 PolarHBondContact O-N 3.2Å; S23-K25 PolarHBondContact O-N 3.05Å
24	S	50.7	Low	68.1	Low	120 Å²	120	95.5 Å²	95.5	84%	0.839	58%	0.581	S	S	*	*			trans	-63.7	81.1	147.7	172.2	0	0	0	0	106.7	G22 K26	G22-S24 PolarHBondContact O-N 3.25Å; G22-S24 VanDerWaalsContact O-N 3.1Å; S24-K26 PolarHBondContact O-N 3.15Å
25	K	65.9	Low	70.1	Confident	176 Å²	176	92.3 Å²	92.3	77%	0.765	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-60.9	120.4	169	-81.6	176.5	179.7	179	0	105.5	S23 A27	S23-K25 PolarHBondContact O-N 3.05Å; K25-A27 PolarHBondContact O-N 2.93Å; K25-A27 VanDerWaalsContact O-N 3.15Å
26	K	80	Confident	72.1	Confident	202 Å²	202	90 Å²	90	88%	0.878	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-50.9	125	173.8	-70.1	-177.1	177.9	177.8	0	107.8	S24 S28	S24-K26 PolarHBondContact O-N 3.15Å; K26-S28 PolarHBondContact O-N 3.42Å
27	A	88.5	Confident	74.1	Confident	51 Å²	51	85.8 Å²	85.8	42%	0.421	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-55.5	136.3	176.6	0	0	0	0	0	109.4	K25 Q31 L32	K25-A27 PolarHBondContact O-N 2.93Å; K25-A27 VanDerWaalsContact O-N 3.15Å; A27-Q31 HydrophobicContact CB-CB 4.24Å; A27-Q31 HydrophobicContact CB-CG 4.29Å; A27-L32 HydrophobicContact CB-CD2 3.84Å; A27-L32 HydrophobicContact CB-CG 3.96Å
28	S	93.6	Very high	76	Confident	39 Å²	39	83.1 Å²	83.1	27%	0.273	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-66.3	158.7	176.5	71.2	0	0	0	0	110.4	K26 A30 Q31 L32 Q84	K26-S28 PolarHBondContact O-N 3.42Å; S28-A30 PolarHBondContact O-N 3.23Å; S28-Q31 WeakPolarHBondContact O-CB 3.29Å; S28-Q31 PolarHBondContact O-N 2.86Å; S28-Q31 PolarHBondContact OG-N 3.15Å; S28-Q31 VanDerWaalsContact OG-N 3.15Å; S28-L32 PolarHBondContact O-N 2.73Å; S28-Q84 VanDerWaalsContact CB-OE1 3.26Å; S28-Q84 PolarHBondContact OG-OE1 2.77Å
29	A	95.8	Very high	78.6	Confident	76 Å²	76	85.4 Å²	85.4	63%	0.628	49%	0.492	S	S	*	.	H	α-helix	trans	-56.4	-38	174.8	0	0	0	0	0	111.5	L32 R33	A29-L32 PolarHBondContact O-N 3.04Å; A29-R33 WeakPolarHBondContact O-CB 3.43Å; A29-R33 PolarHBondContact O-N 2.94Å
30	A	97	Very high	81.3	Confident	0 Å²	0	87.5 Å²	87.5	0%	0	49%	0.486	C	S	.	.	H	α-helix	trans	-60.5	-45.9	173.2	0	0	0	0	0	112.1	S28 R33 I34 Y86	S28-A30 PolarHBondContact O-N 3.23Å; A30-R33 PolarHBondContact O-N 3Å; A30-I34 WeakPolarHBondContact O-CB 3.46Å; A30-I34 WeakPolarHBondContact O-CG2 3.48Å; A30-I34 PolarHBondContact O-N 3.27Å; A30-Y86 WeakPolarHBondContact CA-O 3.19Å
31	Q	95.6	Very high	84.1	Confident	47 Å²	47	82.3 Å²	82.3	22%	0.22	45%	0.453	C	S	.	.	H	α-helix	trans	-61.9	-44.8	178.3	-169.9	69	14.3	0	0	112	A27 S28 R33 I34 Q35	A27-Q31 HydrophobicContact CB-CB 4.24Å; A27-Q31 HydrophobicContact CB-CG 4.29Å; S28-Q31 WeakPolarHBondContact O-CB 3.29Å; S28-Q31 PolarHBondContact O-N 2.86Å; S28-Q31 PolarHBondContact OG-N 3.15Å; S28-Q31 VanDerWaalsContact OG-N 3.15Å; Q31-R33 VanDerWaalsContact C-N 3.33Å; Q31-R33 PolarHBondContact O-N 3.25Å; Q31-I34 VanDerWaalsContact O-CG2 3.31Å; Q31-I34 WeakPolarHBondContact O-CG2 3.46Å; Q31-Q35 VanDerWaalsContact O-CB 3.27Å; Q31-Q35 WeakPolarHBondContact O-CB 3.34Å; Q31-Q35 PolarHBondContact O-N 2.81Å
32	L	96.9	Very high	86.5	Confident	102 Å²	102	78.1 Å²	78.1	53%	0.534	44%	0.439	S	S	.	.	H	α-helix	trans	-64	-41	177.9	-67.3	174.1	0	0	0	111.4	A27 S28 A29 K36	A27-L32 HydrophobicContact CB-CD2 3.84Å; A27-L32 HydrophobicContact CB-CG 3.96Å; S28-L32 PolarHBondContact O-N 2.73Å; A29-L32 PolarHBondContact O-N 3.04Å; L32-K36 PolarHBondContact O-N 3.48Å
33	R	98.2	Very high	89.2	Confident	49 Å²	49	76.5 Å²	76.5	19%	0.185	41%	0.41	C	S	.	.	H	α-helix	trans	-70.6	-46.3	-179.7	178	55.7	-168.2	-77.9	-11.3	112.3	A29 A30 Q31 Q35 K36 D37 Y86 P87 P121 L123	A29-R33 WeakPolarHBondContact O-CB 3.43Å; A29-R33 PolarHBondContact O-N 2.94Å; A30-R33 PolarHBondContact O-N 3Å; Q31-R33 VanDerWaalsContact C-N 3.33Å; Q31-R33 PolarHBondContact O-N 3.25Å; R33-Q35 VanDerWaalsContact C-N 3.32Å; R33-Q35 PolarHBondContact O-N 2.85Å; R33-K36 WeakPolarHBondContact O-CB 3.34Å; R33-K36 PolarHBondContact O-N 3.46Å; R33-D37 IonicContact CZ-OD1 2.69Å; R33-D37 IonicContact CZ-OD2 3.95Å; R33-D37 IonicContact NE-OD1 3.07Å; R33-D37 PolarHBondContact NE-OD1 3.07Å; R33-D37 IonicContact NE-OD2 2.87Å; R33-D37 PolarHBondContact NE-OD2 3.19Å; R33-D37 VanDerWaalsContact NE-OD2 3.08Å; R33-D37 IonicContact NH2-OD1 3.6Å; R33-D37 PolarHBondContact NH2-OD1 3.2Å; R33-D37 IonicContact NH2-OD2 3.71Å; R33-D37 PolarHBondContact O-N 3.04Å; R33-Y86 HydrophobicContact CB-CD1 4.19Å; R33-Y86 HydrophobicContact CB-CE1 4.25Å; R33-Y86 HydrophobicContact CG-CD1 3.87Å; R33-Y86 HydrophobicContact CG-CE1 3.54Å; R33-P87 HydrophobicContact CG-CB 4.09Å; R33-P87 HydrophobicContact CG-CG 4.07Å; R33-P87 VanDerWaalsContact NH1-CB 3.25Å; R33-P87 VanDerWaalsContact NH1-CG 3.31Å; R33-P121 PolarHBondContact NH1-O 2.86Å; R33-P121 PolarHBondContact NH2-O 3.29Å; R33-L123 PolarHBondContact NH2-O 2.98Å
34	I	97.9	Very high	91.7	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-63.8	-40.2	178.6	-167.3	55.5	0	0	0	110.8	A30 Q31 K36 D37 I38 L57 L58 F60 V82 Y86 I125	A30-I34 WeakPolarHBondContact O-CB 3.46Å; A30-I34 WeakPolarHBondContact O-CG2 3.48Å; A30-I34 PolarHBondContact O-N 3.27Å; Q31-I34 VanDerWaalsContact O-CG2 3.31Å; Q31-I34 WeakPolarHBondContact O-CG2 3.46Å; I34-K36 PolarHBondContact O-N 3.35Å; I34-D37 PolarHBondContact O-N 3.13Å; I34-D37 VanDerWaalsContact O-N 3.08Å; I34-I38 HydrophobicContact CD1-CD1 4.02Å; I34-I38 HydrophobicContact CD1-CG1 4.02Å; I34-I38 HydrophobicContact CG1-CD1 4.46Å; I34-I38 HydrophobicContact CG1-CG1 3.99Å; I34-I38 WeakPolarHBondContact O-CB 3.49Å; I34-I38 VanDerWaalsContact O-CG1 3.29Å; I34-I38 WeakPolarHBondContact O-CG1 3.36Å; I34-I38 PolarHBondContact O-N 3.29Å; I34-L57 WeakPolarHBondContact CG1-O 3.47Å; I34-L57 HydrophobicContact CG2-CB 4.17Å; I34-L58 HydrophobicContact CB-CD2 4.37Å; I34-L58 HydrophobicContact CG2-CD2 3.75Å; I34-F60 HydrophobicContact CD1-CE1 4.33Å; I34-V82 HydrophobicContact CD1-CG2 3.83Å; I34-V82 HydrophobicContact CG1-CG2 4.15Å; I34-Y86 HydrophobicContact CB-CD1 4.42Å; I34-Y86 HydrophobicContact CB-CE1 4.33Å; I34-Y86 HydrophobicContact CD1-CE1 4.22Å; I34-I125 HydrophobicContact CD1-CD1 3.76Å; I34-I125 HydrophobicContact CD1-CG1 3.5Å
35	Q	97.2	Very high	94	Very high	89 Å²	89	77.9 Å²	77.9	42%	0.416	39%	0.392	S	S	.	.	H	α-helix	trans	-57.9	-41.3	176.6	-176	177.2	8.4	0	0	111.3	Q31 R33 N39 L57	Q31-Q35 VanDerWaalsContact O-CB 3.27Å; Q31-Q35 WeakPolarHBondContact O-CB 3.34Å; Q31-Q35 PolarHBondContact O-N 2.81Å; R33-Q35 VanDerWaalsContact C-N 3.32Å; R33-Q35 PolarHBondContact O-N 2.85Å; Q35-N39 WeakPolarHBondContact O-CB 3.49Å; Q35-N39 PolarHBondContact O-N 3.3Å; Q35-N39 PolarHBondContact O-ND2 2.97Å; Q35-L57 HydrophobicContact CB-CD1 4.08Å; Q35-L57 HydrophobicContact CG-CD1 4.15Å
36	K	97.8	Very high	95.5	Very high	115 Å²	115	70.2 Å²	70.2	50%	0.5	36%	0.36	S	S	.	.	H	α-helix	trans	-61.7	-51.4	172.8	-175.8	-175	175	-173.5	0	111.5	L32 R33 I34 I38 N39 E40	L32-K36 PolarHBondContact O-N 3.48Å; R33-K36 WeakPolarHBondContact O-CB 3.34Å; R33-K36 PolarHBondContact O-N 3.46Å; I34-K36 PolarHBondContact O-N 3.35Å; K36-I38 VanDerWaalsContact C-N 3.31Å; K36-I38 PolarHBondContact O-N 3.27Å; K36-N39 PolarHBondContact O-N 3.29Å; K36-E40 VanDerWaalsContact CE-CD 3.49Å; K36-E40 WeakPolarHBondContact CE-OE1 3.39Å; K36-E40 WeakPolarHBondContact CE-OE2 3.27Å; K36-E40 IonicContact NZ-OE1 3.08Å; K36-E40 WeakPolarHBondContact O-CG 3.31Å; K36-E40 PolarHBondContact O-N 3.06Å
37	D	98.1	Very high	96.4	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.011	32%	0.321	C	S	.	.	H	α-helix	trans	-63.3	-36.3	-176.8	-62.3	-30.6	0	0	0	112.5	R33 I34 E40 L41 Y86 T124 I125	R33-D37 IonicContact CZ-OD1 2.69Å; R33-D37 IonicContact CZ-OD2 3.95Å; R33-D37 IonicContact NE-OD1 3.07Å; R33-D37 PolarHBondContact NE-OD1 3.07Å; R33-D37 IonicContact NE-OD2 2.87Å; R33-D37 PolarHBondContact NE-OD2 3.19Å; R33-D37 VanDerWaalsContact NE-OD2 3.08Å; R33-D37 IonicContact NH2-OD1 3.6Å; R33-D37 PolarHBondContact NH2-OD1 3.2Å; R33-D37 IonicContact NH2-OD2 3.71Å; R33-D37 PolarHBondContact O-N 3.04Å; I34-D37 PolarHBondContact O-N 3.13Å; I34-D37 VanDerWaalsContact O-N 3.08Å; D37-E40 PolarHBondContact O-N 3.21Å; D37-L41 PolarHBondContact O-N 3.46Å; D37-Y86 WeakPolarHBondContact OD2-CE1 3.34Å; D37-Y86 PolarHBondContact OD2-OH 2.73Å; D37-T124 WeakPolarHBondContact OD1-CG2 3.31Å; D37-I125 HydrophobicContact CB-CB 4.4Å; D37-I125 HydrophobicContact CB-CG1 3.96Å
38	I	97.4	Very high	96.8	Very high	23 Å²	23	63.4 Å²	63.4	12%	0.118	33%	0.326	C	S	.	.	H	α-helix	trans	-68.6	-42.1	175.9	-63.4	-49.7	0	0	0	111.3	I34 K36 E40 L41 I49 F51 F60 I125	I34-I38 HydrophobicContact CD1-CD1 4.02Å; I34-I38 HydrophobicContact CD1-CG1 4.02Å; I34-I38 HydrophobicContact CG1-CD1 4.46Å; I34-I38 HydrophobicContact CG1-CG1 3.99Å; I34-I38 WeakPolarHBondContact O-CB 3.49Å; I34-I38 VanDerWaalsContact O-CG1 3.29Å; I34-I38 WeakPolarHBondContact O-CG1 3.36Å; I34-I38 PolarHBondContact O-N 3.29Å; K36-I38 VanDerWaalsContact C-N 3.31Å; K36-I38 PolarHBondContact O-N 3.27Å; I38-E40 PolarHBondContact O-N 2.85Å; I38-L41 HydrophobicContact CB-CD1 4.44Å; I38-L41 HydrophobicContact CD1-CD1 3.92Å; I38-L41 HydrophobicContact CD1-CG 4.45Å; I38-L41 HydrophobicContact CG2-CD1 4.09Å; I38-L41 WeakPolarHBondContact O-CB 3.36Å; I38-L41 WeakPolarHBondContact O-CD1 3.38Å; I38-L41 VanDerWaalsContact O-CG 3.26Å; I38-L41 WeakPolarHBondContact O-CG 3.46Å; I38-L41 PolarHBondContact O-N 3.21Å; I38-I49 HydrophobicContact CD1-CD1 4.36Å; I38-F51 HydrophobicContact CD1-CE1 4.41Å; I38-F51 HydrophobicContact CD1-CZ 3.9Å; I38-F51 HydrophobicContact CG1-CE1 4.47Å; I38-F51 HydrophobicContact CG1-CZ 4.14Å; I38-F51 HydrophobicContact CG2-CE2 4.36Å; I38-F51 HydrophobicContact CG2-CZ 3.81Å; I38-F60 HydrophobicContact CD1-CE1 4.21Å; I38-F60 HydrophobicContact CD1-CZ 4.35Å; I38-I125 HydrophobicContact CD1-CG1 4.33Å; I38-I125 HydrophobicContact CD1-CG2 4.5Å
39	N	96.4	Very high	97.1	Very high	126 Å²	126	63 Å²	63	67%	0.674	32%	0.321	S	S	*	.	H	α-helix	trans	-66.5	-26.5	176.9	-73.6	-19.4	0	0	0	113	Q35 K36	Q35-N39 WeakPolarHBondContact O-CB 3.49Å; Q35-N39 PolarHBondContact O-N 3.3Å; Q35-N39 PolarHBondContact O-ND2 2.97Å; K36-N39 PolarHBondContact O-N 3.29Å
40	E	96.9	Very high	97.1	Very high	104 Å²	104	61.7 Å²	61.7	49%	0.486	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	12.7	178.6	-66.6	175.3	-177.8	0	0	112.5	K36 D37 I38 N42 N126	K36-E40 VanDerWaalsContact CE-CD 3.49Å; K36-E40 WeakPolarHBondContact CE-OE1 3.39Å; K36-E40 WeakPolarHBondContact CE-OE2 3.27Å; K36-E40 IonicContact NZ-OE1 3.08Å; K36-E40 WeakPolarHBondContact O-CG 3.31Å; K36-E40 PolarHBondContact O-N 3.06Å; D37-E40 PolarHBondContact O-N 3.21Å; I38-E40 PolarHBondContact O-N 2.85Å; E40-N42 PolarHBondContact O-N 3.08Å; E40-N126 PolarHBondContact O-ND2 2.85Å
41	L	95.3	Very high	97.2	Very high	42 Å²	42	64.5 Å²	64.5	22%	0.22	32%	0.32	C	S	.	.			trans	-60	135.3	178.9	-77.5	173.2	0	0	0	112.1	D37 I38 L43 I49 I125 N126 I129	D37-L41 PolarHBondContact O-N 3.46Å; I38-L41 HydrophobicContact CB-CD1 4.44Å; I38-L41 HydrophobicContact CD1-CD1 3.92Å; I38-L41 HydrophobicContact CD1-CG 4.45Å; I38-L41 HydrophobicContact CG2-CD1 4.09Å; I38-L41 WeakPolarHBondContact O-CB 3.36Å; I38-L41 WeakPolarHBondContact O-CD1 3.38Å; I38-L41 VanDerWaalsContact O-CG 3.26Å; I38-L41 WeakPolarHBondContact O-CG 3.46Å; I38-L41 PolarHBondContact O-N 3.21Å; L41-L43 HydrophobicContact CD2-CD2 4.34Å; L41-I49 HydrophobicContact CD1-CD1 3.61Å; L41-I49 HydrophobicContact CD1-CG2 4.25Å; L41-I125 HydrophobicContact CD2-CB 4.18Å; L41-I125 HydrophobicContact CD2-CG2 3.88Å; L41-N126 WeakPolarHBondContact CA-OD1 3.49Å; L41-N126 WeakPolarHBondContact CD2-OD1 3.32Å; L41-I129 HydrophobicContact CD2-CD1 3.93Å
42	N	95.1	Very high	97.2	Very high	104 Å²	104	67.7 Å²	67.7	56%	0.556	35%	0.347	S	S	*	.			trans	-130.8	92	172.3	-177.6	22.4	0	0	0	108.2	E40 N126	E40-N42 PolarHBondContact O-N 3.08Å; N42-N126 PolarHBondContact N-OD1 2.84Å
43	L	96.2	Very high	97.1	Very high	53 Å²	53	66.7 Å²	66.7	28%	0.277	34%	0.342	S	S	.	.			trans	-83.9	130.9	-173.9	-58.7	-177	0	0	0	111.3	L41 C47 I49 I129	L41-L43 HydrophobicContact CD2-CD2 4.34Å; L43-C47 HydrophobicContact CB-CB 4.49Å; L43-I49 HydrophobicContact CD1-CB 3.96Å; L43-I49 HydrophobicContact CD1-CG2 3.69Å; L43-I129 HydrophobicContact CD2-CD1 3.49Å; L43-I129 VanDerWaalsContact CD2-CD1 3.49Å; L43-I129 HydrophobicContact CD2-CG2 4.38Å
44	P	96.1	Very high	96.9	Very high	19 Å²	19	69.3 Å²	69.3	12%	0.123	37%	0.366	C	S	.	.			trans	-55.7	152.3	163.4	-23.4	33.7	0	0	0	111.2	T46 C47 Y130	P44-T46 PolarHBondContact O-N 2.8Å; P44-C47 HydrophobicContact CB-CB 4.47Å; P44-C47 PolarHBondContact O-N 3.07Å; P44-Y130 HydrophobicContact CG-CD1 4.31Å; P44-Y130 HydrophobicContact CG-CE1 3.78Å
45	K	97.5	Very high	96.7	Very high	216 Å²	216	76.2 Å²	76.2	94%	0.939	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-21.7	178.6	-67.4	-177.6	-180	177.3	0	114.1	C47	K45-C47 VanDerWaalsContact C-N 3.3Å
46	T	98.1	Very high	96.6	Very high	15 Å²	15	74.3 Å²	74.3	9%	0.092	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-4.6	177.7	53.1	0	0	0	0	112.7	P44 I64 C65 D67 Q133	P44-T46 PolarHBondContact O-N 2.8Å; T46-I64 CarbonylContact O-C 3.57Å; T46-I64 WeakPolarHBondContact O-CA 3.41Å; T46-C65 VanDerWaalsContact CB-O 3.32Å; T46-C65 WeakPolarHBondContact CB-O 3.29Å; T46-C65 WeakPolarHBondContact CG2-O 3.41Å; T46-C65 PolarHBondContact O-N 3.04Å; T46-D67 HydrophobicContact CG2-CB 4.2Å; T46-D67 VanDerWaalsContact CG2-CG 3.49Å; T46-D67 WeakPolarHBondContact CG2-OD1 3.39Å; T46-Q133 PolarHBondContact OG1-NE2 3.31Å
