A0A087XQT7_POEFO Loading...

Hypoxia-inducible factor 1-alpha

AlphaFold DB , UniProt , Accession A0A087XQT7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 762 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	42	Very low	53.3	Low	224 Å²	224	145.3 Å²	145.3	100%	1.103	74%	0.738	S	S	*	*				0	75.5	0	-92.1	-168.8	170.5	0	0	106
2	D	39.7	Very low	54.1	Low	141 Å²	141	140.8 Å²	140.8	75%	0.754	72%	0.723	S	S	*	*			trans	-114.3	86.3	-161.9	-67	-91.5	0	0	0	107.6	A4	D2-A4 PolarHBondContact O-N 3.43Å
3	T	49	Very low	55.3	Low	130 Å²	130	136.3 Å²	136.3	80%	0.798	71%	0.712	S	S	*	*			trans	-65.4	94.3	-179.7	34.7	0	0	0	0	109.7	I5	T3-I5 WeakPolarHBondContact O-CG1 3.38Å; T3-I5 PolarHBondContact O-N 3.36Å
4	A	52	Low	56.8	Low	89 Å²	89	130.4 Å²	130.4	74%	0.736	69%	0.687	S	S	*	*			trans	-54.9	103.4	-177.5	0	0	0	0	0	111.8	D2 I6	D2-A4 PolarHBondContact O-N 3.43Å; A4-I6 VanDerWaalsContact C-N 3.34Å; A4-I6 PolarHBondContact O-N 2.93Å
5	I	59.3	Low	58.5	Low	156 Å²	156	129.7 Å²	129.7	80%	0.8	68%	0.679	S	S	*	*			trans	-72.6	89.3	179.5	-56.4	178.4	0	0	0	108.8	T3 P7	T3-I5 WeakPolarHBondContact O-CG1 3.38Å; T3-I5 PolarHBondContact O-N 3.36Å; I5-P7 WeakPolarHBondContact O-CD 3.19Å
6	I	58	Low	60	Low	116 Å²	116	132.1 Å²	132.1	60%	0.595	68%	0.676	S	S	*	*			trans	-58.9	119.4	171.6	-58.9	175.8	0	0	0	107.8	A4 E8	A4-I6 VanDerWaalsContact C-N 3.34Å; A4-I6 PolarHBondContact O-N 2.93Å; I6-E8 PolarHBondContact O-N 2.86Å
7	P	56.8	Low	61.5	Low	74 Å²	74	133.5 Å²	133.5	48%	0.481	67%	0.671	S	S	.	*			trans	-64.5	128.4	-170.9	23.9	-34	0	0	0	111.1	I5 K9 K10 R11	I5-P7 WeakPolarHBondContact O-CD 3.19Å; P7-K9 PolarHBondContact O-N 2.9Å; P7-K10 HydrophobicContact CG-CB 4.45Å; P7-K10 HydrophobicContact CG-CD 4.09Å; P7-K10 HydrophobicContact CG-CG 4.2Å; P7-K10 WeakPolarHBondContact O-CB 3.44Å; P7-K10 PolarHBondContact O-N 3.31Å; P7-R11 PolarHBondContact O-N 3.05Å
8	E	57.3	Low	63.1	Low	157 Å²	157	134.6 Å²	134.6	73%	0.734	67%	0.671	S	S	*	*	H	α-helix	trans	-51.8	-36.2	-169.7	-61.1	-178.6	127.5	0	0	113.8	I6 K10 R11 V12	I6-E8 PolarHBondContact O-N 2.86Å; E8-K10 VanDerWaalsContact C-N 3.27Å; E8-K10 PolarHBondContact O-N 3.32Å; E8-R11 WeakPolarHBondContact O-CA 3.41Å; E8-R11 WeakPolarHBondContact O-CB 2.95Å; E8-R11 PolarHBondContact O-N 2.95Å; E8-V12 WeakPolarHBondContact O-CG2 3.28Å; E8-V12 PolarHBondContact O-N 3.48Å
9	K	57.4	Low	64.5	Low	189 Å²	189	132.3 Å²	132.3	82%	0.822	66%	0.658	S	S	*	*	H	α-helix	trans	-58.9	-33.5	176.1	-70.4	-177.2	177.1	177.4	0	113.3	P7 S13	P7-K9 PolarHBondContact O-N 2.9Å; K9-S13 WeakPolarHBondContact O-CB 3.31Å; K9-S13 PolarHBondContact O-N 3.1Å
10	K	55.7	Low	65.9	Low	150 Å²	150	133 Å²	133	65%	0.652	66%	0.657	S	S	*	*	H	α-helix	trans	-72.5	-39.2	171	-73.8	-171.5	177.7	-178.9	0	111.2	P7 E8 S13 S14	P7-K10 HydrophobicContact CG-CB 4.45Å; P7-K10 HydrophobicContact CG-CD 4.09Å; P7-K10 HydrophobicContact CG-CG 4.2Å; P7-K10 WeakPolarHBondContact O-CB 3.44Å; P7-K10 PolarHBondContact O-N 3.31Å; E8-K10 VanDerWaalsContact C-N 3.27Å; E8-K10 PolarHBondContact O-N 3.32Å; K10-S13 PolarHBondContact O-N 3.12Å; K10-S14 WeakPolarHBondContact O-CB 3.49Å; K10-S14 PolarHBondContact O-N 2.83Å; K10-S14 PolarHBondContact O-OG 3.43Å
11	R	59.4	Low	67.2	Low	172 Å²	172	129.6 Å²	129.6	65%	0.649	65%	0.646	S	S	*	*	H	α-helix	trans	-59.9	-58.2	177.9	-165.5	171.4	-177.1	146.5	0	110.9	P7 E8 S13 S14 E15	P7-R11 PolarHBondContact O-N 3.05Å; E8-R11 WeakPolarHBondContact O-CA 3.41Å; E8-R11 WeakPolarHBondContact O-CB 2.95Å; E8-R11 PolarHBondContact O-N 2.95Å; R11-S13 VanDerWaalsContact C-N 3.3Å; R11-S13 PolarHBondContact O-N 3.32Å; R11-S14 PolarHBondContact O-N 2.89Å; R11-S14 VanDerWaalsContact O-N 3.09Å; R11-S14 PolarHBondContact O-OG 3.41Å; R11-E15 WeakPolarHBondContact O-CB 3.39Å; R11-E15 PolarHBondContact O-N 3.29Å
12	V	62	Low	69.7	Low	92 Å²	92	125.3 Å²	125.3	56%	0.558	62%	0.618	S	S	*	*	H	α-helix	trans	-57.4	-38.9	176.9	177.5	0	0	0	0	112.4	E8 E15 R16	E8-V12 WeakPolarHBondContact O-CG2 3.28Å; E8-V12 PolarHBondContact O-N 3.48Å; V12-E15 PolarHBondContact O-N 3.17Å; V12-R16 WeakPolarHBondContact O-CB 3.42Å; V12-R16 PolarHBondContact O-N 3.3Å
13	S	70.4	Confident	72.3	Confident	82 Å²	82	121.5 Å²	121.5	57%	0.573	60%	0.597	S	S	*	*	H	α-helix	trans	-64	-44.4	175.5	-178.7	0	0	0	0	112.4	K9 K10 R11 R17	K9-S13 WeakPolarHBondContact O-CB 3.31Å; K9-S13 PolarHBondContact O-N 3.1Å; K10-S13 PolarHBondContact O-N 3.12Å; R11-S13 VanDerWaalsContact C-N 3.3Å; R11-S13 PolarHBondContact O-N 3.32Å; S13-R17 PolarHBondContact O-N 3.18Å
14	S	76.4	Confident	74.4	Confident	53 Å²	53	116.8 Å²	116.8	37%	0.371	57%	0.571	S	S	.	*	H	α-helix	trans	-68.6	-36.1	176.7	71.7	0	0	0	0	113	K10 R11 R17 K18	K10-S14 WeakPolarHBondContact O-CB 3.49Å; K10-S14 PolarHBondContact O-N 2.83Å; K10-S14 PolarHBondContact O-OG 3.43Å; R11-S14 PolarHBondContact O-N 2.89Å; R11-S14 VanDerWaalsContact O-N 3.09Å; R11-S14 PolarHBondContact O-OG 3.41Å; S14-R17 WeakPolarHBondContact O-CB 3.33Å; S14-R17 PolarHBondContact O-N 3.22Å; S14-K18 WeakPolarHBondContact O-CG 3.49Å; S14-K18 PolarHBondContact O-N 3.12Å