47	C	98.3	Very high	96.5	Very high	11 Å²	11	70.2 Å²	70.2	7%	0.074	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	140.3	-174.8	-63.9	0	0	0	0	111.2	L43 P44 K45 L62 V63 I129	L43-C47 HydrophobicContact CB-CB 4.49Å; P44-C47 HydrophobicContact CB-CB 4.47Å; P44-C47 PolarHBondContact O-N 3.07Å; K45-C47 VanDerWaalsContact C-N 3.3Å; C47-L62 HydrophobicContact CB-CD1 4.21Å; C47-V63 CarbonylContact C-O 3.56Å; C47-V63 VanDerWaalsContact CA-O 3.3Å; C47-V63 WeakPolarHBondContact CA-O 3.5Å; C47-I129 HydrophobicContact CB-CG2 4.32Å
48	D	98.3	Very high	96.5	Very high	99 Å²	99	71.1 Å²	71.1	53%	0.529	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	142.8	174.5	-172.1	-103.8	0	0	0	109.8	L62 V63	D48-L62 CarbonylContact O-C 3.59Å; D48-L62 WeakPolarHBondContact O-CA 3.48Å; D48-V63 HydrophobicContact CB-CB 4.47Å; D48-V63 PolarHBondContact N-O 3.46Å; D48-V63 PolarHBondContact O-N 3.36Å
49	I	98	Very high	96.6	Very high	30 Å²	30	73 Å²	73	15%	0.154	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	140	-178.6	-161.2	176.2	0	0	0	110	I38 L41 L43 F51 F60 K61	I38-I49 HydrophobicContact CD1-CD1 4.36Å; L41-I49 HydrophobicContact CD1-CD1 3.61Å; L41-I49 HydrophobicContact CD1-CG2 4.25Å; L43-I49 HydrophobicContact CD1-CB 3.96Å; L43-I49 HydrophobicContact CD1-CG2 3.69Å; I49-F51 HydrophobicContact CD1-CE2 4.02Å; I49-F51 HydrophobicContact CD1-CZ 3.89Å; I49-F51 HydrophobicContact CG1-CE2 4.11Å; I49-F51 HydrophobicContact CG1-CZ 4.36Å; I49-F51 HydrophobicContact CG2-CE2 4.2Å; I49-F60 HydrophobicContact CD1-CD2 3.56Å; I49-F60 HydrophobicContact CD1-CE2 3.73Å; I49-F60 HydrophobicContact CD1-CG 4.24Å; I49-F60 HydrophobicContact CG1-CD2 3.74Å; I49-F60 HydrophobicContact CG1-CE2 4.32Å; I49-F60 HydrophobicContact CG1-CG 4.46Å; I49-K61 CarbonylContact C-O 3.6Å; I49-K61 WeakPolarHBondContact CA-O 3.45Å; I49-K61 WeakPolarHBondContact CG1-O 3.29Å
50	S	97.9	Very high	96.7	Very high	49 Å²	49	67.2 Å²	67.2	34%	0.343	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	141.7	179.4	58.9	0	0	0	0	112.1	F60 K61	S50-F60 WeakPolarHBondContact O-CA 3.45Å; S50-F60 WeakPolarHBondContact O-CB 3.25Å; S50-K61 PolarHBondContact N-O 2.88Å; S50-K61 PolarHBondContact O-N 2.99Å
51	F	97.8	Very high	96.8	Very high	59 Å²	59	65.8 Å²	65.8	26%	0.259	36%	0.355	S	S	.	.			trans	-115.3	124	177	-61.7	-96.8	0	0	0	107.5	I38 I49 L57 F60	I38-F51 HydrophobicContact CD1-CE1 4.41Å; I38-F51 HydrophobicContact CD1-CZ 3.9Å; I38-F51 HydrophobicContact CG1-CE1 4.47Å; I38-F51 HydrophobicContact CG1-CZ 4.14Å; I38-F51 HydrophobicContact CG2-CE2 4.36Å; I38-F51 HydrophobicContact CG2-CZ 3.81Å; I49-F51 HydrophobicContact CD1-CE2 4.02Å; I49-F51 HydrophobicContact CD1-CZ 3.89Å; I49-F51 HydrophobicContact CG1-CE2 4.11Å; I49-F51 HydrophobicContact CG1-CZ 4.36Å; I49-F51 HydrophobicContact CG2-CE2 4.2Å; F51-L57 HydrophobicContact CD1-CD2 4.11Å; F51-L57 HydrophobicContact CE1-CD2 3.96Å; F51-F60 HydrophobicContact CD1-CB 3.6Å; F51-F60 HydrophobicContact CD1-CG 4.43Å; F51-F60 HydrophobicContact CE1-CB 3.52Å; F51-F60 AromaticContact CE1-CD1 3.84Å; F51-F60 HydrophobicContact CE1-CD1 3.84Å; F51-F60 AromaticContact CE1-CG 3.86Å; F51-F60 HydrophobicContact CE1-CG 3.86Å; F51-F60 HydrophobicContact CG-CB 4.18Å; F51-F60 HydrophobicContact CZ-CB 4.04Å; F51-F60 HydrophobicContact CZ-CD1 4.4Å; F51-F60 HydrophobicContact CZ-CG 4.21Å
52	S	95.9	Very high	96.9	Very high	114 Å²	114	63.8 Å²	63.8	80%	0.797	34%	0.344	S	S	*	.	S	Bend	trans	-74.4	-32.6	178.9	-60.9	0	0	0	0	111.9
53	D	94.7	Very high	97.1	Very high	81 Å²	81	60 Å²	60	43%	0.433	33%	0.325	S	S	.	.	S	Bend	trans	-121.1	118.1	172	-178.1	-11.8	0	0	0	108	D55 D56	D53-D55 PolarHBondContact O-N 2.83Å; D53-D55 PolarHBondContact OD1-N 3.24Å; D53-D56 HydrophobicContact CB-CB 3.98Å; D53-D56 PolarHBondContact O-N 2.83Å
54	P	93.2	Very high	97.2	Very high	105 Å²	105	57.5 Å²	57.5	68%	0.682	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.2	178	-24.6	34.9	0	0	0	114.6
55	D	93.4	Very high	97.3	Very high	145 Å²	145	57.7 Å²	57.7	78%	0.775	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-13.8	178.6	-66.7	-37.6	0	0	0	112.5	D53	D53-D55 PolarHBondContact O-N 2.83Å; D53-D55 PolarHBondContact OD1-N 3.24Å
56	D	96	Very high	97.4	Very high	48 Å²	48	47.8 Å²	47.8	26%	0.257	27%	0.271	S	S	.	.			trans	-103.4	86.1	178.6	-174.1	6.9	0	0	0	112.1	D53 L58 N59	D53-D56 HydrophobicContact CB-CB 3.98Å; D53-D56 PolarHBondContact O-N 2.83Å; D56-L58 PolarHBondContact O-N 2.89Å; D56-L58 WeakPolarHBondContact OD1-CA 3.43Å; D56-L58 WeakPolarHBondContact OD1-CB 3.18Å; D56-L58 PolarHBondContact OD1-N 2.87Å; D56-N59 PolarHBondContact OD1-N 3.08Å; D56-N59 PolarHBondContact OD1-ND2 3.08Å; D56-N59 WeakPolarHBondContact OD2-CB 3.46Å; D56-N59 PolarHBondContact OD2-ND2 2.69Å
57	L	96.8	Very high	97.4	Very high	30 Å²	30	51.7 Å²	51.7	16%	0.157	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-7.2	173.1	-56.3	-175.9	0	0	0	113.5	I34 Q35 F51	I34-L57 WeakPolarHBondContact CG1-O 3.47Å; I34-L57 HydrophobicContact CG2-CB 4.17Å; Q35-L57 HydrophobicContact CB-CD1 4.08Å; Q35-L57 HydrophobicContact CG-CD1 4.15Å; F51-L57 HydrophobicContact CD1-CD2 4.11Å; F51-L57 HydrophobicContact CE1-CD2 3.96Å
58	L	97.7	Very high	97.4	Very high	20 Å²	20	56.4 Å²	56.4	11%	0.105	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-19.2	-176.1	-61.2	171.8	0	0	0	112.4	I34 D56 K81 V82	I34-L58 HydrophobicContact CB-CD2 4.37Å; I34-L58 HydrophobicContact CG2-CD2 3.75Å; D56-L58 PolarHBondContact O-N 2.89Å; D56-L58 WeakPolarHBondContact OD1-CA 3.43Å; D56-L58 WeakPolarHBondContact OD1-CB 3.18Å; D56-L58 PolarHBondContact OD1-N 2.87Å; L58-K81 WeakPolarHBondContact O-CA 3.46Å; L58-V82 HydrophobicContact CB-CB 4.21Å; L58-V82 HydrophobicContact CD2-CB 3.72Å; L58-V82 HydrophobicContact CD2-CG1 3.68Å; L58-V82 PolarHBondContact O-N 2.82Å
59	N	98.4	Very high	97.4	Very high	63 Å²	63	53.9 Å²	53.9	34%	0.337	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	117.2	177.2	-56.6	-86.5	0	0	0	110.3	D56 F80 K81	D56-N59 PolarHBondContact OD1-N 3.08Å; D56-N59 PolarHBondContact OD1-ND2 3.08Å; D56-N59 WeakPolarHBondContact OD2-CB 3.46Å; D56-N59 PolarHBondContact OD2-ND2 2.69Å; N59-F80 WeakPolarHBondContact CA-O 3.39Å; N59-K81 WeakPolarHBondContact OD1-CG 3.44Å
60	F	98.6	Very high	97.4	Very high	5 Å²	5	53.1 Å²	53.1	2%	0.022	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	166.5	-178.9	58.3	-92	0	0	0	111.1	I34 I38 I49 S50 F51 F80 V82 I125	I34-F60 HydrophobicContact CD1-CE1 4.33Å; I38-F60 HydrophobicContact CD1-CE1 4.21Å; I38-F60 HydrophobicContact CD1-CZ 4.35Å; I49-F60 HydrophobicContact CD1-CD2 3.56Å; I49-F60 HydrophobicContact CD1-CE2 3.73Å; I49-F60 HydrophobicContact CD1-CG 4.24Å; I49-F60 HydrophobicContact CG1-CD2 3.74Å; I49-F60 HydrophobicContact CG1-CE2 4.32Å; I49-F60 HydrophobicContact CG1-CG 4.46Å; S50-F60 WeakPolarHBondContact O-CA 3.45Å; S50-F60 WeakPolarHBondContact O-CB 3.25Å; F51-F60 HydrophobicContact CD1-CB 3.6Å; F51-F60 HydrophobicContact CD1-CG 4.43Å; F51-F60 HydrophobicContact CE1-CB 3.52Å; F51-F60 AromaticContact CE1-CD1 3.84Å; F51-F60 HydrophobicContact CE1-CD1 3.84Å; F51-F60 AromaticContact CE1-CG 3.86Å; F51-F60 HydrophobicContact CE1-CG 3.86Å; F51-F60 HydrophobicContact CG-CB 4.18Å; F51-F60 HydrophobicContact CZ-CB 4.04Å; F51-F60 HydrophobicContact CZ-CD1 4.4Å; F51-F60 HydrophobicContact CZ-CG 4.21Å; F60-F80 HydrophobicContact CD1-CB 4.1Å; F60-F80 HydrophobicContact CD2-CB 3.7Å; F60-F80 HydrophobicContact CD2-CD2 4.26Å; F60-F80 AromaticContact CD2-CG 3.96Å; F60-F80 HydrophobicContact CD2-CG 3.96Å; F60-F80 HydrophobicContact CE1-CB 3.81Å; F60-F80 HydrophobicContact CE1-CD1 4.44Å; F60-F80 HydrophobicContact CE1-CG 4.41Å; F60-F80 HydrophobicContact CE2-CB 3.4Å; F60-F80 AromaticContact CE2-CD1 3.52Å; F60-F80 HydrophobicContact CE2-CD1 3.52Å; F60-F80 AromaticContact CE2-CD2 3.81Å; F60-F80 HydrophobicContact CE2-CD2 3.81Å; F60-F80 HydrophobicContact CE2-CE1 4.17Å; F60-F80 HydrophobicContact CE2-CE2 4.45Å; F60-F80 AromaticContact CE2-CG 3.29Å; F60-F80 HydrophobicContact CE2-CG 3.29Å; F60-F80 HydrophobicContact CG-CB 4.06Å; F60-F80 HydrophobicContact CZ-CB 3.45Å; F60-F80 VanDerWaalsContact CZ-CB 3.45Å; F60-F80 AromaticContact CZ-CD1 3.43Å; F60-F80 HydrophobicContact CZ-CD1 3.43Å; F60-F80 VanDerWaalsContact CZ-CD1 3.43Å; F60-F80 HydrophobicContact CZ-CD2 4.5Å; F60-F80 HydrophobicContact CZ-CE1 4.26Å; F60-F80 AromaticContact CZ-CG 3.57Å; F60-F80 HydrophobicContact CZ-CG 3.57Å; F60-F80 PolarHBondContact N-O 3.05Å; F60-F80 PolarHBondContact O-N 2.84Å; F60-V82 HydrophobicContact CE1-CG2 4.1Å; F60-I125 HydrophobicContact CE2-CG2 4.13Å; F60-I125 HydrophobicContact CZ-CD1 4.09Å; F60-I125 HydrophobicContact CZ-CG1 4.3Å; F60-I125 HydrophobicContact CZ-CG2 3.81Å
61	K	98.6	Very high	97.4	Very high	73 Å²	73	50.8 Å²	50.8	32%	0.317	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	142	175.1	-62.1	-167.7	178.5	-162.5	0	110.8	I49 S50 V77 F78 E96	I49-K61 CarbonylContact C-O 3.6Å; I49-K61 WeakPolarHBondContact CA-O 3.45Å; I49-K61 WeakPolarHBondContact CG1-O 3.29Å; S50-K61 PolarHBondContact N-O 2.88Å; S50-K61 PolarHBondContact O-N 2.99Å; K61-V77 HydrophobicContact CB-CG1 4.48Å; K61-V77 HydrophobicContact CD-CG1 4.02Å; K61-F78 CarbonylContact C-O 3.54Å; K61-F78 VanDerWaalsContact CA-O 3.25Å; K61-F78 WeakPolarHBondContact CA-O 3.37Å; K61-E96 VanDerWaalsContact CE-OE1 3.29Å; K61-E96 WeakPolarHBondContact CE-OE1 3.39Å; K61-E96 WeakPolarHBondContact CE-OE2 3.48Å; K61-E96 VanDerWaalsContact NZ-CD 3.3Å; K61-E96 IonicContact NZ-OE1 3.6Å; K61-E96 PolarHBondContact NZ-OE1 3.37Å; K61-E96 VanDerWaalsContact NZ-OE1 3.07Å; K61-E96 IonicContact NZ-OE2 3.64Å; K61-E96 PolarHBondContact NZ-OE2 3.37Å
62	L	98.8	Very high	97.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133	169.5	175.2	73.8	0	0	0	108.4	C47 D48 I64 V77 F78 F80 I129 L132	C47-L62 HydrophobicContact CB-CD1 4.21Å; D48-L62 CarbonylContact O-C 3.59Å; D48-L62 WeakPolarHBondContact O-CA 3.48Å; L62-I64 HydrophobicContact CD2-CD1 3.83Å; L62-I64 HydrophobicContact CD2-CG1 3.91Å; L62-I64 HydrophobicContact CG-CD1 4.48Å; L62-I64 HydrophobicContact CG-CG1 4Å; L62-V77 WeakPolarHBondContact O-CA 3.34Å; L62-F78 HydrophobicContact CB-CB 4.35Å; L62-F78 PolarHBondContact N-O 2.79Å; L62-F78 PolarHBondContact O-N 2.91Å; L62-F80 HydrophobicContact CB-CD2 4.21Å; L62-F80 HydrophobicContact CB-CE2 3.72Å; L62-F80 HydrophobicContact CD2-CE2 3.9Å; L62-F80 HydrophobicContact CD2-CZ 4.15Å; L62-F80 HydrophobicContact CG-CE2 4.49Å; L62-I129 HydrophobicContact CD1-CD1 4.07Å; L62-I129 HydrophobicContact CD1-CG1 4.04Å; L62-I129 HydrophobicContact CD1-CG2 4.14Å; L62-I129 HydrophobicContact CD2-CB 4.47Å; L62-I129 HydrophobicContact CD2-CG1 3.96Å; L62-I129 HydrophobicContact CD2-CG2 4.36Å; L62-L132 HydrophobicContact CD2-CD1 3.72Å
63	V	98.8	Very high	97.6	Very high	25 Å²	25	51.1 Å²	51.1	15%	0.152	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126.6	171.1	-178.6	0	0	0	0	108.4	C47 D48 K75 F76 V77	C47-V63 CarbonylContact C-O 3.56Å; C47-V63 VanDerWaalsContact CA-O 3.3Å; C47-V63 WeakPolarHBondContact CA-O 3.5Å; D48-V63 HydrophobicContact CB-CB 4.47Å; D48-V63 PolarHBondContact N-O 3.46Å; D48-V63 PolarHBondContact O-N 3.36Å; V63-K75 HydrophobicContact CG1-CG 3.89Å; V63-F76 CarbonylContact C-O 3.58Å; V63-F76 WeakPolarHBondContact CA-O 3.2Å; V63-V77 HydrophobicContact CG2-CG2 4.34Å
64	I	98.7	Very high	97.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.5	174.5	-53.4	-175.8	0	0	0	108.5	T46 L62 P66 F76 F78 L132 F136	T46-I64 CarbonylContact O-C 3.57Å; T46-I64 WeakPolarHBondContact O-CA 3.41Å; L62-I64 HydrophobicContact CD2-CD1 3.83Å; L62-I64 HydrophobicContact CD2-CG1 3.91Å; L62-I64 HydrophobicContact CG-CD1 4.48Å; L62-I64 HydrophobicContact CG-CG1 4Å; I64-P66 HydrophobicContact CG2-CG 4.08Å; I64-F76 PolarHBondContact N-O 3.23Å; I64-F76 PolarHBondContact O-N 2.81Å; I64-F78 HydrophobicContact CD1-CD2 4.26Å; I64-F78 HydrophobicContact CD1-CE2 3.93Å; I64-F78 HydrophobicContact CG1-CD2 4.35Å; I64-F78 HydrophobicContact CG1-CE2 4.24Å; I64-L132 HydrophobicContact CD1-CB 3.78Å; I64-F136 HydrophobicContact CB-CE2 4.48Å; I64-F136 HydrophobicContact CD1-CD2 4.42Å; I64-F136 HydrophobicContact CD1-CE2 4.17Å; I64-F136 HydrophobicContact CG2-CD2 4.22Å; I64-F136 HydrophobicContact CG2-CE2 4.47Å
65	C	98.7	Very high	98	Very high	23 Å²	23	46.9 Å²	46.9	16%	0.155	25%	0.251	C	S	.	.			trans	-122.1	85.8	173.8	-65.5	0	0	0	0	109.3	T46 G74 K183	T46-C65 VanDerWaalsContact CB-O 3.32Å; T46-C65 WeakPolarHBondContact CB-O 3.29Å; T46-C65 WeakPolarHBondContact CG2-O 3.41Å; T46-C65 PolarHBondContact O-N 3.04Å; C65-G74 WeakPolarHBondContact CA-O 3.32Å; C65-K183 HydrophobicContact CB-CD 4.05Å
66	P	98.5	Very high	98.3	Very high	9 Å²	9	40 Å²	40	6%	0.058	21%	0.214	C	C	.	.			trans	-59.8	138.3	-179.6	-21.4	33.9	0	0	0	111.9	I64 K72 S73 F76 F136	I64-P66 HydrophobicContact CG2-CG 4.08Å; P66-K72 WeakPolarHBondContact O-CA 2.89Å; P66-S73 PolarHBondContact O-N 3.39Å; P66-F76 HydrophobicContact CG-CD2 4.17Å; P66-F76 HydrophobicContact CG-CE2 3.9Å; P66-F136 HydrophobicContact CG-CB 3.86Å; P66-F136 HydrophobicContact CG-CD1 4.45Å; P66-F136 HydrophobicContact CG-CD2 4.49Å; P66-F136 HydrophobicContact CG-CG 4.03Å
67	D	97.9	Very high	98.4	Very high	96 Å²	96	39 Å²	39	51%	0.513	21%	0.211	S	C	.	.	S	Bend	trans	-105.5	-3.5	178.8	56.3	-7	0	0	0	113.5	T46 K72	T46-D67 HydrophobicContact CG2-CB 4.2Å; T46-D67 VanDerWaalsContact CG2-CG 3.49Å; T46-D67 WeakPolarHBondContact CG2-OD1 3.39Å; D67-K72 WeakPolarHBondContact O-CD 3.45Å; D67-K72 WeakPolarHBondContact O-CE 3.49Å; D67-K72 WeakPolarHBondContact O-CG 3.38Å; D67-K72 PolarHBondContact O-NZ 3.24Å; D67-K72 VanDerWaalsContact O-NZ 3.1Å
68	E	98	Very high	98.5	Very high	111 Å²	111	37.7 Å²	37.7	52%	0.519	20%	0.203	S	C	.	.	S	Bend	trans	-142.5	178.5	175.6	67.2	-179.4	-155.7	0	0	111.5	L137	E68-L137 HydrophobicContact CG-CD2 3.5Å; E68-L137 VanDerWaalsContact CG-CD2 3.5Å; E68-L137 WeakPolarHBondContact OE1-CD2 3.28Å
69	G	97.9	Very high	98.5	Very high	45 Å²	45	38.2 Å²	38.2	46%	0.464	21%	0.209	S	C	.	.	S	Bend	trans	71.3	-170.9	-179.3	0	0	0	0	0	114.4	Y71 K72	G69-Y71 VanDerWaalsContact C-N 3.25Å; G69-Y71 PolarHBondContact O-N 3.24Å; G69-K72 WeakPolarHBondContact O-CB 3.49Å; G69-K72 PolarHBondContact O-N 2.66Å
70	F	98.5	Very high	98.6	Very high	14 Å²	14	35.4 Å²	35.4	6%	0.061	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-33	-175.4	-62.3	-63.2	0	0	0	113.4	K72 P139 L153 R157 F160 E161 V164 Q165	F70-K72 VanDerWaalsContact C-N 3.34Å; F70-P139 HydrophobicContact CD2-CG 4.45Å; F70-L153 HydrophobicContact CE2-CD1 4.13Å; F70-L153 HydrophobicContact CZ-CD1 4.38Å; F70-R157 HydrophobicContact CE1-CG 4.19Å; F70-R157 HydrophobicContact CZ-CG 3.73Å; F70-F160 HydrophobicContact CB-CE1 4.27Å; F70-F160 HydrophobicContact CD1-CD1 4.16Å; F70-F160 HydrophobicContact CD1-CE1 4.46Å; F70-F160 AromaticContact CD2-CD1 3.93Å; F70-F160 HydrophobicContact CD2-CD1 3.93Å; F70-F160 AromaticContact CD2-CE1 3.58Å; F70-F160 HydrophobicContact CD2-CE1 3.58Å; F70-F160 HydrophobicContact CE1-CD1 4.18Å; F70-F160 AromaticContact CE2-CD1 3.94Å; F70-F160 HydrophobicContact CE2-CD1 3.94Å; F70-F160 AromaticContact CE2-CE1 3.92Å; F70-F160 HydrophobicContact CE2-CE1 3.92Å; F70-F160 HydrophobicContact CG-CD1 4.02Å; F70-F160 AromaticContact CG-CE1 3.87Å; F70-F160 HydrophobicContact CG-CE1 3.87Å; F70-F160 HydrophobicContact CZ-CD1 4.05Å; F70-F160 HydrophobicContact CZ-CE1 4.48Å; F70-E161 HydrophobicContact CD1-CB 3.74Å; F70-E161 HydrophobicContact CD1-CG 3.95Å; F70-E161 HydrophobicContact CE1-CB 3.84Å; F70-E161 HydrophobicContact CE1-CG 4.35Å; F70-V164 HydrophobicContact CB-CB 4.47Å; F70-V164 HydrophobicContact CB-CG1 4.17Å; F70-V164 HydrophobicContact CB-CG2 4.34Å; F70-V164 VanDerWaalsContact O-CG1 3.25Å; F70-V164 WeakPolarHBondContact O-CG1 3.17Å; F70-Q165 PolarHBondContact O-NE2 3.48Å
71	Y	98.7	Very high	98.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.6	14.1	-174.1	-57.3	-88.9	0	0	0	113.1	G69 S73 G74 F76 V99 Y100 H101 F136 P139 F160 V164 M168	G69-Y71 VanDerWaalsContact C-N 3.25Å; G69-Y71 PolarHBondContact O-N 3.24Å; Y71-S73 PolarHBondContact O-N 3.37Å; Y71-G74 PolarHBondContact O-N 3.31Å; Y71-F76 HydrophobicContact CD1-CE1 4.45Å; Y71-F76 AromaticContact CD1-CZ 3.86Å; Y71-F76 HydrophobicContact CD1-CZ 3.86Å; Y71-F76 HydrophobicContact CG-CZ 4.25Å; Y71-V99 HydrophobicContact CD1-CG2 4.13Å; Y71-V99 HydrophobicContact CE1-CG2 3.81Å; Y71-Y100 WeakPolarHBondContact CE1-O 3.39Å; Y71-Y100 PolarHBondContact OH-O 3.29Å; Y71-H101 HydrophobicContact CE1-CB 4.48Å; Y71-H101 AromaticContact CE1-CD2 3.98Å; Y71-H101 AromaticContact CE2-CD2 3.64Å; Y71-H101 AromaticContact CZ-CD2 3.31Å; Y71-H101 WeakPolarHBondContact OH-CA 3.29Å; Y71-H101 PolarHBondContact OH-CD2 2.91Å; Y71-F136 HydrophobicContact CD1-CD1 4.07Å; Y71-F136 HydrophobicContact CD1-CE1 4.38Å; Y71-F136 HydrophobicContact CD2-CB 4.23Å; Y71-F136 AromaticContact CD2-CD1 3.81Å; Y71-F136 HydrophobicContact CD2-CD1 3.81Å; Y71-F136 WeakPolarHBondContact CD2-O 3.26Å; Y71-F136 HydrophobicContact CE2-CD1 4.35Å; Y71-F136 AromaticContact CG-CD1 3.64Å; Y71-F136 HydrophobicContact CG-CD1 3.64Å; Y71-F136 HydrophobicContact CG-CE1 4.38Å; Y71-P139 HydrophobicContact CE2-CG 3.92Å; Y71-F160 WeakPolarHBondContact OH-CZ 3.49Å; Y71-V164 HydrophobicContact CD1-CG1 3.58Å; Y71-V164 HydrophobicContact CE1-CB 4.49Å; Y71-V164 HydrophobicContact CE1-CG1 3.67Å; Y71-V164 HydrophobicContact CE1-CG2 3.97Å; Y71-V164 HydrophobicContact CG-CG1 4.11Å; Y71-M168 HydrophobicContact CD1-SD 4.27Å
72	K	98.5	Very high	98.5	Very high	111 Å²	111	38 Å²	38	48%	0.483	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.9	134.5	173.5	178.4	172.1	-174.9	152.7	0	110.7	P66 D67 G69 F70 G74	P66-K72 WeakPolarHBondContact O-CA 2.89Å; D67-K72 WeakPolarHBondContact O-CD 3.45Å; D67-K72 WeakPolarHBondContact O-CE 3.49Å; D67-K72 WeakPolarHBondContact O-CG 3.38Å; D67-K72 PolarHBondContact O-NZ 3.24Å; D67-K72 VanDerWaalsContact O-NZ 3.1Å; G69-K72 WeakPolarHBondContact O-CB 3.49Å; G69-K72 PolarHBondContact O-N 2.66Å; F70-K72 VanDerWaalsContact C-N 3.34Å; K72-G74 PolarHBondContact O-N 2.88Å
73	S	98.1	Very high	98.5	Very high	69 Å²	69	39.8 Å²	39.8	48%	0.483	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	6.9	-177.3	-50.8	0	0	0	0	115.5	P66 Y71 L182 K183	P66-S73 PolarHBondContact O-N 3.39Å; Y71-S73 PolarHBondContact O-N 3.37Å; S73-L182 CarbonylContact O-C 3.59Å; S73-L182 WeakPolarHBondContact O-CA 3.33Å; S73-K183 PolarHBondContact O-N 3.11Å
74	G	98.6	Very high	98.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-76	164.7	166.7	0	0	0	0	0	112.9	C65 Y71 K72 C181	C65-G74 WeakPolarHBondContact CA-O 3.32Å; Y71-G74 PolarHBondContact O-N 3.31Å; K72-G74 PolarHBondContact O-N 2.88Å; G74-C181 CarbonylContact C-O 3.41Å; G74-C181 WeakPolarHBondContact CA-O 3.49Å
75	K	98.8	Very high	98.4	Very high	97 Å²	97	45.8 Å²	45.8	42%	0.422	26%	0.257	S	S	.	.			trans	-134	113.9	171.1	178.3	-179.1	179.4	180	0	108.7	V63 C181 K183	V63-K75 HydrophobicContact CG1-CG 3.89Å; K75-C181 PolarHBondContact N-O 3.43Å; K75-K183 HydrophobicContact CB-CB 4.28Å
76	F	98.9	Very high	98.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	126.3	-174.6	-50.3	-76.3	0	0	0	110.2	V63 I64 P66 Y71 F78 T97 V99 F136 M168	V63-F76 CarbonylContact C-O 3.58Å; V63-F76 WeakPolarHBondContact CA-O 3.2Å; I64-F76 PolarHBondContact N-O 3.23Å; I64-F76 PolarHBondContact O-N 2.81Å; P66-F76 HydrophobicContact CG-CD2 4.17Å; P66-F76 HydrophobicContact CG-CE2 3.9Å; Y71-F76 HydrophobicContact CD1-CE1 4.45Å; Y71-F76 AromaticContact CD1-CZ 3.86Å; Y71-F76 HydrophobicContact CD1-CZ 3.86Å; Y71-F76 HydrophobicContact CG-CZ 4.25Å; F76-F78 HydrophobicContact CB-CE2 3.79Å; F76-F78 HydrophobicContact CB-CZ 4.42Å; F76-T97 HydrophobicContact CD1-CG2 4.09Å; F76-V99 HydrophobicContact CD1-CB 4.22Å; F76-V99 HydrophobicContact CD1-CG2 4.07Å; F76-V99 HydrophobicContact CE1-CB 4.05Å; F76-V99 HydrophobicContact CE1-CG2 3.5Å; F76-V99 VanDerWaalsContact CE1-CG2 3.5Å; F76-V99 HydrophobicContact CZ-CG2 4.33Å; F76-F136 HydrophobicContact CB-CE1 4.33Å; F76-F136 HydrophobicContact CB-CE2 4.27Å; F76-F136 HydrophobicContact CB-CZ 3.65Å; F76-F136 AromaticContact CD1-CE1 3.79Å; F76-F136 HydrophobicContact CD1-CE1 3.79Å; F76-F136 AromaticContact CD1-CZ 3.93Å; F76-F136 HydrophobicContact CD1-CZ 3.93Å; F76-F136 AromaticContact CD2-CD1 4Å; F76-F136 HydrophobicContact CD2-CD1 4Å; F76-F136 AromaticContact CD2-CE1 3.45Å; F76-F136 HydrophobicContact CD2-CE1 3.45Å; F76-F136 VanDerWaalsContact CD2-CE1 3.45Å; F76-F136 HydrophobicContact CD2-CE2 4.13Å; F76-F136 AromaticContact CD2-CZ 3.52Å; F76-F136 HydrophobicContact CD2-CZ 3.52Å; F76-F136 AromaticContact CE1-CE1 3.94Å; F76-F136 HydrophobicContact CE1-CE1 3.94Å; F76-F136 AromaticContact CE2-CD1 3.86Å; F76-F136 HydrophobicContact CE2-CD1 3.86Å; F76-F136 AromaticContact CE2-CE1 3.61Å; F76-F136 HydrophobicContact CE2-CE1 3.61Å; F76-F136 HydrophobicContact CE2-CZ 4.17Å; F76-F136 AromaticContact CG-CE1 3.55Å; F76-F136 HydrophobicContact CG-CE1 3.55Å; F76-F136 HydrophobicContact CG-CE2 4.26Å; F76-F136 AromaticContact CG-CZ 3.38Å; F76-F136 HydrophobicContact CG-CZ 3.38Å; F76-F136 HydrophobicContact CZ-CD1 4.27Å; F76-F136 AromaticContact CZ-CE1 3.85Å; F76-F136 HydrophobicContact CZ-CE1 3.85Å; F76-M168 HydrophobicContact CZ-SD 4.04Å
77	V	98.8	Very high	98.3	Very high	29 Å²	29	45.4 Å²	45.4	18%	0.176	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.7	-178.7	-174.8	0	0	0	0	109.2	K61 L62 V63 E96 T97	K61-V77 HydrophobicContact CB-CG1 4.48Å; K61-V77 HydrophobicContact CD-CG1 4.02Å; L62-V77 WeakPolarHBondContact O-CA 3.34Å; V63-V77 HydrophobicContact CG2-CG2 4.34Å; V77-E96 HydrophobicContact CB-CB 4.33Å; V77-E96 HydrophobicContact CG1-CB 4.38Å; V77-E96 WeakPolarHBondContact CG1-OE2 3.47Å; V77-E96 PolarHBondContact O-N 3.14Å; V77-T97 PolarHBondContact N-OG1 3.08Å
78	F	98.9	Very high	98.3	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133	175.3	-63.4	-94.5	0	0	0	110.1	K61 L62 I64 F76 F80 V93 K94 C95 I104 V110 L132 F136	K61-F78 CarbonylContact C-O 3.54Å; K61-F78 VanDerWaalsContact CA-O 3.25Å; K61-F78 WeakPolarHBondContact CA-O 3.37Å; L62-F78 HydrophobicContact CB-CB 4.35Å; L62-F78 PolarHBondContact N-O 2.79Å; L62-F78 PolarHBondContact O-N 2.91Å; I64-F78 HydrophobicContact CD1-CD2 4.26Å; I64-F78 HydrophobicContact CD1-CE2 3.93Å; I64-F78 HydrophobicContact CG1-CD2 4.35Å; I64-F78 HydrophobicContact CG1-CE2 4.24Å; F76-F78 HydrophobicContact CB-CE2 3.79Å; F76-F78 HydrophobicContact CB-CZ 4.42Å; F78-F80 HydrophobicContact CB-CD2 4.47Å; F78-F80 HydrophobicContact CB-CE2 4.11Å; F78-V93 HydrophobicContact CB-CG1 4.22Å; F78-V93 HydrophobicContact CD1-CG1 4.09Å; F78-K94 CarbonylContact C-O 3.47Å; F78-K94 WeakPolarHBondContact CA-O 3.35Å; F78-C95 HydrophobicContact CD1-CB 3.95Å; F78-C95 HydrophobicContact CE1-CB 3.73Å; F78-C95 HydrophobicContact CZ-CB 4.5Å; F78-I104 HydrophobicContact CE1-CD1 4.23Å; F78-I104 HydrophobicContact CZ-CD1 4.24Å; F78-V110 HydrophobicContact CD1-CG2 4.16Å; F78-V110 HydrophobicContact CE1-CG2 3.88Å; F78-L132 HydrophobicContact CD1-CD1 4.4Å; F78-L132 HydrophobicContact CD1-CD2 4.31Å; F78-L132 HydrophobicContact CE1-CD2 4.1Å; F78-L132 HydrophobicContact CG-CD1 4.35Å; F78-F136 AromaticContact CE2-CE2 3.7Å; F78-F136 HydrophobicContact CE2-CE2 3.7Å; F78-F136 AromaticContact CE2-CZ 3.93Å; F78-F136 HydrophobicContact CE2-CZ 3.93Å; F78-F136 AromaticContact CZ-CE2 3.58Å; F78-F136 HydrophobicContact CZ-CE2 3.58Å; F78-F136 AromaticContact CZ-CZ 3.63Å; F78-F136 HydrophobicContact CZ-CZ 3.63Å
79	S	98.7	Very high	98.3	Very high	32 Å²	32	47.2 Å²	47.2	22%	0.224	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	133.6	169.6	68.7	0	0	0	0	110.2	V93 K94 E96	S79-V93 WeakPolarHBondContact O-CA 3.45Å; S79-K94 PolarHBondContact N-O 2.94Å; S79-K94 PolarHBondContact O-N 2.8Å; S79-E96 WeakPolarHBondContact CB-OE1 3.28Å
80	F	98.7	Very high	98.3	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.018	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	136.4	172.6	-79.5	-117.7	0	0	0	109.7	N59 F60 L62 F78 P91 K92 V93 I128 L132	N59-F80 WeakPolarHBondContact CA-O 3.39Å; F60-F80 HydrophobicContact CD1-CB 4.1Å; F60-F80 HydrophobicContact CD2-CB 3.7Å; F60-F80 HydrophobicContact CD2-CD2 4.26Å; F60-F80 AromaticContact CD2-CG 3.96Å; F60-F80 HydrophobicContact CD2-CG 3.96Å; F60-F80 HydrophobicContact CE1-CB 3.81Å; F60-F80 HydrophobicContact CE1-CD1 4.44Å; F60-F80 HydrophobicContact CE1-CG 4.41Å; F60-F80 HydrophobicContact CE2-CB 3.4Å; F60-F80 AromaticContact CE2-CD1 3.52Å; F60-F80 HydrophobicContact CE2-CD1 3.52Å; F60-F80 AromaticContact CE2-CD2 3.81Å; F60-F80 HydrophobicContact CE2-CD2 3.81Å; F60-F80 HydrophobicContact CE2-CE1 4.17Å; F60-F80 HydrophobicContact CE2-CE2 4.45Å; F60-F80 AromaticContact CE2-CG 3.29Å; F60-F80 HydrophobicContact CE2-CG 3.29Å; F60-F80 HydrophobicContact CG-CB 4.06Å; F60-F80 HydrophobicContact CZ-CB 3.45Å; F60-F80 VanDerWaalsContact CZ-CB 3.45Å; F60-F80 AromaticContact CZ-CD1 3.43Å; F60-F80 HydrophobicContact CZ-CD1 3.43Å; F60-F80 VanDerWaalsContact CZ-CD1 3.43Å; F60-F80 HydrophobicContact CZ-CD2 4.5Å; F60-F80 HydrophobicContact CZ-CE1 4.26Å; F60-F80 AromaticContact CZ-CG 3.57Å; F60-F80 HydrophobicContact CZ-CG 3.57Å; F60-F80 PolarHBondContact N-O 3.05Å; F60-F80 PolarHBondContact O-N 2.84Å; L62-F80 HydrophobicContact CB-CD2 4.21Å; L62-F80 HydrophobicContact CB-CE2 3.72Å; L62-F80 HydrophobicContact CD2-CE2 3.9Å; L62-F80 HydrophobicContact CD2-CZ 4.15Å; L62-F80 HydrophobicContact CG-CE2 4.49Å; F78-F80 HydrophobicContact CB-CD2 4.47Å; F78-F80 HydrophobicContact CB-CE2 4.11Å; F80-P91 HydrophobicContact CD1-CB 4.41Å; F80-K92 CarbonylContact C-O 3.58Å; F80-K92 WeakPolarHBondContact CA-O 3.3Å; F80-V93 HydrophobicContact CD1-CG2 3.81Å; F80-V93 HydrophobicContact CD2-CG1 4.3Å; F80-V93 HydrophobicContact CD2-CG2 4.35Å; F80-V93 HydrophobicContact CE1-CG2 3.72Å; F80-V93 HydrophobicContact CE2-CG1 3.96Å; F80-V93 HydrophobicContact CE2-CG2 4.23Å; F80-V93 HydrophobicContact CG-CG2 4.14Å; F80-V93 HydrophobicContact CZ-CG1 4.27Å; F80-V93 HydrophobicContact CZ-CG2 3.93Å; F80-I128 HydrophobicContact CE1-CB 4.15Å; F80-I128 HydrophobicContact CE1-CD1 4.43Å; F80-I128 HydrophobicContact CE1-CG2 3.59Å; F80-I128 HydrophobicContact CZ-CG2 3.72Å; F80-L132 HydrophobicContact CE2-CD1 3.82Å; F80-L132 HydrophobicContact CZ-CD1 3.54Å
81	K	98.5	Very high	98.3	Very high	124 Å²	124	46.4 Å²	46.4	54%	0.539	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	108.4	173.1	177.8	167.7	-171.1	165	0	110.5	L58 N59 K92	L58-K81 WeakPolarHBondContact O-CA 3.46Å; N59-K81 WeakPolarHBondContact OD1-CG 3.44Å; K81-K92 HydrophobicContact CB-CB 4.3Å; K81-K92 PolarHBondContact N-O 2.85Å; K81-K92 PolarHBondContact O-N 2.89Å