15	E	82.3	Confident	76.4	Confident	120 Å²	120	113.6 Å²	113.6	56%	0.561	55%	0.545	S	S	*	.	H	α-helix	trans	-66.4	-49.2	178.7	-175.4	157.7	-140.1	0	0	111.1	R11 V12 R17 K18 E19	R11-E15 WeakPolarHBondContact O-CB 3.39Å; R11-E15 PolarHBondContact O-N 3.29Å; V12-E15 PolarHBondContact O-N 3.17Å; E15-R17 PolarHBondContact O-N 3.13Å; E15-K18 WeakPolarHBondContact O-CB 3.48Å; E15-K18 PolarHBondContact O-N 3.08Å; E15-E19 WeakPolarHBondContact O-CB 3.19Å; E15-E19 PolarHBondContact O-N 3.02Å
16	R	81.7	Confident	78.1	Confident	168 Å²	168	113.8 Å²	113.8	63%	0.634	54%	0.536	S	S	*	.	H	α-helix	trans	-61.9	-25.5	173.9	-162.1	177.5	-173.2	-165.1	3.1	113.2	V12 K20	V12-R16 WeakPolarHBondContact O-CB 3.42Å; V12-R16 PolarHBondContact O-N 3.3Å; R16-K20 WeakPolarHBondContact O-CG 3.44Å; R16-K20 PolarHBondContact O-N 3.28Å
17	R	85.7	Confident	79.9	Confident	157 Å²	157	111.7 Å²	111.7	59%	0.592	53%	0.53	S	S	*	.	H	α-helix	trans	-76	-41.8	172.4	-166.3	175.4	-171.1	159.1	2.9	111.9	S13 S14 E15 S21	S13-R17 PolarHBondContact O-N 3.18Å; S14-R17 WeakPolarHBondContact O-CB 3.33Å; S14-R17 PolarHBondContact O-N 3.22Å; E15-R17 PolarHBondContact O-N 3.13Å; R17-S21 WeakPolarHBondContact O-CB 3.43Å; R17-S21 PolarHBondContact O-N 3.02Å
18	K	90.2	Very high	81.8	Confident	153 Å²	153	114.4 Å²	114.4	67%	0.665	53%	0.531	S	S	*	.	H	α-helix	trans	-64.5	-41	173.8	-72.8	175.5	179.6	-174.8	0	111.8	S14 E15 S21 R22	S14-K18 WeakPolarHBondContact O-CG 3.49Å; S14-K18 PolarHBondContact O-N 3.12Å; E15-K18 WeakPolarHBondContact O-CB 3.48Å; E15-K18 PolarHBondContact O-N 3.08Å; K18-S21 PolarHBondContact O-N 3.15Å; K18-R22 VanDerWaalsContact O-CB 3.3Å; K18-R22 WeakPolarHBondContact O-CB 3.45Å; K18-R22 PolarHBondContact O-N 3.31Å
19	E	90	Very high	83.6	Confident	90 Å²	90	114.7 Å²	114.7	42%	0.421	53%	0.525	S	S	.	.	H	α-helix	trans	-57.5	-57.9	173.5	171.2	171	-105	0	0	111.6	E15 S21 R22 D23	E15-E19 WeakPolarHBondContact O-CB 3.19Å; E15-E19 PolarHBondContact O-N 3.02Å; E19-S21 VanDerWaalsContact C-N 3.26Å; E19-S21 PolarHBondContact O-N 3.31Å; E19-R22 WeakPolarHBondContact O-CB 3.5Å; E19-R22 PolarHBondContact O-N 3.43Å; E19-R22 IonicContact OE1-NH2 3.87Å; E19-D23 PolarHBondContact O-N 2.91Å
20	K	92.4	Very high	85.4	Confident	147 Å²	147	107.6 Å²	107.6	64%	0.639	51%	0.506	S	S	*	.	H	α-helix	trans	-53.4	-43.5	174.9	-77.9	-173.9	170.7	-159.2	0	112.6	R16 A24	R16-K20 WeakPolarHBondContact O-CG 3.44Å; R16-K20 PolarHBondContact O-N 3.28Å; K20-A24 WeakPolarHBondContact O-CB 3.44Å; K20-A24 PolarHBondContact O-N 3.08Å
21	S	93.1	Very high	87.3	Confident	61 Å²	61	105 Å²	105	43%	0.427	50%	0.495	S	S	.	.	H	α-helix	trans	-64.4	-41.2	177.5	-173.5	0	0	0	0	112.6	R17 K18 E19 A25	R17-S21 WeakPolarHBondContact O-CB 3.43Å; R17-S21 PolarHBondContact O-N 3.02Å; K18-S21 PolarHBondContact O-N 3.15Å; E19-S21 VanDerWaalsContact C-N 3.26Å; E19-S21 PolarHBondContact O-N 3.31Å; S21-A25 WeakPolarHBondContact O-CB 3.42Å; S21-A25 PolarHBondContact O-N 2.94Å
22	R	94	Very high	89	Confident	135 Å²	135	100.4 Å²	100.4	51%	0.509	48%	0.481	S	S	.	.	H	α-helix	trans	-64	-46.2	177.2	175.5	-172.4	66.7	-154.5	-6.5	111.1	K18 E19 A25 R26	K18-R22 VanDerWaalsContact O-CB 3.3Å; K18-R22 WeakPolarHBondContact O-CB 3.45Å; K18-R22 PolarHBondContact O-N 3.31Å; E19-R22 WeakPolarHBondContact O-CB 3.5Å; E19-R22 PolarHBondContact O-N 3.43Å; E19-R22 IonicContact OE1-NH2 3.87Å; R22-A25 PolarHBondContact O-N 3.27Å; R22-R26 WeakPolarHBondContact O-CB 3.29Å; R22-R26 PolarHBondContact O-N 3.43Å
23	D	94.3	Very high	90.6	Very high	61 Å²	61	98.4 Å²	98.4	33%	0.326	47%	0.471	S	S	.	.	H	α-helix	trans	-77.5	-33.6	-174.6	-61.6	-36.3	0	0	0	111.7	E19 R26 C27	E19-D23 PolarHBondContact O-N 2.91Å; D23-R26 PolarHBondContact O-N 3.1Å; D23-R26 IonicContact OD1-NH1 3.53Å; D23-R26 PolarHBondContact OD1-NH1 3.34Å; D23-C27 WeakPolarHBondContact O-CB 3.23Å; D23-C27 PolarHBondContact O-N 3.31Å
24	A	93.3	Very high	91.7	Very high	30 Å²	30	100.4 Å²	100.4	25%	0.248	47%	0.471	C	S	.	.	H	α-helix	trans	-67.6	-39.8	168.6	0	0	0	0	0	112.4	K20 C27 R28 V738	K20-A24 WeakPolarHBondContact O-CB 3.44Å; K20-A24 PolarHBondContact O-N 3.08Å; A24-C27 PolarHBondContact O-N 3.45Å; A24-R28 PolarHBondContact O-N 3.01Å; A24-V738 HydrophobicContact CB-CB 4.42Å; A24-V738 HydrophobicContact CB-CG1 3.46Å; A24-V738 VanDerWaalsContact CB-CG1 3.46Å; A24-V738 HydrophobicContact CB-CG2 4Å
25	A	94.2	Very high	92.6	Very high	23 Å²	23	102.3 Å²	102.3	19%	0.19	48%	0.48	C	S	.	.	H	α-helix	trans	-66.5	-34.8	173	0	0	0	0	0	112.7	S21 R22 R29	S21-A25 WeakPolarHBondContact O-CB 3.42Å; S21-A25 PolarHBondContact O-N 2.94Å; R22-A25 PolarHBondContact O-N 3.27Å; A25-R29 WeakPolarHBondContact O-CB 3.4Å; A25-R29 VanDerWaalsContact O-CG 3.3Å; A25-R29 WeakPolarHBondContact O-CG 3.34Å; A25-R29 PolarHBondContact O-N 3.07Å
26	R	95.4	Very high	93.2	Very high	160 Å²	160	98.8 Å²	98.8	60%	0.604	46%	0.463	S	S	*	.	H	α-helix	trans	-64.2	-46	170.9	176.6	-175	-85	146.4	-18	110.9	R22 D23 R29 G30	R22-R26 WeakPolarHBondContact O-CB 3.29Å; R22-R26 PolarHBondContact O-N 3.43Å; D23-R26 PolarHBondContact O-N 3.1Å; D23-R26 IonicContact OD1-NH1 3.53Å; D23-R26 PolarHBondContact OD1-NH1 3.34Å; R26-R29 PolarHBondContact O-N 3.02Å; R26-G30 PolarHBondContact O-N 3.05Å
27	C	96.2	Very high	93.7	Very high	71 Å²	71	96.7 Å²	96.7	48%	0.48	46%	0.456	S	S	.	.	H	α-helix	trans	-59.1	-46.7	175.1	-176.8	0	0	0	0	111.6	D23 A24 R29 G30 K31	D23-C27 WeakPolarHBondContact O-CB 3.23Å; D23-C27 PolarHBondContact O-N 3.31Å; A24-C27 PolarHBondContact O-N 3.45Å; C27-R29 PolarHBondContact O-N 3.39Å; C27-G30 WeakPolarHBondContact O-CA 3.33Å; C27-G30 PolarHBondContact O-N 3.33Å; C27-G30 VanDerWaalsContact O-N 3.12Å; C27-K31 PolarHBondContact O-N 2.86Å