82	V	98.4	Very high	98.3	Very high	7 Å²	7	54 Å²	54	4%	0.042	28%	0.284	C	S	.	.			trans	-86.5	119.9	179.6	-176.9	0	0	0	0	109.3	I34 L58 F60 Y86 P91	I34-V82 HydrophobicContact CD1-CG2 3.83Å; I34-V82 HydrophobicContact CG1-CG2 4.15Å; L58-V82 HydrophobicContact CB-CB 4.21Å; L58-V82 HydrophobicContact CD2-CB 3.72Å; L58-V82 HydrophobicContact CD2-CG1 3.68Å; L58-V82 PolarHBondContact O-N 2.82Å; F60-V82 HydrophobicContact CE1-CG2 4.1Å; V82-Y86 VanDerWaalsContact CG1-CB 3.49Å; V82-Y86 HydrophobicContact CG1-CD1 3.69Å; V82-Y86 HydrophobicContact CG1-CD2 4.12Å; V82-Y86 HydrophobicContact CG1-CE1 4.44Å; V82-Y86 HydrophobicContact CG1-CG 3.51Å; V82-P91 HydrophobicContact CG2-CB 4.15Å; V82-P91 HydrophobicContact CG2-CG 4.27Å
83	G	97.7	Very high	98.4	Very high	38 Å²	38	49.6 Å²	49.6	39%	0.392	27%	0.266	S	S	.	.			trans	-82.9	167.1	177.6	0	0	0	0	0	113	G85 Y86	G83-G85 PolarHBondContact O-N 2.9Å; G83-Y86 VanDerWaalsContact O-CB 3.29Å; G83-Y86 WeakPolarHBondContact O-CB 3.32Å; G83-Y86 PolarHBondContact O-N 2.48Å; G83-Y86 VanDerWaalsContact O-N 3.13Å
84	Q	97.2	Very high	98.4	Very high	126 Å²	126	49.8 Å²	49.8	59%	0.589	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-16.1	176.9	-64.2	-58.3	-40.8	0	0	113.8	S28 Y86	S28-Q84 VanDerWaalsContact CB-OE1 3.26Å; S28-Q84 PolarHBondContact OG-OE1 2.77Å; Q84-Y86 VanDerWaalsContact C-N 3.3Å
85	G	97.5	Very high	98.4	Very high	25 Å²	25	50.2 Å²	50.2	26%	0.258	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-4.8	173.7	0	0	0	0	0	114.4	G83 H88 D89	G83-G85 PolarHBondContact O-N 2.9Å; G85-H88 WeakPolarHBondContact O-CA 3.39Å; G85-H88 VanDerWaalsContact O-CB 3.31Å; G85-H88 WeakPolarHBondContact O-CB 3.36Å; G85-H88 PolarHBondContact O-N 3.34Å; G85-D89 PolarHBondContact O-N 3.43Å; G85-D89 VanDerWaalsContact O-N 3.08Å
86	Y	98.3	Very high	98.4	Very high	3 Å²	3	50.2 Å²	50.2	1%	0.012	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	132.6	178.1	-171.2	-111	0	0	0	111.1	A30 R33 I34 D37 V82 G83 Q84 D89 P91 W119	A30-Y86 WeakPolarHBondContact CA-O 3.19Å; R33-Y86 HydrophobicContact CB-CD1 4.19Å; R33-Y86 HydrophobicContact CB-CE1 4.25Å; R33-Y86 HydrophobicContact CG-CD1 3.87Å; R33-Y86 HydrophobicContact CG-CE1 3.54Å; I34-Y86 HydrophobicContact CB-CD1 4.42Å; I34-Y86 HydrophobicContact CB-CE1 4.33Å; I34-Y86 HydrophobicContact CD1-CE1 4.22Å; D37-Y86 WeakPolarHBondContact OD2-CE1 3.34Å; D37-Y86 PolarHBondContact OD2-OH 2.73Å; V82-Y86 VanDerWaalsContact CG1-CB 3.49Å; V82-Y86 HydrophobicContact CG1-CD1 3.69Å; V82-Y86 HydrophobicContact CG1-CD2 4.12Å; V82-Y86 HydrophobicContact CG1-CE1 4.44Å; V82-Y86 HydrophobicContact CG1-CG 3.51Å; G83-Y86 VanDerWaalsContact O-CB 3.29Å; G83-Y86 WeakPolarHBondContact O-CB 3.32Å; G83-Y86 PolarHBondContact O-N 2.48Å; G83-Y86 VanDerWaalsContact O-N 3.13Å; Q84-Y86 VanDerWaalsContact C-N 3.3Å; Y86-D89 WeakPolarHBondContact CD2-O 3.35Å; Y86-P91 HydrophobicContact CD2-CG 4.03Å; Y86-P91 HydrophobicContact CE2-CG 3.74Å; Y86-W119 HydrophobicContact CD2-CH2 4.46Å; Y86-W119 HydrophobicContact CD2-CZ2 4.11Å; Y86-W119 AromaticContact CE2-CH2 3.61Å; Y86-W119 HydrophobicContact CE2-CH2 3.61Å; Y86-W119 AromaticContact CE2-CZ2 3.65Å; Y86-W119 HydrophobicContact CE2-CZ2 3.65Å
87	P	98	Very high	98.4	Very high	21 Å²	21	51.4 Å²	51.4	14%	0.136	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	cis	-96.1	8.9	9.5	39	-37.8	0	0	0	115.4	R33 W119 P121	R33-P87 HydrophobicContact CG-CB 4.09Å; R33-P87 HydrophobicContact CG-CG 4.07Å; R33-P87 VanDerWaalsContact NH1-CB 3.25Å; R33-P87 VanDerWaalsContact NH1-CG 3.31Å; P87-W119 HydrophobicContact CB-CZ2 4.44Å; P87-W119 WeakPolarHBondContact O-CZ2 3.48Å; P87-W119 PolarHBondContact O-NE1 3.33Å; P87-P121 HydrophobicContact CB-CB 4.13Å; P87-P121 HydrophobicContact CG-CB 4.07Å; P87-P121 WeakPolarHBondContact O-CA 3.49Å; P87-P121 WeakPolarHBondContact O-CB 3.48Å
88	H	98.1	Very high	98.4	Very high	146 Å²	146	52.5 Å²	52.5	68%	0.676	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-41	176.3	-64.2	-69.9	0	0	0	111.7	G85 W119	G85-H88 WeakPolarHBondContact O-CA 3.39Å; G85-H88 VanDerWaalsContact O-CB 3.31Å; G85-H88 WeakPolarHBondContact O-CB 3.36Å; G85-H88 PolarHBondContact O-N 3.34Å; H88-W119 PolarHBondContact O-NE1 3.15Å
89	D	98.2	Very high	98.4	Very high	100 Å²	100	52.7 Å²	52.7	54%	0.535	27%	0.274	S	S	.	.	S	Bend	trans	-98	142.6	170.8	-57.6	-41.2	0	0	0	110.5	G85 Y86	G85-D89 PolarHBondContact O-N 3.43Å; G85-D89 VanDerWaalsContact O-N 3.08Å; Y86-D89 WeakPolarHBondContact CD2-O 3.35Å
90	P	98.3	Very high	98.4	Very high	38 Å²	38	51.4 Å²	51.4	25%	0.247	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-67.5	155.8	173.2	26.9	-31.1	0	0	0	111.2	L115 W119	P90-L115 HydrophobicContact CB-CD2 4.39Å; P90-L115 WeakPolarHBondContact CG-O 3.35Å; P90-W119 HydrophobicContact CB-CB 4.23Å; P90-W119 HydrophobicContact CB-CD2 3.56Å; P90-W119 HydrophobicContact CB-CE3 3.9Å; P90-W119 HydrophobicContact CB-CG 3.71Å; P90-W119 HydrophobicContact CG-CB 4.27Å; P90-W119 HydrophobicContact CG-CD2 4.39Å; P90-W119 HydrophobicContact CG-CG 4.01Å
91	P	98.5	Very high	98.4	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.026	26%	0.264	C	S	.	.	P	Polyproline II helix	trans	-59.6	147.4	166	-20.1	33.6	0	0	0	111.1	F80 V82 Y86 I125 I128	F80-P91 HydrophobicContact CD1-CB 4.41Å; V82-P91 HydrophobicContact CG2-CB 4.15Å; V82-P91 HydrophobicContact CG2-CG 4.27Å; Y86-P91 HydrophobicContact CD2-CG 4.03Å; Y86-P91 HydrophobicContact CE2-CG 3.74Å; P91-I125 HydrophobicContact CG-CD1 3.82Å; P91-I128 HydrophobicContact CB-CD1 4.42Å; P91-I128 HydrophobicContact CG-CD1 3.65Å
92	K	98.5	Very high	98.4	Very high	160 Å²	160	45.3 Å²	45.3	70%	0.696	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	125.8	168.7	-65.2	-175.5	178.9	-175.8	0	108.9	F80 K81	F80-K92 CarbonylContact C-O 3.58Å; F80-K92 WeakPolarHBondContact CA-O 3.3Å; K81-K92 HydrophobicContact CB-CB 4.3Å; K81-K92 PolarHBondContact N-O 2.85Å; K81-K92 PolarHBondContact O-N 2.89Å
93	V	98.8	Very high	98.4	Very high	17 Å²	17	45 Å²	45	10%	0.103	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	136.6	177.4	-175.7	0	0	0	0	109.6	F78 S79 F80 L115 I128 L132	F78-V93 HydrophobicContact CB-CG1 4.22Å; F78-V93 HydrophobicContact CD1-CG1 4.09Å; S79-V93 WeakPolarHBondContact O-CA 3.45Å; F80-V93 HydrophobicContact CD1-CG2 3.81Å; F80-V93 HydrophobicContact CD2-CG1 4.3Å; F80-V93 HydrophobicContact CD2-CG2 4.35Å; F80-V93 HydrophobicContact CE1-CG2 3.72Å; F80-V93 HydrophobicContact CE2-CG1 3.96Å; F80-V93 HydrophobicContact CE2-CG2 4.23Å; F80-V93 HydrophobicContact CG-CG2 4.14Å; F80-V93 HydrophobicContact CZ-CG1 4.27Å; F80-V93 HydrophobicContact CZ-CG2 3.93Å; V93-L115 HydrophobicContact CB-CD1 3.75Å; V93-L115 HydrophobicContact CG2-CD1 3.76Å; V93-L115 HydrophobicContact CG2-CD2 3.93Å; V93-I128 HydrophobicContact CG2-CG2 4.24Å; V93-L132 HydrophobicContact CG1-CD1 4.08Å; V93-L132 HydrophobicContact CG1-CD2 4.45Å
94	K	98.7	Very high	98.4	Very high	73 Å²	73	43.4 Å²	43.4	32%	0.317	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.4	175.4	-78.8	-70.4	-156.4	157.9	0	109.8	F78 S79 E107 G108 N109	F78-K94 CarbonylContact C-O 3.47Å; F78-K94 WeakPolarHBondContact CA-O 3.35Å; S79-K94 PolarHBondContact N-O 2.94Å; S79-K94 PolarHBondContact O-N 2.8Å; K94-E107 PolarHBondContact NZ-O 3.13Å; K94-G108 CarbonylContact C-O 3.54Å; K94-G108 WeakPolarHBondContact CA-O 3.18Å; K94-G108 WeakPolarHBondContact CD-O 3.27Å; K94-N109 VanDerWaalsContact CE-OD1 3.32Å; K94-N109 WeakPolarHBondContact CE-OD1 3.37Å; K94-N109 PolarHBondContact NZ-OD1 3.18Å
95	C	98.8	Very high	98.5	Very high	9 Å²	9	38.9 Å²	38.9	6%	0.061	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	121.5	168.1	-166.5	0	0	0	0	108.8	F78 T97 I104 G108 V110	F78-C95 HydrophobicContact CD1-CB 3.95Å; F78-C95 HydrophobicContact CE1-CB 3.73Å; F78-C95 HydrophobicContact CZ-CB 4.5Å; C95-T97 PolarHBondContact SG-O 3.33Å; C95-I104 HydrophobicContact CB-CD1 4.42Å; C95-I104 HydrophobicContact CB-CG2 3.79Å; C95-G108 PolarHBondContact N-O 3.23Å; C95-G108 VanDerWaalsContact O-CA 3.24Å; C95-G108 WeakPolarHBondContact O-CA 3.4Å; C95-V110 HydrophobicContact CB-CG2 4.11Å
96	E	98.7	Very high	98.5	Very high	97 Å²	97	41.8 Å²	41.8	45%	0.453	21%	0.208	S	C	.	.			trans	-89.2	-11.3	174.3	-61.8	-174.4	165.6	0	0	112	K61 V77 S79	K61-E96 VanDerWaalsContact CE-OE1 3.29Å; K61-E96 WeakPolarHBondContact CE-OE1 3.39Å; K61-E96 WeakPolarHBondContact CE-OE2 3.48Å; K61-E96 VanDerWaalsContact NZ-CD 3.3Å; K61-E96 IonicContact NZ-OE1 3.6Å; K61-E96 PolarHBondContact NZ-OE1 3.37Å; K61-E96 VanDerWaalsContact NZ-OE1 3.07Å; K61-E96 IonicContact NZ-OE2 3.64Å; K61-E96 PolarHBondContact NZ-OE2 3.37Å; V77-E96 HydrophobicContact CB-CB 4.33Å; V77-E96 HydrophobicContact CG1-CB 4.38Å; V77-E96 WeakPolarHBondContact CG1-OE2 3.47Å; V77-E96 PolarHBondContact O-N 3.14Å; S79-E96 WeakPolarHBondContact CB-OE1 3.28Å
97	T	98.7	Very high	98.5	Very high	25 Å²	25	48 Å²	48	15%	0.153	24%	0.237	C	C	.	.	S	Bend	trans	-97	123.5	178.4	-54.9	0	0	0	0	110.5	F76 V77 C95 V99 C181	F76-T97 HydrophobicContact CD1-CG2 4.09Å; V77-T97 PolarHBondContact N-OG1 3.08Å; C95-T97 PolarHBondContact SG-O 3.33Å; T97-V99 PolarHBondContact O-N 3.3Å; T97-C181 HydrophobicContact CG2-CB 3.49Å; T97-C181 VanDerWaalsContact CG2-CB 3.49Å
98	M	98.5	Very high	98.5	Very high	52 Å²	52	47.3 Å²	47.3	26%	0.256	23%	0.234	S	C	.	.			trans	-64.3	123.9	171.9	-166.6	-178.1	-170.6	0	0	109.8	L106 T176 Y177 F178 E179	M98-L106 HydrophobicContact CE-CD1 4.43Å; M98-L106 HydrophobicContact CE-CD2 3.81Å; M98-T176 HydrophobicContact CE-CG2 3.86Å; M98-Y177 WeakPolarHBondContact CE-O 3.46Å; M98-F178 HydrophobicContact CE-CD1 4.24Å; M98-F178 HydrophobicContact CE-CE1 4.4Å; M98-F178 HydrophobicContact CG-CD1 3.97Å; M98-F178 HydrophobicContact CG-CE1 4.44Å; M98-F178 HydrophobicContact SD-CD1 4.47Å; M98-E179 HydrophobicContact SD-CG 4.25Å
99	V	98.7	Very high	98.5	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.03	22%	0.218	C	C	.	.			trans	-146.3	139.7	-174.1	62	0	0	0	0	111.3	Y71 F76 T97 H101 I104 F178	Y71-V99 HydrophobicContact CD1-CG2 4.13Å; Y71-V99 HydrophobicContact CE1-CG2 3.81Å; F76-V99 HydrophobicContact CD1-CB 4.22Å; F76-V99 HydrophobicContact CD1-CG2 4.07Å; F76-V99 HydrophobicContact CE1-CB 4.05Å; F76-V99 HydrophobicContact CE1-CG2 3.5Å; F76-V99 VanDerWaalsContact CE1-CG2 3.5Å; F76-V99 HydrophobicContact CZ-CG2 4.33Å; T97-V99 PolarHBondContact O-N 3.3Å; V99-H101 HydrophobicContact CG1-CB 4.12Å; V99-H101 HydrophobicContact CG2-CB 4.26Å; V99-H101 PolarHBondContact O-N 2.86Å; V99-I104 HydrophobicContact CG1-CB 4.2Å; V99-I104 HydrophobicContact CG1-CD1 3.86Å; V99-I104 HydrophobicContact CG1-CG2 4.07Å; V99-F178 VanDerWaalsContact C-CE1 3.46Å; V99-F178 WeakPolarHBondContact O-CE1 3.3Å
100	Y	98.8	Very high	98.5	Very high	5 Å²	5	39.6 Å²	39.6	2%	0.02	20%	0.198	C	C	.	.			trans	-79.6	96.6	171.1	-179.9	-100.6	0	0	0	109.1	Y71 A149 F160 N163 V164 S167 I173 F178	Y71-Y100 WeakPolarHBondContact CE1-O 3.39Å; Y71-Y100 PolarHBondContact OH-O 3.29Å; Y100-A149 HydrophobicContact CD1-CB 4.5Å; Y100-A149 HydrophobicContact CD2-CB 4.33Å; Y100-A149 HydrophobicContact CE1-CB 4.02Å; Y100-A149 HydrophobicContact CE2-CB 3.83Å; Y100-A149 WeakPolarHBondContact OH-CA 3.35Å; Y100-F160 HydrophobicContact CD1-CE2 4.33Å; Y100-F160 AromaticContact CE1-CD2 3.88Å; Y100-F160 HydrophobicContact CE1-CD2 3.88Å; Y100-F160 AromaticContact CE1-CE2 3.8Å; Y100-F160 HydrophobicContact CE1-CE2 3.8Å; Y100-N163 HydrophobicContact CD1-CB 4.16Å; Y100-N163 HydrophobicContact CE1-CB 3.68Å; Y100-V164 HydrophobicContact CD1-CG2 3.97Å; Y100-S167 WeakPolarHBondContact CB-OG 3.24Å; Y100-I173 HydrophobicContact CD2-CB 4.44Å; Y100-I173 HydrophobicContact CD2-CG1 4.31Å; Y100-I173 HydrophobicContact CD2-CG2 4.18Å; Y100-I173 HydrophobicContact CE2-CB 4.46Å; Y100-I173 HydrophobicContact CE2-CG2 3.72Å; Y100-F178 HydrophobicContact CD2-CE1 4.48Å; Y100-F178 HydrophobicContact CD2-CE2 4.11Å; Y100-F178 AromaticContact CD2-CZ 3.84Å; Y100-F178 HydrophobicContact CD2-CZ 3.84Å; Y100-F178 HydrophobicContact CG-CZ 4.44Å
101	H	98.8	Very high	98.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-145.5	135.8	-175.2	-169.4	-74	0	0	0	111.8	Y71 V99 N103 I104 L135 N146	Y71-H101 HydrophobicContact CE1-CB 4.48Å; Y71-H101 AromaticContact CE1-CD2 3.98Å; Y71-H101 AromaticContact CE2-CD2 3.64Å; Y71-H101 AromaticContact CZ-CD2 3.31Å; Y71-H101 WeakPolarHBondContact OH-CA 3.29Å; Y71-H101 PolarHBondContact OH-CD2 2.91Å; V99-H101 HydrophobicContact CG1-CB 4.12Å; V99-H101 HydrophobicContact CG2-CB 4.26Å; V99-H101 PolarHBondContact O-N 2.86Å; H101-N103 VanDerWaalsContact C-N 3.31Å; H101-N103 PolarHBondContact CE1-OD1 3.43Å; H101-N103 PolarHBondContact ND1-N 2.81Å; H101-N103 PolarHBondContact O-N 2.9Å; H101-I104 HydrophobicContact CB-CB 4.13Å; H101-I104 HydrophobicContact CB-CD1 4.31Å; H101-I104 HydrophobicContact CB-CG1 4.26Å; H101-I104 PolarHBondContact O-N 2.79Å; H101-L135 PolarHBondContact NE2-O 2.72Å; H101-N146 VanDerWaalsContact O-CB 3.29Å; H101-N146 WeakPolarHBondContact O-CB 3.36Å
102	P	98.6	Very high	98.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-42.9	179.5	-28.4	35.3	0	0	0	114.3	P139 P144 L145 N146 A149 A150 L153 F160	P102-P139 HydrophobicContact CG-CB 3.93Å; P102-P144 CarbonylContact O-C 3.53Å; P102-P144 WeakPolarHBondContact O-CA 3.4Å; P102-L145 PolarHBondContact O-N 3.36Å; P102-N146 PolarHBondContact O-N 3.5Å; P102-A149 HydrophobicContact CG-CB 4.15Å; P102-A150 HydrophobicContact CB-CB 4.14Å; P102-L153 HydrophobicContact CG-CD2 3.97Å; P102-F160 HydrophobicContact CG-CE2 3.99Å; P102-F160 HydrophobicContact CG-CZ 4.11Å