28	R	95.6	Very high	94	Very high	132 Å²	132	93.2 Å²	93.2	50%	0.498	45%	0.446	S	S	.	.	H	α-helix	trans	-58.6	-47.6	176.2	-166.1	178.6	76.6	-155	6.6	112.1	A24 G30 K31 E32	A24-R28 PolarHBondContact O-N 3.01Å; R28-G30 VanDerWaalsContact C-N 3.26Å; R28-G30 PolarHBondContact O-N 2.8Å; R28-K31 PolarHBondContact O-N 3.46Å; R28-E32 WeakPolarHBondContact O-CB 3.33Å; R28-E32 PolarHBondContact O-N 2.97Å
29	R	95.9	Very high	94.2	Very high	163 Å²	163	88.5 Å²	88.5	62%	0.615	43%	0.428	S	S	*	.	H	α-helix	trans	-63	-30.7	175.6	-73.4	171.6	-179	173.3	0.5	113.1	A25 R26 C27 S33	A25-R29 WeakPolarHBondContact O-CB 3.4Å; A25-R29 VanDerWaalsContact O-CG 3.3Å; A25-R29 WeakPolarHBondContact O-CG 3.34Å; A25-R29 PolarHBondContact O-N 3.07Å; R26-R29 PolarHBondContact O-N 3.02Å; C27-R29 PolarHBondContact O-N 3.39Å; R29-S33 WeakPolarHBondContact O-CB 3.42Å; R29-S33 PolarHBondContact O-N 3.39Å; R29-S33 VanDerWaalsContact O-N 3.1Å; R29-S33 PolarHBondContact O-OG 3.13Å
30	G	95.7	Very high	94.4	Very high	40 Å²	40	84.4 Å²	84.4	41%	0.412	41%	0.41	S	S	.	.	H	α-helix	trans	-62.5	-62.8	171.1	0	0	0	0	0	111	R26 C27 R28 E32 S33 E34	R26-G30 PolarHBondContact O-N 3.05Å; C27-G30 WeakPolarHBondContact O-CA 3.33Å; C27-G30 PolarHBondContact O-N 3.33Å; C27-G30 VanDerWaalsContact O-N 3.12Å; R28-G30 VanDerWaalsContact C-N 3.26Å; R28-G30 PolarHBondContact O-N 2.8Å; G30-E32 VanDerWaalsContact C-N 3.28Å; G30-E32 PolarHBondContact O-N 3.28Å; G30-S33 PolarHBondContact O-N 3.45Å; G30-E34 PolarHBondContact O-N 2.88Å
31	K	95.9	Very high	94.3	Very high	95 Å²	95	80.7 Å²	80.7	41%	0.413	39%	0.394	S	S	.	.	H	α-helix	trans	-54.5	-42.3	177.8	-66.4	-169.3	176.7	-163.9	0	112.7	C27 R28 S33 E34 V35 D735	C27-K31 PolarHBondContact O-N 2.86Å; R28-K31 PolarHBondContact O-N 3.46Å; K31-S33 PolarHBondContact O-N 3.25Å; K31-E34 PolarHBondContact O-N 3.16Å; K31-V35 WeakPolarHBondContact O-CB 3.28Å; K31-V35 VanDerWaalsContact O-CG2 3.31Å; K31-V35 WeakPolarHBondContact O-CG2 3.43Å; K31-V35 PolarHBondContact O-N 2.99Å; K31-D735 IonicContact NZ-OD1 2.94Å; K31-D735 PolarHBondContact NZ-OD1 3.37Å
32	E	94.8	Very high	94.3	Very high	76 Å²	76	84.6 Å²	84.6	36%	0.355	41%	0.405	S	S	.	.	H	α-helix	trans	-57.1	-47.6	175	-179.4	-150.4	120.8	0	0	111.5	R28 G30 V35 F36 K55	R28-E32 WeakPolarHBondContact O-CB 3.33Å; R28-E32 PolarHBondContact O-N 2.97Å; G30-E32 VanDerWaalsContact C-N 3.28Å; G30-E32 PolarHBondContact O-N 3.28Å; E32-V35 PolarHBondContact O-N 3.3Å; E32-F36 HydrophobicContact CG-CD2 4.1Å; E32-F36 HydrophobicContact CG-CE2 4.01Å; E32-F36 WeakPolarHBondContact O-CD2 3.33Å; E32-F36 PolarHBondContact O-N 3.15Å; E32-K55 IonicContact OE1-NZ 3.76Å; E32-K55 PolarHBondContact OE1-NZ 3.32Å
33	S	94.3	Very high	94.1	Very high	50 Å²	50	78.9 Å²	78.9	35%	0.35	38%	0.384	S	S	.	.	H	α-helix	trans	-73.7	-32.1	-178.2	-52.1	0	0	0	0	112.8	R29 G30 K31 Y37 K55	R29-S33 WeakPolarHBondContact O-CB 3.42Å; R29-S33 PolarHBondContact O-N 3.39Å; R29-S33 VanDerWaalsContact O-N 3.1Å; R29-S33 PolarHBondContact O-OG 3.13Å; G30-S33 PolarHBondContact O-N 3.45Å; K31-S33 PolarHBondContact O-N 3.25Å; S33-Y37 WeakPolarHBondContact O-CB 3.39Å; S33-Y37 PolarHBondContact O-N 2.68Å; S33-K55 PolarHBondContact OG-NZ 3.03Å
34	E	94.6	Very high	93.8	Very high	123 Å²	123	79.4 Å²	79.4	58%	0.575	39%	0.391	S	S	*	.	H	α-helix	trans	-62.6	-49.3	170.4	-177.6	175.8	-158.8	0	0	110.9	G30 K31 F36 Y37 E38	G30-E34 PolarHBondContact O-N 2.88Å; K31-E34 PolarHBondContact O-N 3.16Å; E34-F36 VanDerWaalsContact C-N 3.35Å; E34-F36 PolarHBondContact O-N 2.81Å; E34-Y37 PolarHBondContact O-N 3.31Å; E34-Y37 VanDerWaalsContact O-N 3.11Å; E34-E38 PolarHBondContact O-N 3.01Å
35	V	95.6	Very high	93.5	Very high	93 Å²	93	79.4 Å²	79.4	56%	0.564	39%	0.387	S	S	*	.	H	α-helix	trans	-61.4	-40	175.6	169.8	0	0	0	0	112.1	K31 E32 Y37 L39	K31-V35 WeakPolarHBondContact O-CB 3.28Å; K31-V35 VanDerWaalsContact O-CG2 3.31Å; K31-V35 WeakPolarHBondContact O-CG2 3.43Å; K31-V35 PolarHBondContact O-N 2.99Å; E32-V35 PolarHBondContact O-N 3.3Å; V35-Y37 VanDerWaalsContact C-N 3.33Å; V35-Y37 PolarHBondContact O-N 2.7Å; V35-L39 VanDerWaalsContact O-CB 3.28Å; V35-L39 WeakPolarHBondContact O-CB 3.5Å; V35-L39 PolarHBondContact O-N 2.85Å
36	F	94.9	Very high	93.1	Very high	47 Å²	47	82.1 Å²	82.1	21%	0.206	40%	0.403	C	S	.	.	H	α-helix	trans	-63.5	-36.2	173.7	-88.9	-65	0	0	0	113.2	E32 E34 S40 K55 V58 M59	E32-F36 HydrophobicContact CG-CD2 4.1Å; E32-F36 HydrophobicContact CG-CE2 4.01Å; E32-F36 WeakPolarHBondContact O-CD2 3.33Å; E32-F36 PolarHBondContact O-N 3.15Å; E34-F36 VanDerWaalsContact C-N 3.35Å; E34-F36 PolarHBondContact O-N 2.81Å; F36-S40 PolarHBondContact O-N 3.37Å; F36-K55 HydrophobicContact CB-CG 4.22Å; F36-K55 HydrophobicContact CD1-CB 4.12Å; F36-K55 HydrophobicContact CD1-CG 4.08Å; F36-K55 HydrophobicContact CD2-CB 4.38Å; F36-K55 HydrophobicContact CD2-CD 3.54Å; F36-K55 HydrophobicContact CD2-CG 3.82Å; F36-K55 HydrophobicContact CE1-CB 4.06Å; F36-K55 HydrophobicContact CE1-CG 4.43Å; F36-K55 HydrophobicContact CE2-CB 4.33Å; F36-K55 HydrophobicContact CE2-CD 3.79Å; F36-K55 HydrophobicContact CE2-CG 4.19Å; F36-K55 HydrophobicContact CG-CB 4.3Å; F36-K55 HydrophobicContact CG-CD 4.04Å; F36-K55 HydrophobicContact CG-CG 3.78Å; F36-K55 HydrophobicContact CZ-CB 4.17Å; F36-K55 HydrophobicContact CZ-CD 4.46Å; F36-K55 HydrophobicContact CZ-CG 4.49Å; F36-V58 HydrophobicContact CD1-CB 4.47Å; F36-V58 HydrophobicContact CD1-CG1 4.3Å; F36-M59 HydrophobicContact CE1-CG 3.83Å; F36-M59 HydrophobicContact CE1-SD 3.77Å; F36-M59 HydrophobicContact CZ-CG 4.34Å; F36-M59 HydrophobicContact CZ-SD 4.31Å
37	Y	91.2	Very high	92.6	Very high	124 Å²	124	80.5 Å²	80.5	49%	0.486	40%	0.402	S	S	.	.	H	α-helix	trans	-73.2	-40.9	178.4	-178.4	-118.7	0	0	0	112.2	S33 E34 V35 S40 K41	S33-Y37 WeakPolarHBondContact O-CB 3.39Å; S33-Y37 PolarHBondContact O-N 2.68Å; E34-Y37 PolarHBondContact O-N 3.31Å; E34-Y37 VanDerWaalsContact O-N 3.11Å; V35-Y37 VanDerWaalsContact C-N 3.33Å; V35-Y37 PolarHBondContact O-N 2.7Å; Y37-S40 PolarHBondContact O-N 2.69Å; Y37-S40 PolarHBondContact O-OG 2.92Å; Y37-K41 WeakPolarHBondContact O-CG 3.39Å; Y37-K41 PolarHBondContact O-N 2.76Å
38	E	93.3	Very high	92.1	Very high	83 Å²	83	81.4 Å²	81.4	39%	0.388	41%	0.408	S	S	.	.	H	α-helix	trans	-65.9	-38.9	171.8	-61.1	-46.4	128.3	0	0	111.5	E34 S40 K41 Q42	E34-E38 PolarHBondContact O-N 3.01Å; E38-S40 PolarHBondContact O-N 3.5Å; E38-K41 PolarHBondContact O-N 3.25Å; E38-K41 WeakPolarHBondContact OE1-CE 3.5Å; E38-K41 IonicContact OE1-NZ 2.79Å; E38-K41 PolarHBondContact OE1-NZ 3.03Å; E38-K41 WeakPolarHBondContact OE2-CD 3.46Å; E38-K41 WeakPolarHBondContact OE2-CE 3.38Å; E38-K41 IonicContact OE2-NZ 2.68Å; E38-K41 PolarHBondContact OE2-NZ 2.96Å; E38-Q42 WeakPolarHBondContact O-CG 3.24Å; E38-Q42 PolarHBondContact O-N 2.88Å
39	L	94.1	Very high	91.6	Very high	54 Å²	54	77 Å²	77	28%	0.283	40%	0.396	S	S	.	.	H	α-helix	trans	-61.8	-40.4	174.4	-178.5	59.6	0	0	0	112.2	V35 K41 Q42 V58 M59 T62	V35-L39 VanDerWaalsContact O-CB 3.28Å; V35-L39 WeakPolarHBondContact O-CB 3.5Å; V35-L39 PolarHBondContact O-N 2.85Å; L39-K41 VanDerWaalsContact C-N 3.3Å; L39-K41 PolarHBondContact O-N 3.09Å; L39-Q42 PolarHBondContact O-N 3.42Å; L39-Q42 VanDerWaalsContact O-N 3.16Å; L39-V58 HydrophobicContact CB-CG1 4.24Å; L39-V58 HydrophobicContact CD2-CG1 3.85Å; L39-V58 HydrophobicContact CG-CG1 3.8Å; L39-M59 HydrophobicContact CD2-SD 4.48Å; L39-T62 HydrophobicContact CD1-CG2 4.14Å
40	S	93.6	Very high	91.1	Very high	5 Å²	5	69.3 Å²	69.3	4%	0.035	37%	0.368	C	S	.	.	H	α-helix	trans	-69.2	-26.2	178.7	89.7	0	0	0	0	113.2	F36 Y37 E38 Q42 S50	F36-S40 PolarHBondContact O-N 3.37Å; Y37-S40 PolarHBondContact O-N 2.69Å; Y37-S40 PolarHBondContact O-OG 2.92Å; E38-S40 PolarHBondContact O-N 3.5Å; S40-Q42 VanDerWaalsContact C-N 3.33Å; S40-S50 WeakPolarHBondContact CB-O 2.92Å; S40-S50 WeakPolarHBondContact O-CB 3.37Å; S40-S50 PolarHBondContact O-OG 2.98Å; S40-S50 VanDerWaalsContact O-OG 3.1Å; S40-S50 PolarHBondContact OG-O 2.79Å
41	K	91	Very high	90.5	Very high	69 Å²	69	70.3 Å²	70.3	30%	0.3	37%	0.368	S	S	.	.	H	α-helix	trans	-69.2	-28	170.7	-66.5	177	-158.7	165.4	0	113.7	Y37 E38 L39 L43	Y37-K41 WeakPolarHBondContact O-CG 3.39Å; Y37-K41 PolarHBondContact O-N 2.76Å; E38-K41 PolarHBondContact O-N 3.25Å; E38-K41 WeakPolarHBondContact OE1-CE 3.5Å; E38-K41 IonicContact OE1-NZ 2.79Å; E38-K41 PolarHBondContact OE1-NZ 3.03Å; E38-K41 WeakPolarHBondContact OE2-CD 3.46Å; E38-K41 WeakPolarHBondContact OE2-CE 3.38Å; E38-K41 IonicContact OE2-NZ 2.68Å; E38-K41 PolarHBondContact OE2-NZ 2.96Å; L39-K41 VanDerWaalsContact C-N 3.3Å; L39-K41 PolarHBondContact O-N 3.09Å; K41-L43 VanDerWaalsContact C-N 3.34Å
42	Q	92.4	Very high	90	Very high	143 Å²	143	72.3 Å²	72.3	67%	0.668	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.1	-178.8	-59.4	-63.5	-22.9	0	0	113.3	E38 L39 S40	E38-Q42 WeakPolarHBondContact O-CG 3.24Å; E38-Q42 PolarHBondContact O-N 2.88Å; L39-Q42 PolarHBondContact O-N 3.42Å; L39-Q42 VanDerWaalsContact O-N 3.16Å; S40-Q42 VanDerWaalsContact C-N 3.33Å
43	L	90.9	Very high	89.8	Confident	14 Å²	14	70.3 Å²	70.3	7%	0.073	38%	0.375	C	S	.	.	S	Bend	trans	-72	145.7	173.8	-70.1	174.1	0	0	0	110.9	K41 I45 L53 V58 L61	K41-L43 VanDerWaalsContact C-N 3.34Å; L43-I45 HydrophobicContact CB-CD1 4.15Å; L43-I45 HydrophobicContact CB-CG1 3.78Å; L43-I45 HydrophobicContact CD1-CD1 4.26Å; L43-I45 PolarHBondContact O-N 2.96Å; L43-L53 HydrophobicContact CD1-CD1 4.14Å; L43-V58 HydrophobicContact CD1-CG1 4.36Å; L43-L61 HydrophobicContact CD1-CB 3.84Å; L43-L61 HydrophobicContact CD1-CD1 3.96Å; L43-L61 HydrophobicContact CD2-CB 3.95Å
44	P	87.6	Confident	89.7	Confident	73 Å²	73	72 Å²	72	47%	0.474	38%	0.38	S	S	.	.	S	Bend	trans	-77.7	58.8	-179.3	36.4	-40.5	0	0	0	111.8	Y65	P44-Y65 HydrophobicContact CB-CE2 4.34Å; P44-Y65 HydrophobicContact CG-CD2 3.71Å; P44-Y65 HydrophobicContact CG-CE2 3.68Å; P44-Y65 HydrophobicContact CG-CG 4.42Å
45	I	86.6	Confident	89.7	Confident	29 Å²	29	69.9 Å²	69.9	15%	0.149	37%	0.369	C	S	.	.	S	Bend	trans	-141.4	152.9	-179.1	52.6	168.5	0	0	0	110.3	L43 H47 T49 L53 L61	L43-I45 HydrophobicContact CB-CD1 4.15Å; L43-I45 HydrophobicContact CB-CG1 3.78Å; L43-I45 HydrophobicContact CD1-CD1 4.26Å; L43-I45 PolarHBondContact O-N 2.96Å; I45-H47 PolarHBondContact O-N 3.01Å; I45-T49 HydrophobicContact CD1-CG2 4.47Å; I45-L53 HydrophobicContact CD1-CD1 3.62Å; I45-L61 HydrophobicContact CD1-CD1 4.26Å