103	N	98.7	Very high	98.3	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.011	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	10.6	-175.9	-48	104	0	0	0	115.4	H101 C111 L135 N140 D143	H101-N103 VanDerWaalsContact C-N 3.31Å; H101-N103 PolarHBondContact CE1-OD1 3.43Å; H101-N103 PolarHBondContact ND1-N 2.81Å; H101-N103 PolarHBondContact O-N 2.9Å; N103-C111 HydrophobicContact CB-CB 4.24Å; N103-C111 PolarHBondContact O-N 3.33Å; N103-L135 HydrophobicContact CB-CD1 4.5Å; N103-L135 HydrophobicContact CB-CD2 4.21Å; N103-N140 PolarHBondContact ND2-O 2.93Å; N103-N140 PolarHBondContact OD1-N 3.47Å; N103-N140 PolarHBondContact OD1-O 3.41Å; N103-D143 PolarHBondContact ND2-O 3.44Å
104	I	98.7	Very high	98.2	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.015	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-131.9	127.3	178.1	-54	175.5	0	0	0	108.9	F78 C95 V99 H101 N109 V110 F136	F78-I104 HydrophobicContact CE1-CD1 4.23Å; F78-I104 HydrophobicContact CZ-CD1 4.24Å; C95-I104 HydrophobicContact CB-CD1 4.42Å; C95-I104 HydrophobicContact CB-CG2 3.79Å; V99-I104 HydrophobicContact CG1-CB 4.2Å; V99-I104 HydrophobicContact CG1-CD1 3.86Å; V99-I104 HydrophobicContact CG1-CG2 4.07Å; H101-I104 HydrophobicContact CB-CB 4.13Å; H101-I104 HydrophobicContact CB-CD1 4.31Å; H101-I104 HydrophobicContact CB-CG1 4.26Å; H101-I104 PolarHBondContact O-N 2.79Å; I104-N109 WeakPolarHBondContact CA-O 3.35Å; I104-V110 HydrophobicContact CG1-CG1 4.41Å; I104-V110 HydrophobicContact CG1-CG2 4.39Å; I104-F136 HydrophobicContact CD1-CZ 4.42Å
105	D	98.1	Very high	98.1	Very high	31 Å²	31	32.2 Å²	32.2	17%	0.166	17%	0.167	C	C	.	.			trans	-89.5	175.6	173.5	64.7	22.5	0	0	0	113	E107 G108 N109 L145	D105-E107 PolarHBondContact O-N 3.29Å; D105-E107 PolarHBondContact OD1-N 2.99Å; D105-G108 PolarHBondContact O-N 3.38Å; D105-G108 VanDerWaalsContact O-N 3.13Å; D105-G108 PolarHBondContact OD1-N 2.75Å; D105-N109 VanDerWaalsContact CG-ND2 3.35Å; D105-N109 PolarHBondContact N-O 3.44Å; D105-N109 WeakPolarHBondContact OD1-CB 3.33Å; D105-N109 PolarHBondContact OD1-N 3.2Å; D105-N109 PolarHBondContact OD1-ND2 2.92Å; D105-N109 VanDerWaalsContact OD2-CB 3.28Å; D105-N109 WeakPolarHBondContact OD2-CB 3.41Å; D105-N109 PolarHBondContact OD2-ND2 3.36Å; D105-L145 HydrophobicContact CB-CB 4.06Å
106	L	97.7	Very high	98	Very high	86 Å²	86	38 Å²	38	45%	0.45	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-19	-177.4	-56.2	-175.7	0	0	0	112.3	M98 G108 T176 F178	M98-L106 HydrophobicContact CE-CD1 4.43Å; M98-L106 HydrophobicContact CE-CD2 3.81Å; L106-G108 VanDerWaalsContact C-N 3.25Å; L106-T176 HydrophobicContact CD1-CG2 3.98Å; L106-F178 HydrophobicContact CD2-CE1 3.76Å; L106-F178 HydrophobicContact CD2-CZ 3.96Å
107	E	98	Very high	97.8	Very high	135 Å²	135	38.7 Å²	38.7	63%	0.631	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	4.3	172.4	-61.4	74.5	-162.9	0	0	113.1	K94 D105 N109	K94-E107 PolarHBondContact NZ-O 3.13Å; D105-E107 PolarHBondContact O-N 3.29Å; D105-E107 PolarHBondContact OD1-N 2.99Å; E107-N109 VanDerWaalsContact C-N 3.31Å; E107-N109 PolarHBondContact O-N 3.18Å
108	G	98.3	Very high	97.8	Very high	6 Å²	6	41.2 Å²	41.2	6%	0.062	20%	0.203	C	C	.	.			trans	75.4	11.8	176.3	0	0	0	0	0	114.7	K94 C95 D105 L106	K94-G108 CarbonylContact C-O 3.54Å; K94-G108 WeakPolarHBondContact CA-O 3.18Å; K94-G108 WeakPolarHBondContact CD-O 3.27Å; C95-G108 PolarHBondContact N-O 3.23Å; C95-G108 VanDerWaalsContact O-CA 3.24Å; C95-G108 WeakPolarHBondContact O-CA 3.4Å; D105-G108 PolarHBondContact O-N 3.38Å; D105-G108 VanDerWaalsContact O-N 3.13Å; D105-G108 PolarHBondContact OD1-N 2.75Å; L106-G108 VanDerWaalsContact C-N 3.25Å
109	N	98.5	Very high	97.8	Very high	65 Å²	65	39.6 Å²	39.6	35%	0.348	19%	0.194	S	C	.	.	B	Isolated β-bridge	trans	-64.4	142.6	168.9	-57.1	-67.4	0	0	0	109.6	K94 I104 D105 E107 L145	K94-N109 VanDerWaalsContact CE-OD1 3.32Å; K94-N109 WeakPolarHBondContact CE-OD1 3.37Å; K94-N109 PolarHBondContact NZ-OD1 3.18Å; I104-N109 WeakPolarHBondContact CA-O 3.35Å; D105-N109 VanDerWaalsContact CG-ND2 3.35Å; D105-N109 PolarHBondContact N-O 3.44Å; D105-N109 WeakPolarHBondContact OD1-CB 3.33Å; D105-N109 PolarHBondContact OD1-N 3.2Å; D105-N109 PolarHBondContact OD1-ND2 2.92Å; D105-N109 VanDerWaalsContact OD2-CB 3.28Å; D105-N109 WeakPolarHBondContact OD2-CB 3.41Å; D105-N109 PolarHBondContact OD2-ND2 3.36Å; E107-N109 VanDerWaalsContact C-N 3.31Å; E107-N109 PolarHBondContact O-N 3.18Å; N109-L145 HydrophobicContact CB-CD1 3.96Å; N109-L145 VanDerWaalsContact O-CD1 3.29Å; N109-L145 WeakPolarHBondContact O-CD1 3.31Å
110	V	98.4	Very high	97.7	Very high	18 Å²	18	44.9 Å²	44.9	11%	0.109	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-118.5	124	-179.7	-175.3	0	0	0	0	108.6	F78 C95 I104 L112 L132 L135	F78-V110 HydrophobicContact CD1-CG2 4.16Å; F78-V110 HydrophobicContact CE1-CG2 3.88Å; C95-V110 HydrophobicContact CB-CG2 4.11Å; I104-V110 HydrophobicContact CG1-CG1 4.41Å; I104-V110 HydrophobicContact CG1-CG2 4.39Å; V110-L112 HydrophobicContact CG1-CB 4.36Å; V110-L112 PolarHBondContact O-N 2.89Å; V110-L132 HydrophobicContact CG1-CD2 3.83Å; V110-L135 HydrophobicContact CG1-CD1 3.86Å
111	C	97.7	Very high	97.7	Very high	9 Å²	9	47.1 Å²	47.1	6%	0.061	23%	0.232	C	C	.	.			trans	-88.9	99.5	169.6	-169.7	0	0	0	0	109.6	N103 D143 L145	N103-C111 HydrophobicContact CB-CB 4.24Å; N103-C111 PolarHBondContact O-N 3.33Å; C111-D143 PolarHBondContact SG-OD2 2.97Å; C111-L145 HydrophobicContact CB-CD1 3.92Å; C111-L145 HydrophobicContact CB-CD2 4.33Å; C111-L145 HydrophobicContact CB-CG 3.79Å
112	L	97.5	Very high	97.7	Very high	10 Å²	10	52.9 Å²	52.9	5%	0.052	27%	0.267	C	S	.	.			trans	-131.4	119.5	171.7	178.2	62.1	0	0	0	107.1	V110 I114 L115 I128 L132 L135	V110-L112 HydrophobicContact CG1-CB 4.36Å; V110-L112 PolarHBondContact O-N 2.89Å; L112-I114 VanDerWaalsContact C-N 3.27Å; L112-I114 HydrophobicContact CD1-CG1 4.16Å; L112-I114 HydrophobicContact CD2-CD1 4.17Å; L112-I114 HydrophobicContact CD2-CG1 3.79Å; L112-I114 HydrophobicContact CG-CD1 4.49Å; L112-I114 HydrophobicContact CG-CG1 3.66Å; L112-I114 PolarHBondContact O-N 2.88Å; L112-L115 HydrophobicContact CB-CD1 4.05Å; L112-L115 HydrophobicContact CB-CG 4.26Å; L112-L115 HydrophobicContact CD2-CD1 4.04Å; L112-L115 HydrophobicContact CD2-CG 4.07Å; L112-L115 HydrophobicContact CG-CG 4.39Å; L112-L115 WeakPolarHBondContact O-CB 3.37Å; L112-L115 PolarHBondContact O-N 3.36Å; L112-I128 HydrophobicContact CD2-CG2 4.46Å; L112-L132 HydrophobicContact CD2-CD2 4.01Å; L112-L132 HydrophobicContact CD2-CG 4.11Å; L112-L135 HydrophobicContact CB-CD1 4.3Å; L112-L135 HydrophobicContact CD1-CD1 4.33Å; L112-L135 HydrophobicContact CD1-CD2 4.5Å; L112-L135 HydrophobicContact CD1-CG 4.33Å
113	N	95.5	Very high	97.7	Very high	68 Å²	68	54.6 Å²	54.6	36%	0.364	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-51.4	-42.6	-175.1	63.3	-39.6	0	0	0	113.3	L115 R116 E117 D118	N113-L115 PolarHBondContact O-N 3.1Å; N113-R116 CarbonylContact O-C 3.49Å; N113-R116 WeakPolarHBondContact O-CA 3.43Å; N113-R116 PolarHBondContact O-N 3.46Å; N113-E117 WeakPolarHBondContact CA-OE1 3.36Å; N113-E117 WeakPolarHBondContact CB-OE1 3.32Å; N113-E117 PolarHBondContact O-N 2.92Å; N113-D118 HydrophobicContact CB-CB 4.27Å; N113-D118 PolarHBondContact ND2-OD2 3.12Å; N113-D118 PolarHBondContact O-N 3.31Å; N113-D118 VanDerWaalsContact O-N 3.11Å
114	I	97.4	Very high	97.6	Very high	28 Å²	28	55.9 Å²	55.9	14%	0.144	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-70.6	-8.5	179.2	60.7	165.4	0	0	0	113.9	L112 D118 W119 L123 S127 I128	L112-I114 VanDerWaalsContact C-N 3.27Å; L112-I114 HydrophobicContact CD1-CG1 4.16Å; L112-I114 HydrophobicContact CD2-CD1 4.17Å; L112-I114 HydrophobicContact CD2-CG1 3.79Å; L112-I114 HydrophobicContact CG-CD1 4.49Å; L112-I114 HydrophobicContact CG-CG1 3.66Å; L112-I114 PolarHBondContact O-N 2.88Å; I114-D118 HydrophobicContact CG2-CB 4.23Å; I114-W119 WeakPolarHBondContact O-CB 3.26Å; I114-W119 VanDerWaalsContact O-CE3 3.23Å; I114-L123 HydrophobicContact CB-CD1 3.9Å; I114-L123 HydrophobicContact CG2-CD1 3.98Å; I114-S127 VanDerWaalsContact CD1-O 3.27Å; I114-S127 WeakPolarHBondContact CD1-O 3.45Å; I114-I128 HydrophobicContact CD1-CG1 4.47Å
115	L	97.3	Very high	97.6	Very high	22 Å²	22	55.8 Å²	55.8	12%	0.115	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-92.4	2.2	168.5	-67.5	176.5	0	0	0	112.6	P90 V93 L112 N113 I128	P90-L115 HydrophobicContact CB-CD2 4.39Å; P90-L115 WeakPolarHBondContact CG-O 3.35Å; V93-L115 HydrophobicContact CB-CD1 3.75Å; V93-L115 HydrophobicContact CG2-CD1 3.76Å; V93-L115 HydrophobicContact CG2-CD2 3.93Å; L112-L115 HydrophobicContact CB-CD1 4.05Å; L112-L115 HydrophobicContact CB-CG 4.26Å; L112-L115 HydrophobicContact CD2-CD1 4.04Å; L112-L115 HydrophobicContact CD2-CG 4.07Å; L112-L115 HydrophobicContact CG-CG 4.39Å; L112-L115 WeakPolarHBondContact O-CB 3.37Å; L112-L115 PolarHBondContact O-N 3.36Å; N113-L115 PolarHBondContact O-N 3.1Å; L115-I128 HydrophobicContact CD1-CG2 4.43Å; L115-I128 HydrophobicContact CD2-CD1 3.86Å; L115-I128 HydrophobicContact CD2-CG1 4.03Å; L115-I128 HydrophobicContact CD2-CG2 3.86Å; L115-I128 HydrophobicContact CG-CG2 4.37Å
116	R	95.2	Very high	97.6	Very high	131 Å²	131	55.5 Å²	55.5	49%	0.494	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.3	-116.7	-172.3	-57.3	179.1	102.2	-173.2	5.6	110.3	N113 D118 W119 D143	N113-R116 CarbonylContact O-C 3.49Å; N113-R116 WeakPolarHBondContact O-CA 3.43Å; N113-R116 PolarHBondContact O-N 3.46Å; R116-D118 VanDerWaalsContact C-N 3.31Å; R116-D118 PolarHBondContact O-N 2.95Å; R116-W119 WeakPolarHBondContact O-CB 3.37Å; R116-W119 PolarHBondContact O-N 3.47Å; R116-D143 IonicContact NH1-OD2 3.43Å
117	E	95.7	Very high	97.6	Very high	112 Å²	112	53.2 Å²	53.2	52%	0.523	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.8	-174.2	60.5	-76	168.9	0	0	114.4	N113	N113-E117 WeakPolarHBondContact CA-OE1 3.36Å; N113-E117 WeakPolarHBondContact CB-OE1 3.32Å; N113-E117 PolarHBondContact O-N 2.92Å
118	D	97.5	Very high	97.7	Very high	77 Å²	77	46.8 Å²	46.8	41%	0.412	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	1.6	-177.5	-71.8	-18.9	0	0	0	113.1	N113 I114 R116 K120	N113-D118 HydrophobicContact CB-CB 4.27Å; N113-D118 PolarHBondContact ND2-OD2 3.12Å; N113-D118 PolarHBondContact O-N 3.31Å; N113-D118 VanDerWaalsContact O-N 3.11Å; I114-D118 HydrophobicContact CG2-CB 4.23Å; R116-D118 VanDerWaalsContact C-N 3.31Å; R116-D118 PolarHBondContact O-N 2.95Å; D118-K120 PolarHBondContact O-N 3.18Å
119	W	98.5	Very high	97.7	Very high	18 Å²	18	46.5 Å²	46.5	7%	0.068	24%	0.24	C	C	.	.			trans	-59.9	132.2	174.2	177.8	-107.6	0	0	0	110.8	Y86 P87 H88 P90 I114 R116 L123 I128	Y86-W119 HydrophobicContact CD2-CH2 4.46Å; Y86-W119 HydrophobicContact CD2-CZ2 4.11Å; Y86-W119 AromaticContact CE2-CH2 3.61Å; Y86-W119 HydrophobicContact CE2-CH2 3.61Å; Y86-W119 AromaticContact CE2-CZ2 3.65Å; Y86-W119 HydrophobicContact CE2-CZ2 3.65Å; P87-W119 HydrophobicContact CB-CZ2 4.44Å; P87-W119 WeakPolarHBondContact O-CZ2 3.48Å; P87-W119 PolarHBondContact O-NE1 3.33Å; H88-W119 PolarHBondContact O-NE1 3.15Å; P90-W119 HydrophobicContact CB-CB 4.23Å; P90-W119 HydrophobicContact CB-CD2 3.56Å; P90-W119 HydrophobicContact CB-CE3 3.9Å; P90-W119 HydrophobicContact CB-CG 3.71Å; P90-W119 HydrophobicContact CG-CB 4.27Å; P90-W119 HydrophobicContact CG-CD2 4.39Å; P90-W119 HydrophobicContact CG-CG 4.01Å; I114-W119 WeakPolarHBondContact O-CB 3.26Å; I114-W119 VanDerWaalsContact O-CE3 3.23Å; R116-W119 WeakPolarHBondContact O-CB 3.37Å; R116-W119 PolarHBondContact O-N 3.47Å; W119-L123 HydrophobicContact CE3-CB 3.98Å; W119-L123 HydrophobicContact CE3-CD1 3.94Å; W119-L123 HydrophobicContact CH2-CB 4.14Å; W119-L123 HydrophobicContact CZ3-CB 3.6Å; W119-L123 HydrophobicContact CZ3-CD1 4.36Å; W119-I128 HydrophobicContact CH2-CD1 4.49Å; W119-I128 HydrophobicContact CZ3-CD1 3.97Å; W119-I128 HydrophobicContact CZ3-CG1 4.27Å
120	K	98.2	Very high	97.7	Very high	116 Å²	116	48.6 Å²	48.6	50%	0.504	24%	0.244	S	C	.	.			trans	-134.6	143.2	171.1	-57.4	-63.5	167	-148.6	0	108.6	D118 V122 L123	D118-K120 PolarHBondContact O-N 3.18Å; K120-V122 HydrophobicContact CB-CG1 3.93Å; K120-V122 PolarHBondContact O-N 3.02Å; K120-L123 HydrophobicContact CB-CG 4.46Å; K120-L123 WeakPolarHBondContact O-CB 3.34Å; K120-L123 PolarHBondContact O-N 2.77Å
121	P	98	Very high	97.6	Very high	52 Å²	52	48.5 Å²	48.5	34%	0.338	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-12.4	179.2	-26.4	34.9	0	0	0	115.8	R33 P87	R33-P121 PolarHBondContact NH1-O 2.86Å; R33-P121 PolarHBondContact NH2-O 3.29Å; P87-P121 HydrophobicContact CB-CB 4.13Å; P87-P121 HydrophobicContact CG-CB 4.07Å; P87-P121 WeakPolarHBondContact O-CA 3.49Å; P87-P121 WeakPolarHBondContact O-CB 3.48Å
122	V	98.2	Very high	97.7	Very high	121 Å²	121	48 Å²	48	73%	0.733	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-23.2	173.5	69	0	0	0	0	112.8	K120	K120-V122 HydrophobicContact CB-CG1 3.93Å; K120-V122 PolarHBondContact O-N 3.02Å
123	L	98.4	Very high	97.7	Very high	37 Å²	37	49.1 Å²	49.1	19%	0.194	25%	0.248	C	C	.	.			trans	-69.3	150	175.7	-59.6	178.7	0	0	0	110.3	R33 I114 W119 K120	R33-L123 PolarHBondContact NH2-O 2.98Å; I114-L123 HydrophobicContact CB-CD1 3.9Å; I114-L123 HydrophobicContact CG2-CD1 3.98Å; W119-L123 HydrophobicContact CE3-CB 3.98Å; W119-L123 HydrophobicContact CE3-CD1 3.94Å; W119-L123 HydrophobicContact CH2-CB 4.14Å; W119-L123 HydrophobicContact CZ3-CB 3.6Å; W119-L123 HydrophobicContact CZ3-CD1 4.36Å; K120-L123 HydrophobicContact CB-CG 4.46Å; K120-L123 WeakPolarHBondContact O-CB 3.34Å; K120-L123 PolarHBondContact O-N 2.77Å