46	P	85.9	Confident	89.6	Confident	81 Å²	81	68.3 Å²	68.3	53%	0.526	37%	0.366	S	S	.	.			trans	-56.3	135.8	176.6	-26.3	35.5	0	0	0	112.6	S48 T49 S50	P46-S48 PolarHBondContact O-N 3.41Å; P46-S48 VanDerWaalsContact O-N 3.1Å; P46-T49 WeakPolarHBondContact O-CA 3.24Å; P46-T49 WeakPolarHBondContact O-CB 3.11Å; P46-T49 PolarHBondContact O-N 3.38Å; P46-S50 PolarHBondContact O-N 3.41Å
47	H	84.7	Confident	89.6	Confident	126 Å²	126	66.6 Å²	66.6	58%	0.583	36%	0.36	S	S	*	.	H	α-helix	trans	-58.9	-25.7	-178.9	-64.6	-35.3	0	0	0	114	I45 T49 S50 S51	I45-H47 PolarHBondContact O-N 3.01Å; H47-T49 PolarHBondContact O-N 3.43Å; H47-S50 PolarHBondContact O-N 3.18Å; H47-S51 WeakPolarHBondContact O-CB 3.49Å; H47-S51 PolarHBondContact O-N 2.95Å; H47-S51 VanDerWaalsContact O-N 3.1Å; H47-S51 PolarHBondContact O-OG 3.17Å
48	S	85.4	Confident	89.8	Confident	89 Å²	89	60.9 Å²	60.9	62%	0.622	34%	0.338	S	S	*	.	H	α-helix	trans	-60.8	-31.3	171.5	46.3	0	0	0	0	113.1	P46 N52	P46-S48 PolarHBondContact O-N 3.41Å; P46-S48 VanDerWaalsContact O-N 3.1Å; S48-N52 PolarHBondContact O-ND2 3.25Å
49	T	84.3	Confident	89.9	Confident	40 Å²	40	60.6 Å²	60.6	25%	0.245	34%	0.338	C	S	.	.	H	α-helix	trans	-86.8	-47	171.6	-57.3	0	0	0	0	110.5	I45 P46 H47 S51 N52 F126	I45-T49 HydrophobicContact CD1-CG2 4.47Å; P46-T49 WeakPolarHBondContact O-CA 3.24Å; P46-T49 WeakPolarHBondContact O-CB 3.11Å; P46-T49 PolarHBondContact O-N 3.38Å; H47-T49 PolarHBondContact O-N 3.43Å; T49-S51 VanDerWaalsContact C-N 3.26Å; T49-S51 PolarHBondContact O-N 3.22Å; T49-N52 PolarHBondContact O-N 3.01Å; T49-F126 HydrophobicContact CG2-CD1 3.77Å; T49-F126 HydrophobicContact CG2-CE1 3.57Å; T49-F126 HydrophobicContact CG2-CE2 4.46Å; T49-F126 HydrophobicContact CG2-CG 4.31Å; T49-F126 HydrophobicContact CG2-CZ 3.94Å
50	S	85.5	Confident	89.9	Confident	2 Å²	2	59.7 Å²	59.7	1%	0.014	33%	0.33	C	S	.	.	H	α-helix	trans	-65.3	-26.3	-170.2	94	0	0	0	0	114.8	S40 P46 H47 N52	S40-S50 WeakPolarHBondContact CB-O 2.92Å; S40-S50 WeakPolarHBondContact O-CB 3.37Å; S40-S50 PolarHBondContact O-OG 2.98Å; S40-S50 VanDerWaalsContact O-OG 3.1Å; S40-S50 PolarHBondContact OG-O 2.79Å; P46-S50 PolarHBondContact O-N 3.41Å; H47-S50 PolarHBondContact O-N 3.18Å; S50-N52 VanDerWaalsContact C-N 3.3Å; S50-N52 PolarHBondContact O-N 2.76Å
51	S	83.3	Confident	90	Very high	61 Å²	61	60 Å²	60	43%	0.427	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-17.1	174.3	50.4	0	0	0	0	114.5	H47 T49	H47-S51 WeakPolarHBondContact O-CB 3.49Å; H47-S51 PolarHBondContact O-N 2.95Å; H47-S51 VanDerWaalsContact O-N 3.1Å; H47-S51 PolarHBondContact O-OG 3.17Å; T49-S51 VanDerWaalsContact C-N 3.26Å; T49-S51 PolarHBondContact O-N 3.22Å
52	N	86.3	Confident	90.2	Very high	136 Å²	136	57.9 Å²	57.9	73%	0.727	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	3.5	-176.3	-68.1	-67.3	0	0	0	113.5	S48 T49 S50	S48-N52 PolarHBondContact O-ND2 3.25Å; T49-N52 PolarHBondContact O-N 3.01Å; S50-N52 VanDerWaalsContact C-N 3.3Å; S50-N52 PolarHBondContact O-N 2.76Å
53	L	89.8	Confident	90.3	Very high	34 Å²	34	54.8 Å²	54.8	18%	0.178	31%	0.312	C	S	.	.			trans	-76.1	142.5	178.1	-65	177.8	0	0	0	112.1	L43 I45 V58 L61 F126	L43-L53 HydrophobicContact CD1-CD1 4.14Å; I45-L53 HydrophobicContact CD1-CD1 3.62Å; L53-V58 HydrophobicContact CB-CG2 3.86Å; L53-V58 HydrophobicContact CD1-CG2 4.25Å; L53-L61 HydrophobicContact CD1-CD1 3.58Å; L53-L61 HydrophobicContact CD2-CD1 4.47Å; L53-F126 HydrophobicContact CD2-CD2 4.39Å
54	D	92.2	Very high	90.5	Very high	86 Å²	86	54.2 Å²	54.2	46%	0.46	31%	0.309	S	S	.	.			trans	-76.3	161.7	166.3	74	-85.6	0	0	0	111.8	A56 S57 V58	D54-A56 VanDerWaalsContact C-N 3.29Å; D54-A56 PolarHBondContact O-N 2.73Å; D54-A56 WeakPolarHBondContact OD2-CA 3.05Å; D54-A56 VanDerWaalsContact OD2-CB 3.3Å; D54-A56 WeakPolarHBondContact OD2-CB 3.38Å; D54-A56 PolarHBondContact OD2-N 2.72Å; D54-S57 PolarHBondContact O-N 3.21Å; D54-S57 VanDerWaalsContact O-N 3.16Å; D54-S57 WeakPolarHBondContact OD1-CB 3.35Å; D54-S57 PolarHBondContact OD1-OG 3.08Å; D54-S57 PolarHBondContact OD2-N 3.17Å; D54-V58 WeakPolarHBondContact O-CG2 3.43Å; D54-V58 PolarHBondContact O-N 3.46Å
55	K	94.3	Very high	90.7	Very high	78 Å²	78	55.4 Å²	55.4	34%	0.339	31%	0.305	S	S	.	.	H	α-helix	trans	-59.9	-32.8	-176.6	-68.4	-179.5	169.8	178	0	114.1	E32 S33 F36 M59	E32-K55 IonicContact OE1-NZ 3.76Å; E32-K55 PolarHBondContact OE1-NZ 3.32Å; S33-K55 PolarHBondContact OG-NZ 3.03Å; F36-K55 HydrophobicContact CB-CG 4.22Å; F36-K55 HydrophobicContact CD1-CB 4.12Å; F36-K55 HydrophobicContact CD1-CG 4.08Å; F36-K55 HydrophobicContact CD2-CB 4.38Å; F36-K55 HydrophobicContact CD2-CD 3.54Å; F36-K55 HydrophobicContact CD2-CG 3.82Å; F36-K55 HydrophobicContact CE1-CB 4.06Å; F36-K55 HydrophobicContact CE1-CG 4.43Å; F36-K55 HydrophobicContact CE2-CB 4.33Å; F36-K55 HydrophobicContact CE2-CD 3.79Å; F36-K55 HydrophobicContact CE2-CG 4.19Å; F36-K55 HydrophobicContact CG-CB 4.3Å; F36-K55 HydrophobicContact CG-CD 4.04Å; F36-K55 HydrophobicContact CG-CG 3.78Å; F36-K55 HydrophobicContact CZ-CB 4.17Å; F36-K55 HydrophobicContact CZ-CD 4.46Å; F36-K55 HydrophobicContact CZ-CG 4.49Å; K55-M59 WeakPolarHBondContact O-CG 3.26Å; K55-M59 PolarHBondContact O-N 3.05Å
56	A	94.4	Very high	91	Very high	61 Å²	61	59.3 Å²	59.3	50%	0.504	33%	0.325	S	S	.	.	H	α-helix	trans	-75.1	-39.3	178.1	0	0	0	0	0	110.8	D54 M59 R60	D54-A56 VanDerWaalsContact C-N 3.29Å; D54-A56 PolarHBondContact O-N 2.73Å; D54-A56 WeakPolarHBondContact OD2-CA 3.05Å; D54-A56 VanDerWaalsContact OD2-CB 3.3Å; D54-A56 WeakPolarHBondContact OD2-CB 3.38Å; D54-A56 PolarHBondContact OD2-N 2.72Å; A56-M59 PolarHBondContact O-N 3.31Å; A56-R60 WeakPolarHBondContact O-CG 3.12Å; A56-R60 PolarHBondContact O-N 3.26Å
57	S	94.3	Very high	91.2	Very high	11 Å²	11	59.4 Å²	59.4	8%	0.077	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-41	171.7	-63.4	0	0	0	0	112.7	D54 M59 R60 L61	D54-S57 PolarHBondContact O-N 3.21Å; D54-S57 VanDerWaalsContact O-N 3.16Å; D54-S57 WeakPolarHBondContact OD1-CB 3.35Å; D54-S57 PolarHBondContact OD1-OG 3.08Å; D54-S57 PolarHBondContact OD2-N 3.17Å; S57-M59 PolarHBondContact O-N 3.37Å; S57-R60 PolarHBondContact O-N 3.29Å; S57-R60 PolarHBondContact OG-NH2 3.16Å; S57-L61 VanDerWaalsContact O-CG 3.28Å; S57-L61 WeakPolarHBondContact O-CG 3.32Å; S57-L61 PolarHBondContact O-N 3.43Å
58	V	95.3	Very high	91.4	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.024	29%	0.291	C	S	.	.	H	α-helix	trans	-57.2	-48.5	172.3	176.7	0	0	0	0	110.6	F36 L39 L43 L53 D54 L61 T62	F36-V58 HydrophobicContact CD1-CB 4.47Å; F36-V58 HydrophobicContact CD1-CG1 4.3Å; L39-V58 HydrophobicContact CB-CG1 4.24Å; L39-V58 HydrophobicContact CD2-CG1 3.85Å; L39-V58 HydrophobicContact CG-CG1 3.8Å; L43-V58 HydrophobicContact CD1-CG1 4.36Å; L53-V58 HydrophobicContact CB-CG2 3.86Å; L53-V58 HydrophobicContact CD1-CG2 4.25Å; D54-V58 WeakPolarHBondContact O-CG2 3.43Å; D54-V58 PolarHBondContact O-N 3.46Å; V58-L61 PolarHBondContact O-N 2.72Å; V58-T62 PolarHBondContact O-N 2.86Å; V58-T62 PolarHBondContact O-OG1 3.42Å
59	M	95.6	Very high	91.4	Very high	77 Å²	77	53.3 Å²	53.3	38%	0.379	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-45.6	176.4	-69.1	-56.6	-60.3	0	0	113.3	F36 L39 K55 A56 S57 L61 T62 I63	F36-M59 HydrophobicContact CE1-CG 3.83Å; F36-M59 HydrophobicContact CE1-SD 3.77Å; F36-M59 HydrophobicContact CZ-CG 4.34Å; F36-M59 HydrophobicContact CZ-SD 4.31Å; L39-M59 HydrophobicContact CD2-SD 4.48Å; K55-M59 WeakPolarHBondContact O-CG 3.26Å; K55-M59 PolarHBondContact O-N 3.05Å; A56-M59 PolarHBondContact O-N 3.31Å; S57-M59 PolarHBondContact O-N 3.37Å; M59-L61 PolarHBondContact O-N 3.29Å; M59-T62 PolarHBondContact O-N 3.3Å; M59-I63 HydrophobicContact CB-CD1 4.5Å; M59-I63 HydrophobicContact CE-CD1 4.19Å; M59-I63 WeakPolarHBondContact O-CB 3.37Å; M59-I63 WeakPolarHBondContact O-CD1 3.34Å; M59-I63 VanDerWaalsContact O-CG1 3.31Å; M59-I63 WeakPolarHBondContact O-CG1 3.43Å; M59-I63 PolarHBondContact O-N 3.38Å
60	R	95.5	Very high	91.5	Very high	34 Å²	34	55.5 Å²	55.5	13%	0.128	28%	0.283	C	S	.	.	H	α-helix	trans	-55	-51.2	177.5	-75.5	-171.4	-62.4	115.2	-8.6	111	A56 S57 I63 S64 F126 I129 H131	A56-R60 WeakPolarHBondContact O-CG 3.12Å; A56-R60 PolarHBondContact O-N 3.26Å; S57-R60 PolarHBondContact O-N 3.29Å; S57-R60 PolarHBondContact OG-NH2 3.16Å; R60-I63 PolarHBondContact O-N 2.59Å; R60-S64 WeakPolarHBondContact O-CB 3.46Å; R60-S64 PolarHBondContact O-N 2.94Å; R60-F126 PolarHBondContact NH1-O 3.27Å; R60-F126 PolarHBondContact NH2-O 2.92Å; R60-I129 PolarHBondContact NH1-O 3.44Å; R60-H131 PolarHBondContact NH1-CD2 2.8Å; R60-H131 VanDerWaalsContact NH1-CD2 3.33Å
61	L	94.9	Very high	91.3	Very high	13 Å²	13	55.9 Å²	55.9	7%	0.068	29%	0.285	C	S	.	.	H	α-helix	trans	-65.3	-42.2	-178.6	-64.1	174.8	0	0	0	111.8	L43 I45 L53 S57 V58 M59 Y65 F126 I129	L43-L61 HydrophobicContact CD1-CB 3.84Å; L43-L61 HydrophobicContact CD1-CD1 3.96Å; L43-L61 HydrophobicContact CD2-CB 3.95Å; I45-L61 HydrophobicContact CD1-CD1 4.26Å; L53-L61 HydrophobicContact CD1-CD1 3.58Å; L53-L61 HydrophobicContact CD2-CD1 4.47Å; S57-L61 VanDerWaalsContact O-CG 3.28Å; S57-L61 WeakPolarHBondContact O-CG 3.32Å; S57-L61 PolarHBondContact O-N 3.43Å; V58-L61 PolarHBondContact O-N 2.72Å; M59-L61 PolarHBondContact O-N 3.29Å; L61-Y65 WeakPolarHBondContact O-CB 3.4Å; L61-Y65 PolarHBondContact O-N 2.76Å; L61-F126 HydrophobicContact CD1-CB 4.1Å; L61-F126 HydrophobicContact CD2-CB 4.07Å; L61-I129 HydrophobicContact CD2-CB 3.79Å; L61-I129 HydrophobicContact CD2-CD1 4.46Å; L61-I129 HydrophobicContact CD2-CG2 3.79Å
62	T	95.4	Very high	91	Very high	23 Å²	23	54.4 Å²	54.4	14%	0.141	27%	0.272	C	S	.	.	H	α-helix	trans	-62	-47.9	175.4	-58.4	0	0	0	0	111.7	L39 V58 M59 Y65 L66	L39-T62 HydrophobicContact CD1-CG2 4.14Å; V58-T62 PolarHBondContact O-N 2.86Å; V58-T62 PolarHBondContact O-OG1 3.42Å; M59-T62 PolarHBondContact O-N 3.3Å; T62-Y65 PolarHBondContact O-N 3.34Å; T62-L66 HydrophobicContact CG2-CD1 3.96Å; T62-L66 HydrophobicContact CG2-CG 4.5Å; T62-L66 WeakPolarHBondContact O-CB 3.41Å; T62-L66 VanDerWaalsContact O-CG 3.3Å; T62-L66 WeakPolarHBondContact O-CG 3.37Å; T62-L66 PolarHBondContact O-N 3.01Å