124	T	98.2	Very high	97.8	Very high	29 Å²	29	52.7 Å²	52.7	18%	0.178	26%	0.257	C	S	.	.			trans	-122.9	176.5	-176.1	67.1	0	0	0	0	110.8	D37 N126 S127 I128	D37-T124 WeakPolarHBondContact OD1-CG2 3.31Å; T124-N126 PolarHBondContact O-N 3.16Å; T124-N126 PolarHBondContact OG1-N 2.94Å; T124-S127 PolarHBondContact N-OG 2.89Å; T124-S127 WeakPolarHBondContact O-CB 3.48Å; T124-S127 PolarHBondContact O-N 2.84Å; T124-S127 VanDerWaalsContact O-N 3.08Å; T124-I128 PolarHBondContact O-N 2.78Å
125	I	98.4	Very high	97.8	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57	-38.3	172	-58.5	-52.5	0	0	0	111.4	I34 D37 I38 L41 F60 P91 S127 I128 I129	I34-I125 HydrophobicContact CD1-CD1 3.76Å; I34-I125 HydrophobicContact CD1-CG1 3.5Å; D37-I125 HydrophobicContact CB-CB 4.4Å; D37-I125 HydrophobicContact CB-CG1 3.96Å; I38-I125 HydrophobicContact CD1-CG1 4.33Å; I38-I125 HydrophobicContact CD1-CG2 4.5Å; L41-I125 HydrophobicContact CD2-CB 4.18Å; L41-I125 HydrophobicContact CD2-CG2 3.88Å; F60-I125 HydrophobicContact CE2-CG2 4.13Å; F60-I125 HydrophobicContact CZ-CD1 4.09Å; F60-I125 HydrophobicContact CZ-CG1 4.3Å; F60-I125 HydrophobicContact CZ-CG2 3.81Å; P91-I125 HydrophobicContact CG-CD1 3.82Å; I125-S127 VanDerWaalsContact C-N 3.32Å; I125-S127 PolarHBondContact O-N 2.88Å; I125-I128 HydrophobicContact CD1-CD1 4.29Å; I125-I128 PolarHBondContact O-N 3.03Å; I125-I128 VanDerWaalsContact O-N 3.14Å; I125-I129 HydrophobicContact CG2-CD1 3.84Å; I125-I129 HydrophobicContact CG2-CG1 4.23Å; I125-I129 WeakPolarHBondContact O-CG1 3.4Å; I125-I129 PolarHBondContact O-N 3.45Å
126	N	97.8	Very high	97.9	Very high	25 Å²	25	51 Å²	51	13%	0.134	25%	0.248	C	C	.	.	H	α-helix	trans	-55.9	-46.2	173.8	-77.4	-34.8	0	0	0	111.6	E40 L41 N42 T124 I128 I129 Y130	E40-N126 PolarHBondContact O-ND2 2.85Å; L41-N126 WeakPolarHBondContact CA-OD1 3.49Å; L41-N126 WeakPolarHBondContact CD2-OD1 3.32Å; N42-N126 PolarHBondContact N-OD1 2.84Å; T124-N126 PolarHBondContact O-N 3.16Å; T124-N126 PolarHBondContact OG1-N 2.94Å; N126-I128 VanDerWaalsContact C-N 3.25Å; N126-I128 PolarHBondContact O-N 2.76Å; N126-I129 PolarHBondContact O-N 2.96Å; N126-I129 VanDerWaalsContact O-N 3.15Å; N126-Y130 VanDerWaalsContact O-CD2 3.26Å; N126-Y130 WeakPolarHBondContact O-CD2 3.37Å; N126-Y130 PolarHBondContact O-N 3.33Å
127	S	98.1	Very high	98	Very high	38 Å²	38	46.3 Å²	46.3	27%	0.266	23%	0.233	S	C	.	.	H	α-helix	trans	-56.8	-41.4	178.6	-51.6	0	0	0	0	111.8	I114 T124 I125 G131	I114-S127 VanDerWaalsContact CD1-O 3.27Å; I114-S127 WeakPolarHBondContact CD1-O 3.45Å; T124-S127 PolarHBondContact N-OG 2.89Å; T124-S127 WeakPolarHBondContact O-CB 3.48Å; T124-S127 PolarHBondContact O-N 2.84Å; T124-S127 VanDerWaalsContact O-N 3.08Å; I125-S127 VanDerWaalsContact C-N 3.32Å; I125-S127 PolarHBondContact O-N 2.88Å; S127-G131 PolarHBondContact O-N 3.21Å
128	I	98.6	Very high	98	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.7	-44.8	177.7	-57.6	168.3	0	0	0	110.8	F80 P91 V93 L112 I114 L115 W119 T124 I125 N126 Y130 G131 L132	F80-I128 HydrophobicContact CE1-CB 4.15Å; F80-I128 HydrophobicContact CE1-CD1 4.43Å; F80-I128 HydrophobicContact CE1-CG2 3.59Å; F80-I128 HydrophobicContact CZ-CG2 3.72Å; P91-I128 HydrophobicContact CB-CD1 4.42Å; P91-I128 HydrophobicContact CG-CD1 3.65Å; V93-I128 HydrophobicContact CG2-CG2 4.24Å; L112-I128 HydrophobicContact CD2-CG2 4.46Å; I114-I128 HydrophobicContact CD1-CG1 4.47Å; L115-I128 HydrophobicContact CD1-CG2 4.43Å; L115-I128 HydrophobicContact CD2-CD1 3.86Å; L115-I128 HydrophobicContact CD2-CG1 4.03Å; L115-I128 HydrophobicContact CD2-CG2 3.86Å; L115-I128 HydrophobicContact CG-CG2 4.37Å; W119-I128 HydrophobicContact CH2-CD1 4.49Å; W119-I128 HydrophobicContact CZ3-CD1 3.97Å; W119-I128 HydrophobicContact CZ3-CG1 4.27Å; T124-I128 PolarHBondContact O-N 2.78Å; I125-I128 HydrophobicContact CD1-CD1 4.29Å; I125-I128 PolarHBondContact O-N 3.03Å; I125-I128 VanDerWaalsContact O-N 3.14Å; N126-I128 VanDerWaalsContact C-N 3.25Å; N126-I128 PolarHBondContact O-N 2.76Å; I128-Y130 PolarHBondContact O-N 2.99Å; I128-G131 PolarHBondContact O-N 3.11Å; I128-L132 HydrophobicContact CG2-CD1 4.09Å; I128-L132 HydrophobicContact CG2-CG 4.28Å; I128-L132 WeakPolarHBondContact O-CG 3.31Å; I128-L132 PolarHBondContact O-N 2.91Å
129	I	98.5	Very high	98	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.3	-47.2	179	-68.3	173.4	0	0	0	110.9	L41 L43 C47 L62 I125 N126 G131 L132 Q133	L41-I129 HydrophobicContact CD2-CD1 3.93Å; L43-I129 HydrophobicContact CD2-CD1 3.49Å; L43-I129 VanDerWaalsContact CD2-CD1 3.49Å; L43-I129 HydrophobicContact CD2-CG2 4.38Å; C47-I129 HydrophobicContact CB-CG2 4.32Å; L62-I129 HydrophobicContact CD1-CD1 4.07Å; L62-I129 HydrophobicContact CD1-CG1 4.04Å; L62-I129 HydrophobicContact CD1-CG2 4.14Å; L62-I129 HydrophobicContact CD2-CB 4.47Å; L62-I129 HydrophobicContact CD2-CG1 3.96Å; L62-I129 HydrophobicContact CD2-CG2 4.36Å; I125-I129 HydrophobicContact CG2-CD1 3.84Å; I125-I129 HydrophobicContact CG2-CG1 4.23Å; I125-I129 WeakPolarHBondContact O-CG1 3.4Å; I125-I129 PolarHBondContact O-N 3.45Å; N126-I129 PolarHBondContact O-N 2.96Å; N126-I129 VanDerWaalsContact O-N 3.15Å; I129-G131 VanDerWaalsContact C-N 3.34Å; I129-G131 PolarHBondContact O-N 3.26Å; I129-L132 PolarHBondContact O-N 3.27Å; I129-Q133 PolarHBondContact O-N 3.23Å
130	Y	98	Very high	97.9	Very high	110 Å²	110	44.8 Å²	44.8	43%	0.431	23%	0.227	S	C	.	.	H	α-helix	trans	-62.9	-40.1	175.7	-82.9	-75.3	0	0	0	112.1	P44 N126 I128 Q133 Y134	P44-Y130 HydrophobicContact CG-CD1 4.31Å; P44-Y130 HydrophobicContact CG-CE1 3.78Å; N126-Y130 VanDerWaalsContact O-CD2 3.26Å; N126-Y130 WeakPolarHBondContact O-CD2 3.37Å; N126-Y130 PolarHBondContact O-N 3.33Å; I128-Y130 PolarHBondContact O-N 2.99Å; Y130-Q133 PolarHBondContact O-N 2.92Å; Y130-Y134 WeakPolarHBondContact O-CB 3.35Å; Y130-Y134 PolarHBondContact O-N 2.95Å
131	G	98.1	Very high	97.8	Very high	15 Å²	15	40.6 Å²	40.6	16%	0.155	21%	0.212	C	C	.	.	H	α-helix	trans	-61	-45.5	174.8	0	0	0	0	0	112.7	S127 I128 I129 Y134 L135	S127-G131 PolarHBondContact O-N 3.21Å; I128-G131 PolarHBondContact O-N 3.11Å; I129-G131 VanDerWaalsContact C-N 3.34Å; I129-G131 PolarHBondContact O-N 3.26Å; G131-Y134 PolarHBondContact O-N 2.91Å; G131-L135 PolarHBondContact O-N 3.11Å
132	L	98.5	Very high	97.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-64.4	-42	176.3	-69	173.3	0	0	0	112.2	L62 I64 F78 F80 V93 V110 L112 I128 I129 Y134 L135 F136	L62-L132 HydrophobicContact CD2-CD1 3.72Å; I64-L132 HydrophobicContact CD1-CB 3.78Å; F78-L132 HydrophobicContact CD1-CD1 4.4Å; F78-L132 HydrophobicContact CD1-CD2 4.31Å; F78-L132 HydrophobicContact CE1-CD2 4.1Å; F78-L132 HydrophobicContact CG-CD1 4.35Å; F80-L132 HydrophobicContact CE2-CD1 3.82Å; F80-L132 HydrophobicContact CZ-CD1 3.54Å; V93-L132 HydrophobicContact CG1-CD1 4.08Å; V93-L132 HydrophobicContact CG1-CD2 4.45Å; V110-L132 HydrophobicContact CG1-CD2 3.83Å; L112-L132 HydrophobicContact CD2-CD2 4.01Å; L112-L132 HydrophobicContact CD2-CG 4.11Å; I128-L132 HydrophobicContact CG2-CD1 4.09Å; I128-L132 HydrophobicContact CG2-CG 4.28Å; I128-L132 WeakPolarHBondContact O-CG 3.31Å; I128-L132 PolarHBondContact O-N 2.91Å; I129-L132 PolarHBondContact O-N 3.27Å; L132-Y134 VanDerWaalsContact C-N 3.31Å; L132-Y134 PolarHBondContact O-N 2.85Å; L132-L135 HydrophobicContact CD2-CD1 4.45Å; L132-L135 PolarHBondContact O-N 2.99Å; L132-F136 VanDerWaalsContact O-CD2 3.31Å; L132-F136 WeakPolarHBondContact O-CD2 3.37Å
133	Q	97.7	Very high	97.2	Very high	33 Å²	33	43.1 Å²	43.1	15%	0.154	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-44.3	174.5	-178.2	-174	-1.8	0	0	110.8	T46 I129 Y130 L135 F136 L137	T46-Q133 PolarHBondContact OG1-NE2 3.31Å; I129-Q133 PolarHBondContact O-N 3.23Å; Y130-Q133 PolarHBondContact O-N 2.92Å; Q133-L135 VanDerWaalsContact C-N 3.28Å; Q133-L135 PolarHBondContact O-N 3.05Å; Q133-F136 PolarHBondContact O-N 3.4Å; Q133-F136 VanDerWaalsContact O-N 3.11Å; Q133-L137 PolarHBondContact O-N 3.16Å
134	Y	97.7	Very high	97.1	Very high	142 Å²	142	42.9 Å²	42.9	56%	0.557	21%	0.214	S	C	*	.	H	α-helix	trans	-62.9	-33.4	-177.7	-170.4	-105.1	0	0	0	112.7	Y130 G131 L132 F136 L137 E138	Y130-Y134 WeakPolarHBondContact O-CB 3.35Å; Y130-Y134 PolarHBondContact O-N 2.95Å; G131-Y134 PolarHBondContact O-N 2.91Å; L132-Y134 VanDerWaalsContact C-N 3.31Å; L132-Y134 PolarHBondContact O-N 2.85Å; Y134-F136 PolarHBondContact O-N 3.18Å; Y134-L137 PolarHBondContact O-N 3.23Å; Y134-E138 HydrophobicContact CE1-CB 4.05Å; Y134-E138 HydrophobicContact CE2-CB 4.32Å; Y134-E138 HydrophobicContact CE2-CG 4.25Å; Y134-E138 PolarHBondContact O-N 3.35Å
135	L	97.8	Very high	97.1	Very high	13 Å²	13	44.3 Å²	44.3	7%	0.068	22%	0.221	C	C	.	.	H	α-helix	trans	-55.6	-36.3	173.8	-71	178.8	0	0	0	112.7	H101 N103 V110 L112 G131 L132 Q133 P139	H101-L135 PolarHBondContact NE2-O 2.72Å; N103-L135 HydrophobicContact CB-CD1 4.5Å; N103-L135 HydrophobicContact CB-CD2 4.21Å; V110-L135 HydrophobicContact CG1-CD1 3.86Å; L112-L135 HydrophobicContact CB-CD1 4.3Å; L112-L135 HydrophobicContact CD1-CD1 4.33Å; L112-L135 HydrophobicContact CD1-CD2 4.5Å; L112-L135 HydrophobicContact CD1-CG 4.33Å; G131-L135 PolarHBondContact O-N 3.11Å; L132-L135 HydrophobicContact CD2-CD1 4.45Å; L132-L135 PolarHBondContact O-N 2.99Å; Q133-L135 VanDerWaalsContact C-N 3.28Å; Q133-L135 PolarHBondContact O-N 3.05Å; L135-P139 WeakPolarHBondContact O-CA 3.37Å; L135-P139 WeakPolarHBondContact O-CG 3.42Å
136	F	98.4	Very high	97.1	Very high	1 Å²	1	45.1 Å²	45.1	0%	0.004	23%	0.225	C	C	.	.	H	α-helix	trans	-77.7	-19.6	177.3	-68.1	-74.5	0	0	0	113.9	I64 P66 Y71 F76 F78 I104 L132 Q133 Y134	I64-F136 HydrophobicContact CB-CE2 4.48Å; I64-F136 HydrophobicContact CD1-CD2 4.42Å; I64-F136 HydrophobicContact CD1-CE2 4.17Å; I64-F136 HydrophobicContact CG2-CD2 4.22Å; I64-F136 HydrophobicContact CG2-CE2 4.47Å; P66-F136 HydrophobicContact CG-CB 3.86Å; P66-F136 HydrophobicContact CG-CD1 4.45Å; P66-F136 HydrophobicContact CG-CD2 4.49Å; P66-F136 HydrophobicContact CG-CG 4.03Å; Y71-F136 HydrophobicContact CD1-CD1 4.07Å; Y71-F136 HydrophobicContact CD1-CE1 4.38Å; Y71-F136 HydrophobicContact CD2-CB 4.23Å; Y71-F136 AromaticContact CD2-CD1 3.81Å; Y71-F136 HydrophobicContact CD2-CD1 3.81Å; Y71-F136 WeakPolarHBondContact CD2-O 3.26Å; Y71-F136 HydrophobicContact CE2-CD1 4.35Å; Y71-F136 AromaticContact CG-CD1 3.64Å; Y71-F136 HydrophobicContact CG-CD1 3.64Å; Y71-F136 HydrophobicContact CG-CE1 4.38Å; F76-F136 HydrophobicContact CB-CE1 4.33Å; F76-F136 HydrophobicContact CB-CE2 4.27Å; F76-F136 HydrophobicContact CB-CZ 3.65Å; F76-F136 AromaticContact CD1-CE1 3.79Å; F76-F136 HydrophobicContact CD1-CE1 3.79Å; F76-F136 AromaticContact CD1-CZ 3.93Å; F76-F136 HydrophobicContact CD1-CZ 3.93Å; F76-F136 AromaticContact CD2-CD1 4Å; F76-F136 HydrophobicContact CD2-CD1 4Å; F76-F136 AromaticContact CD2-CE1 3.45Å; F76-F136 HydrophobicContact CD2-CE1 3.45Å; F76-F136 VanDerWaalsContact CD2-CE1 3.45Å; F76-F136 HydrophobicContact CD2-CE2 4.13Å; F76-F136 AromaticContact CD2-CZ 3.52Å; F76-F136 HydrophobicContact CD2-CZ 3.52Å; F76-F136 AromaticContact CE1-CE1 3.94Å; F76-F136 HydrophobicContact CE1-CE1 3.94Å; F76-F136 AromaticContact CE2-CD1 3.86Å; F76-F136 HydrophobicContact CE2-CD1 3.86Å; F76-F136 AromaticContact CE2-CE1 3.61Å; F76-F136 HydrophobicContact CE2-CE1 3.61Å; F76-F136 HydrophobicContact CE2-CZ 4.17Å; F76-F136 AromaticContact CG-CE1 3.55Å; F76-F136 HydrophobicContact CG-CE1 3.55Å; F76-F136 HydrophobicContact CG-CE2 4.26Å; F76-F136 AromaticContact CG-CZ 3.38Å; F76-F136 HydrophobicContact CG-CZ 3.38Å; F76-F136 HydrophobicContact CZ-CD1 4.27Å; F76-F136 AromaticContact CZ-CE1 3.85Å; F76-F136 HydrophobicContact CZ-CE1 3.85Å; F78-F136 AromaticContact CE2-CE2 3.7Å; F78-F136 HydrophobicContact CE2-CE2 3.7Å; F78-F136 AromaticContact CE2-CZ 3.93Å; F78-F136 HydrophobicContact CE2-CZ 3.93Å; F78-F136 AromaticContact CZ-CE2 3.58Å; F78-F136 HydrophobicContact CZ-CE2 3.58Å; F78-F136 AromaticContact CZ-CZ 3.63Å; F78-F136 HydrophobicContact CZ-CZ 3.63Å; I104-F136 HydrophobicContact CD1-CZ 4.42Å; L132-F136 VanDerWaalsContact O-CD2 3.31Å; L132-F136 WeakPolarHBondContact O-CD2 3.37Å; Q133-F136 PolarHBondContact O-N 3.4Å; Q133-F136 VanDerWaalsContact O-N 3.11Å; Y134-F136 PolarHBondContact O-N 3.18Å
137	L	97.2	Very high	97.1	Very high	34 Å²	34	51.2 Å²	51.2	18%	0.178	25%	0.25	C	S	.	.	H	α-helix	trans	-84.7	-51.7	177	-60.6	-179.9	0	0	0	110.4	E68 Q133 Y134	E68-L137 HydrophobicContact CG-CD2 3.5Å; E68-L137 VanDerWaalsContact CG-CD2 3.5Å; E68-L137 WeakPolarHBondContact OE1-CD2 3.28Å; Q133-L137 PolarHBondContact O-N 3.16Å; Y134-L137 PolarHBondContact O-N 3.23Å
138	E	96.7	Very high	97	Very high	95 Å²	95	55.6 Å²	55.6	44%	0.444	27%	0.266	S	S	.	.	S	Bend	trans	-130.8	82.8	-177.9	-66.2	-60.4	150.3	0	0	109.9	Y134 N140	Y134-E138 HydrophobicContact CE1-CB 4.05Å; Y134-E138 HydrophobicContact CE2-CB 4.32Å; Y134-E138 HydrophobicContact CE2-CG 4.25Å; Y134-E138 PolarHBondContact O-N 3.35Å; E138-N140 PolarHBondContact O-N 3.29Å
139	P	97.5	Very high	97	Very high	10 Å²	10	55.6 Å²	55.6	7%	0.065	27%	0.266	C	S	.	.			trans	-59.2	139.2	176.6	-21.4	31.6	0	0	0	111.4	F70 Y71 P102 L135 P141 L153	F70-P139 HydrophobicContact CD2-CG 4.45Å; Y71-P139 HydrophobicContact CE2-CG 3.92Å; P102-P139 HydrophobicContact CG-CB 3.93Å; L135-P139 WeakPolarHBondContact O-CA 3.37Å; L135-P139 WeakPolarHBondContact O-CG 3.42Å; P139-P141 WeakPolarHBondContact O-CD 3.4Å; P139-L153 HydrophobicContact CB-CD2 3.86Å
140	N	95.4	Very high	97	Very high	69 Å²	69	55.8 Å²	55.8	37%	0.369	27%	0.268	S	S	.	.			trans	-98.4	115.9	-176.5	179.9	7.4	0	0	0	111.1	N103 E138 E142	N103-N140 PolarHBondContact ND2-O 2.93Å; N103-N140 PolarHBondContact OD1-N 3.47Å; N103-N140 PolarHBondContact OD1-O 3.41Å; E138-N140 PolarHBondContact O-N 3.29Å; N140-E142 WeakPolarHBondContact OD1-CB 3.43Å; N140-E142 WeakPolarHBondContact OD1-CG 3.32Å; N140-E142 PolarHBondContact OD1-N 3.45Å
141	P	96	Very high	97	Very high	29 Å²	29	56.2 Å²	56.2	19%	0.188	27%	0.274	C	S	.	.			trans	-85.8	-4.3	179.3	37.7	-38.1	0	0	0	114.4	P139 P144 A150 L153 Q154	P139-P141 WeakPolarHBondContact O-CD 3.4Å; P141-P144 WeakPolarHBondContact O-CD 3.29Å; P141-A150 HydrophobicContact CB-CB 4.08Å; P141-L153 HydrophobicContact CB-CD2 4.4Å; P141-Q154 HydrophobicContact CB-CG 3.63Å; P141-Q154 HydrophobicContact CG-CG 3.78Å
142	E	94.4	Very high	97	Very high	151 Å²	151	57 Å²	57	71%	0.706	28%	0.276	S	S	*	.	S	Bend	trans	-76.2	-33.7	-173.2	-60.7	-59.8	129.3	0	0	114.2	N140	N140-E142 WeakPolarHBondContact OD1-CB 3.43Å; N140-E142 WeakPolarHBondContact OD1-CG 3.32Å; N140-E142 PolarHBondContact OD1-N 3.45Å
143	D	90.5	Very high	97	Very high	74 Å²	74	57.9 Å²	57.9	40%	0.396	28%	0.281	S	S	.	.	S	Bend	trans	-127.9	72	173.7	-172.3	28.2	0	0	0	111	N103 C111 R116	N103-D143 PolarHBondContact ND2-O 3.44Å; C111-D143 PolarHBondContact SG-OD2 2.97Å; R116-D143 IonicContact NH1-OD2 3.43Å
144	P	96.2	Very high	97	Very high	32 Å²	32	61.6 Å²	61.6	21%	0.208	30%	0.298	C	S	.	.			trans	-86.7	138.4	-171.7	35.2	-34.4	0	0	0	112.3	P102 P141 K147 A150	P102-P144 CarbonylContact O-C 3.53Å; P102-P144 WeakPolarHBondContact O-CA 3.4Å; P141-P144 WeakPolarHBondContact O-CD 3.29Å; P144-K147 HydrophobicContact CG-CG 4.42Å; P144-A150 HydrophobicContact CB-CB 3.4Å; P144-A150 HydrophobicContact CG-CB 3.73Å
145	L	97.9	Very high	97	Very high	59 Å²	59	60.4 Å²	60.4	31%	0.309	30%	0.301	S	S	.	.	S	Bend	trans	-82.4	-31.4	164.8	-62.8	-179.1	0	0	0	111.2	P102 D105 N109 C111	P102-L145 PolarHBondContact O-N 3.36Å; D105-L145 HydrophobicContact CB-CB 4.06Å; N109-L145 HydrophobicContact CB-CD1 3.96Å; N109-L145 VanDerWaalsContact O-CD1 3.29Å; N109-L145 WeakPolarHBondContact O-CD1 3.31Å; C111-L145 HydrophobicContact CB-CD1 3.92Å; C111-L145 HydrophobicContact CB-CD2 4.33Å; C111-L145 HydrophobicContact CB-CG 3.79Å
146	N	97.8	Very high	97	Very high	18 Å²	18	63.3 Å²	63.3	10%	0.096	32%	0.317	C	S	.	.	S	Bend	trans	-109.3	96.5	174.5	-174.8	-30.8	0	0	0	109.3	H101 P102 E148 A149 A150	H101-N146 VanDerWaalsContact O-CB 3.29Å; H101-N146 WeakPolarHBondContact O-CB 3.36Å; P102-N146 PolarHBondContact O-N 3.5Å; N146-E148 PolarHBondContact OD1-N 3.35Å; N146-E148 PolarHBondContact OD1-OE2 3.47Å; N146-A149 HydrophobicContact CB-CB 3.98Å; N146-A149 VanDerWaalsContact CG-CB 3.45Å; N146-A149 PolarHBondContact O-N 2.93Å; N146-A149 WeakPolarHBondContact OD1-CB 3.31Å; N146-A149 PolarHBondContact OD1-N 3.02Å; N146-A150 PolarHBondContact O-N 3.39Å; N146-A150 VanDerWaalsContact O-N 3.11Å
147	K	97.6	Very high	97	Very high	152 Å²	152	70 Å²	70	66%	0.661	34%	0.342	S	S	*	.	H	α-helix	trans	-66.1	-39.3	-174	-69	-179.5	-179.8	-179.9	0	111.9	P144 A149 A150 E151	P144-K147 HydrophobicContact CG-CG 4.42Å; K147-A149 VanDerWaalsContact C-N 3.35Å; K147-A149 PolarHBondContact O-N 3.37Å; K147-A150 PolarHBondContact O-N 3.49Å; K147-E151 WeakPolarHBondContact O-CB 3.31Å; K147-E151 PolarHBondContact O-N 2.76Å
148	E	97.1	Very high	97	Very high	130 Å²	130	76.6 Å²	76.6	61%	0.607	37%	0.365	S	S	*	.	H	α-helix	trans	-62.6	-43.3	177.7	-63.1	81.9	178.1	0	0	111	N146 A150 E151 V152	N146-E148 PolarHBondContact OD1-N 3.35Å; N146-E148 PolarHBondContact OD1-OE2 3.47Å; E148-A150 VanDerWaalsContact C-N 3.35Å; E148-A150 PolarHBondContact O-N 3.4Å; E148-E151 PolarHBondContact O-N 3.13Å; E148-V152 VanDerWaalsContact O-CG2 3.26Å; E148-V152 WeakPolarHBondContact O-CG2 3.49Å; E148-V152 PolarHBondContact O-N 3.32Å
149	A	98.4	Very high	97.1	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-63.2	-41.4	176.4	0	0	0	0	0	112.2	Y100 P102 N146 K147 L153 F160	Y100-A149 HydrophobicContact CD1-CB 4.5Å; Y100-A149 HydrophobicContact CD2-CB 4.33Å; Y100-A149 HydrophobicContact CE1-CB 4.02Å; Y100-A149 HydrophobicContact CE2-CB 3.83Å; Y100-A149 WeakPolarHBondContact OH-CA 3.35Å; P102-A149 HydrophobicContact CG-CB 4.15Å; N146-A149 HydrophobicContact CB-CB 3.98Å; N146-A149 VanDerWaalsContact CG-CB 3.45Å; N146-A149 PolarHBondContact O-N 2.93Å; N146-A149 WeakPolarHBondContact OD1-CB 3.31Å; N146-A149 PolarHBondContact OD1-N 3.02Å; K147-A149 VanDerWaalsContact C-N 3.35Å; K147-A149 PolarHBondContact O-N 3.37Å; A149-L153 WeakPolarHBondContact O-CB 3.31Å; A149-L153 PolarHBondContact O-N 3.33Å; A149-F160 HydrophobicContact CB-CE2 4.35Å; A149-F160 WeakPolarHBondContact O-CD2 3.3Å
150	A	98.3	Very high	97.2	Very high	4 Å²	4	74.7 Å²	74.7	3%	0.033	36%	0.357	C	S	.	.	H	α-helix	trans	-66.1	-44.4	177.7	0	0	0	0	0	112.6	P102 P141 P144 N146 K147 E148 V152 L153 Q154	P102-A150 HydrophobicContact CB-CB 4.14Å; P141-A150 HydrophobicContact CB-CB 4.08Å; P144-A150 HydrophobicContact CB-CB 3.4Å; P144-A150 HydrophobicContact CG-CB 3.73Å; N146-A150 PolarHBondContact O-N 3.39Å; N146-A150 VanDerWaalsContact O-N 3.11Å; K147-A150 PolarHBondContact O-N 3.49Å; E148-A150 VanDerWaalsContact C-N 3.35Å; E148-A150 PolarHBondContact O-N 3.4Å; A150-V152 PolarHBondContact O-N 3.49Å; A150-L153 WeakPolarHBondContact O-CB 3.38Å; A150-L153 PolarHBondContact O-N 3.11Å; A150-Q154 PolarHBondContact O-N 3.48Å
151	E	98.2	Very high	97.3	Very high	119 Å²	119	76 Å²	76	56%	0.556	36%	0.36	S	S	*	.	H	α-helix	trans	-61.1	-45.6	177.8	-175.1	-178.9	174.8	0	0	111.2	K147 E148 L153 Q154 N155	K147-E151 WeakPolarHBondContact O-CB 3.31Å; K147-E151 PolarHBondContact O-N 2.76Å; E148-E151 PolarHBondContact O-N 3.13Å; E151-L153 VanDerWaalsContact C-N 3.32Å; E151-L153 PolarHBondContact O-N 3.3Å; E151-Q154 PolarHBondContact O-N 2.98Å; E151-N155 VanDerWaalsContact CG-ND2 3.27Å; E151-N155 WeakPolarHBondContact CG-ND2 3.25Å; E151-N155 VanDerWaalsContact O-CB 3.3Å; E151-N155 WeakPolarHBondContact O-CB 3.39Å; E151-N155 PolarHBondContact O-N 2.98Å; E151-N155 PolarHBondContact O-ND2 2.89Å
152	V	98.3	Very high	97.4	Very high	31 Å²	31	79 Å²	79	19%	0.188	37%	0.372	C	S	.	.	H	α-helix	trans	-64.8	-37.9	177.5	179.4	0	0	0	0	111.1	E148 A150 N156 L159 F160	E148-V152 VanDerWaalsContact O-CG2 3.26Å; E148-V152 WeakPolarHBondContact O-CG2 3.49Å; E148-V152 PolarHBondContact O-N 3.32Å; A150-V152 PolarHBondContact O-N 3.49Å; V152-N156 CarbonylContact O-C 3.14Å; V152-N156 WeakPolarHBondContact O-CA 3.44Å; V152-N156 PolarHBondContact O-N 3.33Å; V152-N156 VanDerWaalsContact O-O 3.1Å; V152-L159 HydrophobicContact CG1-CB 4.03Å; V152-L159 HydrophobicContact CG1-CD2 4.05Å; V152-L159 HydrophobicContact CG1-CG 3.84Å; V152-F160 HydrophobicContact CG1-CB 3.96Å
153	L	98.4	Very high	97.6	Very high	20 Å²	20	72.6 Å²	72.6	11%	0.105	34%	0.342	C	S	.	.	H	α-helix	trans	-61.7	-45.6	176.4	177.1	59.2	0	0	0	112	F70 P102 P139 P141 A149 A150 E151 F160	F70-L153 HydrophobicContact CE2-CD1 4.13Å; F70-L153 HydrophobicContact CZ-CD1 4.38Å; P102-L153 HydrophobicContact CG-CD2 3.97Å; P139-L153 HydrophobicContact CB-CD2 3.86Å; P141-L153 HydrophobicContact CB-CD2 4.4Å; A149-L153 WeakPolarHBondContact O-CB 3.31Å; A149-L153 PolarHBondContact O-N 3.33Å; A150-L153 WeakPolarHBondContact O-CB 3.38Å; A150-L153 PolarHBondContact O-N 3.11Å; E151-L153 VanDerWaalsContact C-N 3.32Å; E151-L153 PolarHBondContact O-N 3.3Å; L153-F160 HydrophobicContact CB-CD2 3.76Å; L153-F160 HydrophobicContact CB-CE2 4.04Å; L153-F160 HydrophobicContact CB-CG 4.06Å; L153-F160 HydrophobicContact CD1-CB 4.5Å; L153-F160 HydrophobicContact CD1-CD1 3.77Å; L153-F160 HydrophobicContact CD1-CD2 4.45Å; L153-F160 HydrophobicContact CD1-CE1 4.05Å; L153-F160 HydrophobicContact CD1-CG 3.98Å
154	Q	97.8	Very high	98	Very high	111 Å²	111	69 Å²	69	52%	0.519	32%	0.323	S	S	.	.	H	α-helix	trans	-68.6	-43.8	179.2	-70.6	-178.3	-5.1	0	0	112.1	P141 A150 E151	P141-Q154 HydrophobicContact CB-CG 3.63Å; P141-Q154 HydrophobicContact CG-CG 3.78Å; A150-Q154 PolarHBondContact O-N 3.48Å; E151-Q154 PolarHBondContact O-N 2.98Å
155	N	97.9	Very high	98.1	Very high	117 Å²	117	70 Å²	70	63%	0.626	33%	0.325	S	S	*	.	H	α-helix	trans	-89.4	-31.2	-170.2	-67.3	-31.2	0	0	0	113.9	E151	E151-N155 VanDerWaalsContact CG-ND2 3.27Å; E151-N155 WeakPolarHBondContact CG-ND2 3.25Å; E151-N155 VanDerWaalsContact O-CB 3.3Å; E151-N155 WeakPolarHBondContact O-CB 3.39Å; E151-N155 PolarHBondContact O-N 2.98Å; E151-N155 PolarHBondContact O-ND2 2.89Å
156	N	97.9	Very high	98.2	Very high	74 Å²	74	74.3 Å²	74.3	40%	0.396	34%	0.337	S	S	.	.			trans	-152.2	81.4	-175.5	-168.4	-22.8	0	0	0	112.3	V152 R158 L159 F160	V152-N156 CarbonylContact O-C 3.14Å; V152-N156 WeakPolarHBondContact O-CA 3.44Å; V152-N156 PolarHBondContact O-N 3.33Å; V152-N156 VanDerWaalsContact O-O 3.1Å; N156-R158 PolarHBondContact O-N 2.89Å; N156-R158 VanDerWaalsContact O-N 3.11Å; N156-R158 PolarHBondContact OD1-N 3.39Å; N156-L159 HydrophobicContact CB-CB 3.89Å; N156-L159 PolarHBondContact O-N 3.41Å; N156-L159 WeakPolarHBondContact OD1-CB 3.39Å; N156-L159 PolarHBondContact OD1-N 2.9Å; N156-F160 PolarHBondContact O-N 2.98Å
157	R	97.4	Very high	98.2	Very high	141 Å²	141	73.6 Å²	73.6	53%	0.532	33%	0.334	S	S	.	.	H	α-helix	trans	-51.2	-37	179.6	-167.9	176.8	178.3	102.2	-1	113.9	F70 F160 E161	F70-R157 HydrophobicContact CE1-CG 4.19Å; F70-R157 HydrophobicContact CZ-CG 3.73Å; R157-F160 WeakPolarHBondContact O-CB 3.41Å; R157-F160 PolarHBondContact O-N 3.01Å; R157-E161 PolarHBondContact O-N 2.95Å
158	R	98.2	Very high	98.3	Very high	173 Å²	173	66.4 Å²	66.4	65%	0.653	30%	0.302	S	S	*	.	H	α-helix	trans	-70.6	-40.6	178.6	-167.2	-178.9	83.1	137.4	0.9	112	N156 F160 E161 Q162	N156-R158 PolarHBondContact O-N 2.89Å; N156-R158 VanDerWaalsContact O-N 3.11Å; N156-R158 PolarHBondContact OD1-N 3.39Å; R158-F160 VanDerWaalsContact C-N 3.31Å; R158-E161 PolarHBondContact O-N 3.33Å; R158-Q162 WeakPolarHBondContact O-CG 3.39Å; R158-Q162 PolarHBondContact O-N 3.3Å
159	L	98.5	Very high	98.3	Very high	65 Å²	65	67.4 Å²	67.4	34%	0.34	30%	0.301	S	S	.	.	H	α-helix	trans	-66.3	-38	175	-179.8	60.2	0	0	0	110.9	V152 N156 Q162 N163	V152-L159 HydrophobicContact CG1-CB 4.03Å; V152-L159 HydrophobicContact CG1-CD2 4.05Å; V152-L159 HydrophobicContact CG1-CG 3.84Å; N156-L159 HydrophobicContact CB-CB 3.89Å; N156-L159 PolarHBondContact O-N 3.41Å; N156-L159 WeakPolarHBondContact OD1-CB 3.39Å; N156-L159 PolarHBondContact OD1-N 2.9Å; L159-Q162 PolarHBondContact O-N 3.1Å; L159-N163 WeakPolarHBondContact O-CB 3.41Å; L159-N163 VanDerWaalsContact O-CG 3.28Å; L159-N163 PolarHBondContact O-N 3.48Å
160	F	98.7	Very high	98.3	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57	-51.2	173.2	-177.5	-98.3	0	0	0	111.2	F70 Y71 Y100 P102 A149 V152 L153 N156 R157 R158 Q162 N163 V164	F70-F160 HydrophobicContact CB-CE1 4.27Å; F70-F160 HydrophobicContact CD1-CD1 4.16Å; F70-F160 HydrophobicContact CD1-CE1 4.46Å; F70-F160 AromaticContact CD2-CD1 3.93Å; F70-F160 HydrophobicContact CD2-CD1 3.93Å; F70-F160 AromaticContact CD2-CE1 3.58Å; F70-F160 HydrophobicContact CD2-CE1 3.58Å; F70-F160 HydrophobicContact CE1-CD1 4.18Å; F70-F160 AromaticContact CE2-CD1 3.94Å; F70-F160 HydrophobicContact CE2-CD1 3.94Å; F70-F160 AromaticContact CE2-CE1 3.92Å; F70-F160 HydrophobicContact CE2-CE1 3.92Å; F70-F160 HydrophobicContact CG-CD1 4.02Å; F70-F160 AromaticContact CG-CE1 3.87Å; F70-F160 HydrophobicContact CG-CE1 3.87Å; F70-F160 HydrophobicContact CZ-CD1 4.05Å; F70-F160 HydrophobicContact CZ-CE1 4.48Å; Y71-F160 WeakPolarHBondContact OH-CZ 3.49Å; Y100-F160 HydrophobicContact CD1-CE2 4.33Å; Y100-F160 AromaticContact CE1-CD2 3.88Å; Y100-F160 HydrophobicContact CE1-CD2 3.88Å; Y100-F160 AromaticContact CE1-CE2 3.8Å; Y100-F160 HydrophobicContact CE1-CE2 3.8Å; P102-F160 HydrophobicContact CG-CE2 3.99Å; P102-F160 HydrophobicContact CG-CZ 4.11Å; A149-F160 HydrophobicContact CB-CE2 4.35Å; A149-F160 WeakPolarHBondContact O-CD2 3.3Å; V152-F160 HydrophobicContact CG1-CB 3.96Å; L153-F160 HydrophobicContact CB-CD2 3.76Å; L153-F160 HydrophobicContact CB-CE2 4.04Å; L153-F160 HydrophobicContact CB-CG 4.06Å; L153-F160 HydrophobicContact CD1-CB 4.5Å; L153-F160 HydrophobicContact CD1-CD1 3.77Å; L153-F160 HydrophobicContact CD1-CD2 4.45Å; L153-F160 HydrophobicContact CD1-CE1 4.05Å; L153-F160 HydrophobicContact CD1-CG 3.98Å; N156-F160 PolarHBondContact O-N 2.98Å; R157-F160 WeakPolarHBondContact O-CB 3.41Å; R157-F160 PolarHBondContact O-N 3.01Å; R158-F160 VanDerWaalsContact C-N 3.31Å; F160-Q162 VanDerWaalsContact C-N 3.32Å; F160-Q162 PolarHBondContact O-N 3.06Å; F160-N163 PolarHBondContact O-N 2.89Å; F160-N163 VanDerWaalsContact O-N 3.14Å; F160-V164 HydrophobicContact CD1-CG2 4.06Å; F160-V164 HydrophobicContact CE1-CG2 3.67Å; F160-V164 HydrophobicContact CE2-CG2 4.34Å; F160-V164 HydrophobicContact CZ-CG2 3.82Å; F160-V164 WeakPolarHBondContact O-CG2 3.45Å; F160-V164 PolarHBondContact O-N 3.27Å
161	E	98.5	Very high	98.3	Very high	95 Å²	95	68.8 Å²	68.8	44%	0.444	32%	0.315	S	S	.	.	H	α-helix	trans	-55.6	-44.9	175.6	-177.1	176.5	-167.7	0	0	112.3	F70 R157 R158 N163 V164 Q165	F70-E161 HydrophobicContact CD1-CB 3.74Å; F70-E161 HydrophobicContact CD1-CG 3.95Å; F70-E161 HydrophobicContact CE1-CB 3.84Å; F70-E161 HydrophobicContact CE1-CG 4.35Å; R157-E161 PolarHBondContact O-N 2.95Å; R158-E161 PolarHBondContact O-N 3.33Å; E161-N163 PolarHBondContact O-N 3.01Å; E161-V164 PolarHBondContact O-N 2.94Å; E161-Q165 WeakPolarHBondContact O-CB 3.07Å; E161-Q165 VanDerWaalsContact O-CG 3.3Å; E161-Q165 WeakPolarHBondContact O-CG 3.26Å; E161-Q165 PolarHBondContact O-N 2.92Å