63	I	94.6	Very high	89.9	Confident	79 Å²	79	52.8 Å²	52.8	41%	0.405	27%	0.271	S	S	.	.	H	α-helix	trans	-63.5	-46.4	-179	-70.5	160.9	0	0	0	110.8	M59 R60 L66 R67	M59-I63 HydrophobicContact CB-CD1 4.5Å; M59-I63 HydrophobicContact CE-CD1 4.19Å; M59-I63 WeakPolarHBondContact O-CB 3.37Å; M59-I63 WeakPolarHBondContact O-CD1 3.34Å; M59-I63 VanDerWaalsContact O-CG1 3.31Å; M59-I63 WeakPolarHBondContact O-CG1 3.43Å; M59-I63 PolarHBondContact O-N 3.38Å; R60-I63 PolarHBondContact O-N 2.59Å; I63-L66 PolarHBondContact O-N 3.31Å; I63-R67 WeakPolarHBondContact O-CB 3.38Å; I63-R67 WeakPolarHBondContact O-CG 3.41Å; I63-R67 PolarHBondContact O-N 3.01Å
64	S	94.6	Very high	88.3	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.014	28%	0.279	C	S	.	.	H	α-helix	trans	-65.7	-38.6	177.6	-80.4	0	0	0	0	112.8	R60 R67 M68 I110 I111 G130	R60-S64 WeakPolarHBondContact O-CB 3.46Å; R60-S64 PolarHBondContact O-N 2.94Å; S64-R67 PolarHBondContact O-N 3.18Å; S64-M68 WeakPolarHBondContact O-CB 3.42Å; S64-M68 PolarHBondContact O-N 3.08Å; S64-I110 PolarHBondContact OG-O 3.37Å; S64-I111 WeakPolarHBondContact CB-O 3.44Å; S64-G130 WeakPolarHBondContact OG-CA 3.41Å; S64-G130 PolarHBondContact OG-N 3.09Å
65	Y	92.9	Very high	86.3	Confident	98 Å²	98	53.6 Å²	53.6	38%	0.384	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-44	174.2	-179	-106.4	0	0	0	112.1	P44 L61 T62 M68 Q69	P44-Y65 HydrophobicContact CB-CE2 4.34Å; P44-Y65 HydrophobicContact CG-CD2 3.71Å; P44-Y65 HydrophobicContact CG-CE2 3.68Å; P44-Y65 HydrophobicContact CG-CG 4.42Å; L61-Y65 WeakPolarHBondContact O-CB 3.4Å; L61-Y65 PolarHBondContact O-N 2.76Å; T62-Y65 PolarHBondContact O-N 3.34Å; Y65-M68 PolarHBondContact O-N 3.35Å; Y65-Q69 HydrophobicContact CD1-CG 4.35Å; Y65-Q69 HydrophobicContact CE1-CG 3.97Å; Y65-Q69 HydrophobicContact CE2-CG 4.28Å; Y65-Q69 WeakPolarHBondContact O-CG 3.01Å; Y65-Q69 PolarHBondContact O-N 3.12Å; Y65-Q69 PolarHBondContact OH-NE2 2.84Å
66	L	92.2	Very high	84.1	Confident	110 Å²	110	58.4 Å²	58.4	58%	0.576	30%	0.298	S	S	*	.	H	α-helix	trans	-65.5	-38.4	176.1	-69.2	171.4	0	0	0	112.3	T62 I63 Q69 K70	T62-L66 HydrophobicContact CG2-CD1 3.96Å; T62-L66 HydrophobicContact CG2-CG 4.5Å; T62-L66 WeakPolarHBondContact O-CB 3.41Å; T62-L66 VanDerWaalsContact O-CG 3.3Å; T62-L66 WeakPolarHBondContact O-CG 3.37Å; T62-L66 PolarHBondContact O-N 3.01Å; I63-L66 PolarHBondContact O-N 3.31Å; L66-Q69 PolarHBondContact O-N 2.68Å; L66-K70 PolarHBondContact O-N 3.18Å
67	R	89.9	Confident	81.7	Confident	84 Å²	84	59.9 Å²	59.9	32%	0.317	30%	0.302	S	S	.	.	H	α-helix	trans	-61.9	-43.6	171.4	-77	173.3	167.7	-172.7	-5.2	111.7	I63 S64 K70 L71 D109 I111	I63-R67 WeakPolarHBondContact O-CB 3.38Å; I63-R67 WeakPolarHBondContact O-CG 3.41Å; I63-R67 PolarHBondContact O-N 3.01Å; S64-R67 PolarHBondContact O-N 3.18Å; R67-K70 PolarHBondContact O-N 3.42Å; R67-L71 PolarHBondContact O-N 3.34Å; R67-L71 VanDerWaalsContact O-N 3.1Å; R67-D109 IonicContact CZ-OD2 2.61Å; R67-D109 IonicContact NH1-OD2 2.74Å; R67-D109 PolarHBondContact NH1-OD2 2.81Å; R67-D109 IonicContact NH2-OD2 3.86Å; R67-D109 PolarHBondContact NH2-OD2 3.48Å; R67-I111 HydrophobicContact CB-CG2 3.89Å
68	M	88.7	Confident	79.6	Confident	18 Å²	18	66.6 Å²	66.6	9%	0.089	34%	0.343	C	S	.	.	H	α-helix	trans	-64.7	-43	177.1	-168	64.8	173.7	0	0	111.4	S64 Y65 L71 L72 V103 I111 Y112 L715	S64-M68 WeakPolarHBondContact O-CB 3.42Å; S64-M68 PolarHBondContact O-N 3.08Å; Y65-M68 PolarHBondContact O-N 3.35Å; M68-L71 WeakPolarHBondContact O-CB 3.37Å; M68-L71 PolarHBondContact O-N 2.7Å; M68-L71 VanDerWaalsContact O-N 3.11Å; M68-L72 HydrophobicContact CE-CD1 4.21Å; M68-L72 HydrophobicContact CE-CD2 4.16Å; M68-L72 HydrophobicContact CE-CG 4.36Å; M68-L72 HydrophobicContact CG-CD1 4.11Å; M68-L72 HydrophobicContact CG-CG 4.43Å; M68-L72 WeakPolarHBondContact O-CG 3.23Å; M68-L72 PolarHBondContact O-N 2.84Å; M68-V103 HydrophobicContact CE-CG2 4.26Å; M68-V103 HydrophobicContact SD-CG2 4.48Å; M68-I111 HydrophobicContact CB-CG2 4.04Å; M68-I111 HydrophobicContact SD-CG2 4.3Å; M68-Y112 HydrophobicContact CE-CD1 4.27Å; M68-Y112 HydrophobicContact CE-CD2 4.46Å; M68-Y112 HydrophobicContact CE-CG 3.93Å; M68-Y112 HydrophobicContact SD-CG 4.37Å; M68-L715 HydrophobicContact CE-CD1 3.76Å
69	Q	86.3	Confident	77.3	Confident	68 Å²	68	70.7 Å²	70.7	32%	0.318	38%	0.377	S	S	.	.	H	α-helix	trans	-62.4	-43.3	174.4	-70.9	-68.7	6.7	0	0	112	Y65 L66 L71 L72 C73	Y65-Q69 HydrophobicContact CD1-CG 4.35Å; Y65-Q69 HydrophobicContact CE1-CG 3.97Å; Y65-Q69 HydrophobicContact CE2-CG 4.28Å; Y65-Q69 WeakPolarHBondContact O-CG 3.01Å; Y65-Q69 PolarHBondContact O-N 3.12Å; Y65-Q69 PolarHBondContact OH-NE2 2.84Å; L66-Q69 PolarHBondContact O-N 2.68Å; Q69-L71 PolarHBondContact O-N 3.34Å; Q69-L72 PolarHBondContact O-N 2.88Å; Q69-C73 WeakPolarHBondContact O-CB 3.38Å; Q69-C73 PolarHBondContact O-N 2.92Å; Q69-C73 PolarHBondContact O-SG 2.94Å
70	K	84.8	Confident	75.2	Confident	86 Å²	86	74.8 Å²	74.8	37%	0.374	40%	0.395	S	S	.	.	H	α-helix	trans	-57.4	-34.5	173.2	-169.5	178.9	-176.9	-172.3	0	111.9	L66 R67 I74 H201 E212	L66-K70 PolarHBondContact O-N 3.18Å; R67-K70 PolarHBondContact O-N 3.42Å; K70-I74 WeakPolarHBondContact O-CD1 3.4Å; K70-I74 WeakPolarHBondContact O-CG1 3.37Å; K70-H201 VanDerWaalsContact CE-NE2 3.3Å; K70-H201 WeakPolarHBondContact CE-NE2 3.33Å; K70-E212 VanDerWaalsContact NZ-CD 3.26Å; K70-E212 IonicContact NZ-OE1 2.6Å; K70-E212 PolarHBondContact NZ-OE1 2.9Å; K70-E212 IonicContact NZ-OE2 3.74Å; K70-E212 PolarHBondContact NZ-OE2 3.05Å