162	Q	98.5	Very high	98.3	Very high	92 Å²	92	69.9 Å²	69.9	43%	0.43	32%	0.315	S	S	.	.	H	α-helix	trans	-62.9	-40.8	177.3	-72.4	176.1	-11.1	0	0	112.6	R158 L159 F160 Q165 R166	R158-Q162 WeakPolarHBondContact O-CG 3.39Å; R158-Q162 PolarHBondContact O-N 3.3Å; L159-Q162 PolarHBondContact O-N 3.1Å; F160-Q162 VanDerWaalsContact C-N 3.32Å; F160-Q162 PolarHBondContact O-N 3.06Å; Q162-Q165 PolarHBondContact O-N 3.47Å; Q162-R166 VanDerWaalsContact O-CB 3.31Å; Q162-R166 WeakPolarHBondContact O-CB 3.43Å; Q162-R166 PolarHBondContact O-N 3.49Å
163	N	98.7	Very high	98.3	Very high	17 Å²	17	69.6 Å²	69.6	9%	0.091	31%	0.312	C	S	.	.	H	α-helix	trans	-66.9	-42.2	177.5	-73.9	-9.4	0	0	0	111.6	Y100 L159 F160 E161 R166 S167 I173	Y100-N163 HydrophobicContact CD1-CB 4.16Å; Y100-N163 HydrophobicContact CE1-CB 3.68Å; L159-N163 WeakPolarHBondContact O-CB 3.41Å; L159-N163 VanDerWaalsContact O-CG 3.28Å; L159-N163 PolarHBondContact O-N 3.48Å; F160-N163 PolarHBondContact O-N 2.89Å; F160-N163 VanDerWaalsContact O-N 3.14Å; E161-N163 PolarHBondContact O-N 3.01Å; N163-R166 PolarHBondContact O-N 3.23Å; N163-S167 WeakPolarHBondContact O-CB 3.48Å; N163-S167 PolarHBondContact O-N 2.89Å; N163-S167 PolarHBondContact O-OG 3.05Å; N163-I173 HydrophobicContact CB-CD1 3.68Å; N163-I173 HydrophobicContact CB-CG1 4.49Å; N163-I173 WeakPolarHBondContact O-CD1 3.43Å
164	V	98.7	Very high	98.2	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-59.5	-51.2	173.4	173	0	0	0	0	110.1	F70 Y71 Y100 F160 E161 R166 S167 M168	F70-V164 HydrophobicContact CB-CB 4.47Å; F70-V164 HydrophobicContact CB-CG1 4.17Å; F70-V164 HydrophobicContact CB-CG2 4.34Å; F70-V164 VanDerWaalsContact O-CG1 3.25Å; F70-V164 WeakPolarHBondContact O-CG1 3.17Å; Y71-V164 HydrophobicContact CD1-CG1 3.58Å; Y71-V164 HydrophobicContact CE1-CB 4.49Å; Y71-V164 HydrophobicContact CE1-CG1 3.67Å; Y71-V164 HydrophobicContact CE1-CG2 3.97Å; Y71-V164 HydrophobicContact CG-CG1 4.11Å; Y100-V164 HydrophobicContact CD1-CG2 3.97Å; F160-V164 HydrophobicContact CD1-CG2 4.06Å; F160-V164 HydrophobicContact CE1-CG2 3.67Å; F160-V164 HydrophobicContact CE2-CG2 4.34Å; F160-V164 HydrophobicContact CZ-CG2 3.82Å; F160-V164 WeakPolarHBondContact O-CG2 3.45Å; F160-V164 PolarHBondContact O-N 3.27Å; E161-V164 PolarHBondContact O-N 2.94Å; V164-R166 VanDerWaalsContact C-N 3.32Å; V164-R166 PolarHBondContact O-N 3.05Å; V164-S167 WeakPolarHBondContact CA-OG 3.4Å; V164-S167 PolarHBondContact O-N 3.47Å; V164-S167 PolarHBondContact O-OG 3.43Å; V164-M168 HydrophobicContact CG1-CE 4.26Å; V164-M168 HydrophobicContact CG1-CG 4.26Å; V164-M168 HydrophobicContact CG1-SD 4.15Å; V164-M168 VanDerWaalsContact O-CG 3.31Å; V164-M168 WeakPolarHBondContact O-CG 3.46Å; V164-M168 PolarHBondContact O-N 3.06Å
165	Q	98.5	Very high	98.1	Very high	51 Å²	51	72.5 Å²	72.5	24%	0.238	36%	0.358	C	S	.	.	H	α-helix	trans	-63	-36.7	-179.6	-69.7	-64	-44.4	0	0	113.1	F70 E161 Q162 M168 R169	F70-Q165 PolarHBondContact O-NE2 3.48Å; E161-Q165 WeakPolarHBondContact O-CB 3.07Å; E161-Q165 VanDerWaalsContact O-CG 3.3Å; E161-Q165 WeakPolarHBondContact O-CG 3.26Å; E161-Q165 PolarHBondContact O-N 2.92Å; Q162-Q165 PolarHBondContact O-N 3.47Å; Q165-M168 VanDerWaalsContact NE2-CE 3.33Å; Q165-R169 WeakPolarHBondContact O-CD 3.48Å; Q165-R169 VanDerWaalsContact O-CG 3.28Å; Q165-R169 WeakPolarHBondContact O-CG 3.32Å; Q165-R169 PolarHBondContact O-N 2.95Å
166	R	98.5	Very high	98.1	Very high	150 Å²	150	69.2 Å²	69.2	57%	0.566	34%	0.343	S	S	*	.	H	α-helix	trans	-68.2	-48.6	175.9	179.2	179.3	-69	171.6	-0.3	111.8	Q162 N163 V164 R169 Y172 I173	Q162-R166 VanDerWaalsContact O-CB 3.31Å; Q162-R166 WeakPolarHBondContact O-CB 3.43Å; Q162-R166 PolarHBondContact O-N 3.49Å; N163-R166 PolarHBondContact O-N 3.23Å; V164-R166 VanDerWaalsContact C-N 3.32Å; V164-R166 PolarHBondContact O-N 3.05Å; R166-R169 PolarHBondContact O-N 3.14Å; R166-Y172 VanDerWaalsContact CD-O 3.31Å; R166-Y172 WeakPolarHBondContact CD-O 3.47Å; R166-I173 HydrophobicContact CB-CD1 4.32Å; R166-I173 HydrophobicContact CG-CD1 4.38Å
167	S	98.6	Very high	98.1	Very high	3 Å²	3	71.1 Å²	71.1	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-63.6	-45.4	-179.1	55.3	0	0	0	0	111.5	Y100 N163 V164 R169 G170	Y100-S167 WeakPolarHBondContact CB-OG 3.24Å; N163-S167 WeakPolarHBondContact O-CB 3.48Å; N163-S167 PolarHBondContact O-N 2.89Å; N163-S167 PolarHBondContact O-OG 3.05Å; V164-S167 WeakPolarHBondContact CA-OG 3.4Å; V164-S167 PolarHBondContact O-N 3.47Å; V164-S167 PolarHBondContact O-OG 3.43Å; S167-R169 PolarHBondContact O-N 3.35Å; S167-R169 VanDerWaalsContact O-N 3.16Å; S167-G170 PolarHBondContact O-N 3.26Å
168	M	98.7	Very high	98.2	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-61.2	-28.2	178.3	-67.3	-165.1	-48.5	0	0	113.5	Y71 F76 V164 Q165 G170 R180 C181 L182	Y71-M168 HydrophobicContact CD1-SD 4.27Å; F76-M168 HydrophobicContact CZ-SD 4.04Å; V164-M168 HydrophobicContact CG1-CE 4.26Å; V164-M168 HydrophobicContact CG1-CG 4.26Å; V164-M168 HydrophobicContact CG1-SD 4.15Å; V164-M168 VanDerWaalsContact O-CG 3.31Å; V164-M168 WeakPolarHBondContact O-CG 3.46Å; V164-M168 PolarHBondContact O-N 3.06Å; Q165-M168 VanDerWaalsContact NE2-CE 3.33Å; M168-G170 VanDerWaalsContact C-N 3.25Å; M168-G170 PolarHBondContact O-N 3.45Å; M168-R180 WeakPolarHBondContact O-CA 3.41Å; M168-C181 PolarHBondContact O-N 3Å; M168-L182 HydrophobicContact CB-CD2 3.64Å; M168-L182 HydrophobicContact CB-CG 4.42Å; M168-L182 HydrophobicContact CE-CD2 3.82Å; M168-L182 HydrophobicContact SD-CD2 4.3Å
169	R	98.5	Very high	98.2	Very high	152 Å²	152	62.7 Å²	62.7	57%	0.574	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-12.2	175.9	-73	171.2	-164.2	173.7	8.5	113.5	Q165 R166 S167 L182	Q165-R169 WeakPolarHBondContact O-CD 3.48Å; Q165-R169 VanDerWaalsContact O-CG 3.28Å; Q165-R169 WeakPolarHBondContact O-CG 3.32Å; Q165-R169 PolarHBondContact O-N 2.95Å; R166-R169 PolarHBondContact O-N 3.14Å; S167-R169 PolarHBondContact O-N 3.35Å; S167-R169 VanDerWaalsContact O-N 3.16Å; R169-L182 HydrophobicContact CG-CD1 4.02Å
170	G	98.4	Very high	98.2	Very high	22 Å²	22	66.7 Å²	66.7	23%	0.227	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	90.5	-170.6	0	0	0	0	0	110.5	S167 M168 F178	S167-G170 PolarHBondContact O-N 3.26Å; M168-G170 VanDerWaalsContact C-N 3.25Å; M168-G170 PolarHBondContact O-N 3.45Å; G170-F178 CarbonylContact C-O 3.57Å; G170-F178 VanDerWaalsContact CA-O 3.31Å; G170-F178 WeakPolarHBondContact CA-O 3.27Å
171	G	98.2	Very high	98.2	Very high	10 Å²	10	67.1 Å²	67.1	10%	0.103	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	167.2	-170.5	0	0	0	0	0	114.9	F178	G171-F178 PolarHBondContact N-O 2.84Å; G171-F178 VanDerWaalsContact N-O 3.1Å; G171-F178 PolarHBondContact O-N 3.45Å
172	Y	98.5	Very high	98.1	Very high	143 Å²	143	64.8 Å²	64.8	56%	0.561	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	137.7	179.5	-72.5	-91.8	0	0	0	112.5	R166 T176 Y177	R166-Y172 VanDerWaalsContact CD-O 3.31Å; R166-Y172 WeakPolarHBondContact CD-O 3.47Å; Y172-T176 WeakPolarHBondContact CA-O 3.42Å; Y172-Y177 HydrophobicContact CD1-CD2 4.46Å; Y172-Y177 AromaticContact CD2-CD2 3.63Å; Y172-Y177 HydrophobicContact CD2-CD2 3.63Å; Y172-Y177 HydrophobicContact CD2-CE2 4.36Å; Y172-Y177 HydrophobicContact CE1-CD2 4.33Å; Y172-Y177 HydrophobicContact CE1-CG 4.47Å; Y172-Y177 AromaticContact CE2-CD2 3.45Å; Y172-Y177 HydrophobicContact CE2-CD2 3.45Å; Y172-Y177 VanDerWaalsContact CE2-CD2 3.45Å; Y172-Y177 HydrophobicContact CE2-CE2 4.18Å; Y172-Y177 HydrophobicContact CE2-CG 4.26Å; Y172-Y177 HydrophobicContact CG-CD2 4.13Å; Y172-Y177 AromaticContact CZ-CD2 3.83Å
173	I	98	Very high	97.9	Very high	25 Å²	25	69.6 Å²	69.6	13%	0.128	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	113.3	161	-53.5	-62.2	0	0	0	106.9	Y100 N163 R166 S175 T176 F178	Y100-I173 HydrophobicContact CD2-CB 4.44Å; Y100-I173 HydrophobicContact CD2-CG1 4.31Å; Y100-I173 HydrophobicContact CD2-CG2 4.18Å; Y100-I173 HydrophobicContact CE2-CB 4.46Å; Y100-I173 HydrophobicContact CE2-CG2 3.72Å; N163-I173 HydrophobicContact CB-CD1 3.68Å; N163-I173 HydrophobicContact CB-CG1 4.49Å; N163-I173 WeakPolarHBondContact O-CD1 3.43Å; R166-I173 HydrophobicContact CB-CD1 4.32Å; R166-I173 HydrophobicContact CG-CD1 4.38Å; I173-S175 PolarHBondContact O-N 3.31Å; I173-T176 PolarHBondContact N-O 3.36Å; I173-T176 PolarHBondContact O-N 2.93Å; I173-T176 VanDerWaalsContact O-N 3.16Å; I173-F178 HydrophobicContact CB-CD2 4.29Å; I173-F178 HydrophobicContact CB-CE2 4.01Å; I173-F178 HydrophobicContact CG1-CD2 4.04Å; I173-F178 HydrophobicContact CG1-CE2 4.13Å
174	G	95.2	Very high	97.8	Very high	75 Å²	75	72.3 Å²	72.3	77%	0.773	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	-126.4	-166.5	0	0	0	0	0	110.8
175	S	96.3	Very high	97.8	Very high	117 Å²	117	76.1 Å²	76.1	82%	0.818	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-0.5	177.1	52.4	0	0	0	0	114.4	I173	I173-S175 PolarHBondContact O-N 3.31Å
176	T	97.9	Very high	97.7	Very high	48 Å²	48	77.4 Å²	77.4	29%	0.294	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	123.3	-175.7	-55.4	0	0	0	0	110.5	M98 L106 Y172 I173 F178	M98-T176 HydrophobicContact CE-CG2 3.86Å; L106-T176 HydrophobicContact CD1-CG2 3.98Å; Y172-T176 WeakPolarHBondContact CA-O 3.42Å; I173-T176 PolarHBondContact N-O 3.36Å; I173-T176 PolarHBondContact O-N 2.93Å; I173-T176 VanDerWaalsContact O-N 3.16Å; T176-F178 HydrophobicContact CG2-CD2 4.29Å; T176-F178 HydrophobicContact CG2-CE2 3.81Å; T176-F178 HydrophobicContact CG2-CZ 4.18Å
177	Y	98.4	Very high	97.7	Very high	113 Å²	113	73.2 Å²	73.2	44%	0.443	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	126.2	170.7	-173.2	-103.7	0	0	0	110	M98 Y172	M98-Y177 WeakPolarHBondContact CE-O 3.46Å; Y172-Y177 HydrophobicContact CD1-CD2 4.46Å; Y172-Y177 AromaticContact CD2-CD2 3.63Å; Y172-Y177 HydrophobicContact CD2-CD2 3.63Å; Y172-Y177 HydrophobicContact CD2-CE2 4.36Å; Y172-Y177 HydrophobicContact CE1-CD2 4.33Å; Y172-Y177 HydrophobicContact CE1-CG 4.47Å; Y172-Y177 AromaticContact CE2-CD2 3.45Å; Y172-Y177 HydrophobicContact CE2-CD2 3.45Å; Y172-Y177 VanDerWaalsContact CE2-CD2 3.45Å; Y172-Y177 HydrophobicContact CE2-CE2 4.18Å; Y172-Y177 HydrophobicContact CE2-CG 4.26Å; Y172-Y177 HydrophobicContact CG-CD2 4.13Å; Y172-Y177 AromaticContact CZ-CD2 3.83Å
178	F	98.6	Very high	97.6	Very high	7 Å²	7	77.6 Å²	77.6	3%	0.031	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.2	172.2	-73.5	-97.4	0	0	0	109.7	M98 V99 Y100 L106 G170 G171 I173 T176	M98-F178 HydrophobicContact CE-CD1 4.24Å; M98-F178 HydrophobicContact CE-CE1 4.4Å; M98-F178 HydrophobicContact CG-CD1 3.97Å; M98-F178 HydrophobicContact CG-CE1 4.44Å; M98-F178 HydrophobicContact SD-CD1 4.47Å; V99-F178 VanDerWaalsContact C-CE1 3.46Å; V99-F178 WeakPolarHBondContact O-CE1 3.3Å; Y100-F178 HydrophobicContact CD2-CE1 4.48Å; Y100-F178 HydrophobicContact CD2-CE2 4.11Å; Y100-F178 AromaticContact CD2-CZ 3.84Å; Y100-F178 HydrophobicContact CD2-CZ 3.84Å; Y100-F178 HydrophobicContact CG-CZ 4.44Å; L106-F178 HydrophobicContact CD2-CE1 3.76Å; L106-F178 HydrophobicContact CD2-CZ 3.96Å; G170-F178 CarbonylContact C-O 3.57Å; G170-F178 VanDerWaalsContact CA-O 3.31Å; G170-F178 WeakPolarHBondContact CA-O 3.27Å; G171-F178 PolarHBondContact N-O 2.84Å; G171-F178 VanDerWaalsContact N-O 3.1Å; G171-F178 PolarHBondContact O-N 3.45Å; I173-F178 HydrophobicContact CB-CD2 4.29Å; I173-F178 HydrophobicContact CB-CE2 4.01Å; I173-F178 HydrophobicContact CG1-CD2 4.04Å; I173-F178 HydrophobicContact CG1-CE2 4.13Å; T176-F178 HydrophobicContact CG2-CD2 4.29Å; T176-F178 HydrophobicContact CG2-CE2 3.81Å; T176-F178 HydrophobicContact CG2-CZ 4.18Å
179	E	98.1	Very high	97.6	Very high	130 Å²	130	82.7 Å²	82.7	61%	0.607	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-64.8	149.9	175.6	-63.4	-175.1	172	0	0	111.8	M98 C181	M98-E179 HydrophobicContact SD-CG 4.25Å; E179-C181 PolarHBondContact O-N 3.01Å
180	R	98.5	Very high	97.5	Very high	149 Å²	149	77.7 Å²	77.7	56%	0.562	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-66.4	126.6	178.3	177	177.1	173.7	68	3.5	110.5	M168	M168-R180 WeakPolarHBondContact O-CA 3.41Å
181	C	98.4	Very high	97.4	Very high	10 Å²	10	82 Å²	82	7%	0.068	42%	0.421	C	S	.	.			trans	-132.7	26.6	-178.4	63.1	0	0	0	0	114.3	G74 K75 T97 M168 E179	G74-C181 CarbonylContact C-O 3.41Å; G74-C181 WeakPolarHBondContact CA-O 3.49Å; K75-C181 PolarHBondContact N-O 3.43Å; T97-C181 HydrophobicContact CG2-CB 3.49Å; T97-C181 VanDerWaalsContact CG2-CB 3.49Å; M168-C181 PolarHBondContact O-N 3Å; E179-C181 PolarHBondContact O-N 3.01Å
182	L	97.7	Very high	97.4	Very high	46 Å²	46	88 Å²	88	24%	0.241	45%	0.447	C	S	.	.	B	Isolated β-bridge	trans	-70.7	147.9	170	-60.5	-172.9	0	0	0	111.7	S73 M168 R169	S73-L182 CarbonylContact O-C 3.59Å; S73-L182 WeakPolarHBondContact O-CA 3.33Å; M168-L182 HydrophobicContact CB-CD2 3.64Å; M168-L182 HydrophobicContact CB-CG 4.42Å; M168-L182 HydrophobicContact CE-CD2 3.82Å; M168-L182 HydrophobicContact SD-CD2 4.3Å; R169-L182 HydrophobicContact CG-CD1 4.02Å
183	K	93	Very high	97.3	Very high	193 Å²	193	83 Å²	83	84%	0.839	44%	0.437	S	S	*	.			trans	-62.2	0	172.6	-179.5	179.2	178.2	175.7	0	112.6	C65 S73 K75	C65-K183 HydrophobicContact CB-CD 4.05Å; S73-K183 PolarHBondContact O-N 3.11Å; K75-K183 HydrophobicContact CB-CB 4.28Å

Retrieved 183 of 183 residues in 1361.2 ms (Link to these results)

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