71	L	81.6	Confident	73.1	Confident	10 Å²	10	82 Å²	82	5%	0.052	43%	0.43	C	S	.	.	H	α-helix	trans	-73.6	-37.6	178	-175.8	156.7	0	0	0	113.2	R67 M68 Q69 V103 Y217	R67-L71 PolarHBondContact O-N 3.34Å; R67-L71 VanDerWaalsContact O-N 3.1Å; M68-L71 WeakPolarHBondContact O-CB 3.37Å; M68-L71 PolarHBondContact O-N 2.7Å; M68-L71 VanDerWaalsContact O-N 3.11Å; Q69-L71 PolarHBondContact O-N 3.34Å; L71-V103 HydrophobicContact CD1-CG1 3.96Å; L71-Y217 HydrophobicContact CD1-CD1 4.08Å; L71-Y217 HydrophobicContact CD1-CD2 3.6Å; L71-Y217 HydrophobicContact CD1-CE2 4.08Å; L71-Y217 HydrophobicContact CD1-CG 3.58Å; L71-Y217 HydrophobicContact CG-CD2 4.28Å
72	L	77.3	Confident	71.2	Confident	30 Å²	30	84.5 Å²	84.5	16%	0.157	45%	0.446	C	S	.	.	H	α-helix	trans	-84.5	-30.9	-176.6	-61.1	175.4	0	0	0	113.6	M68 Q69 I74 S712	M68-L72 HydrophobicContact CE-CD1 4.21Å; M68-L72 HydrophobicContact CE-CD2 4.16Å; M68-L72 HydrophobicContact CE-CG 4.36Å; M68-L72 HydrophobicContact CG-CD1 4.11Å; M68-L72 HydrophobicContact CG-CG 4.43Å; M68-L72 WeakPolarHBondContact O-CG 3.23Å; M68-L72 PolarHBondContact O-N 2.84Å; Q69-L72 PolarHBondContact O-N 2.88Å; L72-I74 PolarHBondContact O-N 2.93Å; L72-S712 WeakPolarHBondContact CD2-OG 2.96Å
73	C	63.1	Low	70	Confident	103 Å²	103	86.7 Å²	86.7	70%	0.696	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	16.4	-176	-68.3	0	0	0	0	115.7	Q69	Q69-C73 WeakPolarHBondContact O-CB 3.38Å; Q69-C73 PolarHBondContact O-N 2.92Å; Q69-C73 PolarHBondContact O-SG 2.94Å
74	I	55.6	Low	68.8	Low	71 Å²	71	90 Å²	90	36%	0.364	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-24	-173.6	-60.1	158.6	0	0	0	112.1	K70 L72 E76 H201	K70-I74 WeakPolarHBondContact O-CD1 3.4Å; K70-I74 WeakPolarHBondContact O-CG1 3.37Å; L72-I74 PolarHBondContact O-N 2.93Å; I74-E76 PolarHBondContact O-N 3.02Å; I74-H201 HydrophobicContact CD1-CB 4.32Å; I74-H201 WeakPolarHBondContact CD1-ND1 3.42Å
75	D	50.4	Low	67.6	Low	65 Å²	65	96 Å²	96	35%	0.348	50%	0.504	S	S	.	.	S	Bend	trans	-87.6	62.8	-171.3	-68.7	-29.5	0	0	0	114	R199 S708	D75-R199 IonicContact OD1-CZ 3.8Å; D75-R199 IonicContact OD1-NH1 3.64Å; D75-R199 IonicContact OD1-NH2 2.72Å; D75-R199 PolarHBondContact OD1-NH2 2.9Å; D75-R199 IonicContact OD2-CZ 3.27Å; D75-R199 VanDerWaalsContact OD2-CZ 3.27Å; D75-R199 IonicContact OD2-NH1 2.72Å; D75-R199 PolarHBondContact OD2-NH1 2.8Å; D75-R199 IonicContact OD2-NH2 2.73Å; D75-R199 PolarHBondContact OD2-NH2 2.98Å; D75-S708 WeakPolarHBondContact OD2-CB 3.45Å
76	E	48.6	Very low	66.3	Low	179 Å²	179	93.5 Å²	93.5	84%	0.836	50%	0.497	S	S	*	.			trans	62.3	172.5	165.6	-90.9	-85.9	104.5	0	0	115.7	I74	I74-E76 PolarHBondContact O-N 3.02Å
77	P	43.9	Very low	65.2	Low	92 Å²	92	92.4 Å²	92.4	60%	0.597	49%	0.492	S	S	*	.			trans	-84.5	148.2	-162	31.6	-35.6	0	0	0	114.9	A79	P77-A79 PolarHBondContact O-N 2.82Å
78	V	50.6	Low	64.1	Low	153 Å²	153	94.1 Å²	94.1	93%	0.927	50%	0.503	S	S	*	.			trans	-62	100.4	171.8	-179.3	0	0	0	0	110.4
79	A	46.3	Very low	63.3	Low	89 Å²	89	97 Å²	97	74%	0.736	52%	0.519	S	S	*	.			trans	-143.7	4.9	-176.8	0	0	0	0	0	115.7	P77	P77-A79 PolarHBondContact O-N 2.82Å
80	E	51.6	Low	62.5	Low	163 Å²	163	94.5 Å²	94.5	76%	0.762	51%	0.507	S	S	*	.	S	Bend	trans	-114.3	129.2	169.3	-67.4	-166.5	159.3	0	0	110.6	T82	E80-T82 PolarHBondContact O-N 3.4Å; E80-T82 VanDerWaalsContact O-N 3.12Å
81	E	51.6	Low	61.9	Low	186 Å²	186	92.1 Å²	92.1	87%	0.869	51%	0.507	S	S	*	.			trans	-67.3	107.2	175.6	-64.9	-176.1	146.9	0	0	109.1	T83	E81-T83 PolarHBondContact O-N 3.28Å
82	T	54.8	Low	62	Low	66 Å²	66	93.9 Å²	93.9	41%	0.405	52%	0.52	S	S	.	.			trans	-56.7	113.1	172.8	47.4	0	0	0	0	109.3	E80 R713	E80-T82 PolarHBondContact O-N 3.4Å; E80-T82 VanDerWaalsContact O-N 3.12Å; T82-R713 VanDerWaalsContact CG2-CD 3.5Å
83	T	70.6	Confident	62.4	Low	68 Å²	68	95.2 Å²	95.2	42%	0.417	52%	0.524	S	S	.	.			trans	-68.7	158.6	-177.7	70.5	0	0	0	0	110.1	E81 L85 D86 I87	E81-T83 PolarHBondContact O-N 3.28Å; T83-L85 PolarHBondContact O-N 3Å; T83-L85 VanDerWaalsContact O-N 3.15Å; T83-L85 PolarHBondContact OG1-N 2.93Å; T83-D86 VanDerWaalsContact CB-OD2 3.31Å; T83-D86 WeakPolarHBondContact CB-OD2 3.26Å; T83-D86 WeakPolarHBondContact CG2-OD2 3.4Å; T83-D86 PolarHBondContact N-OD2 3.29Å; T83-D86 WeakPolarHBondContact O-CB 3.2Å; T83-D86 PolarHBondContact O-N 3.33Å; T83-D86 PolarHBondContact OG1-N 3.44Å; T83-D86 VanDerWaalsContact OG1-N 3.16Å; T83-D86 PolarHBondContact OG1-OD2 3.27Å; T83-I87 PolarHBondContact O-N 3.34Å; T83-I87 VanDerWaalsContact O-N 3.17Å
84	E	69.3	Low	63.3	Low	149 Å²	149	92.7 Å²	92.7	70%	0.696	50%	0.503	S	S	*	.	H	α-helix	trans	-57.3	-30.8	174.5	-161.7	-171.4	149.9	0	0	111.5	Q88	E84-Q88 VanDerWaalsContact O-CG 3.32Å; E84-Q88 WeakPolarHBondContact O-CG 3.3Å; E84-Q88 PolarHBondContact O-N 2.78Å; E84-Q88 VanDerWaalsContact O-N 3.14Å; E84-Q88 PolarHBondContact OE1-NE2 3.42Å
85	L	68.6	Low	64.8	Low	127 Å²	127	97.5 Å²	97.5	67%	0.665	52%	0.521	S	S	*	.	H	α-helix	trans	-66.2	-43.3	173.5	-62.9	174.6	0	0	0	111.9	T83 I87 Q88 L89	T83-L85 PolarHBondContact O-N 3Å; T83-L85 VanDerWaalsContact O-N 3.15Å; T83-L85 PolarHBondContact OG1-N 2.93Å; L85-I87 VanDerWaalsContact C-N 3.32Å; L85-I87 PolarHBondContact O-N 3.26Å; L85-Q88 PolarHBondContact O-N 3.36Å; L85-L89 VanDerWaalsContact O-CB 3.22Å; L85-L89 WeakPolarHBondContact O-CB 3.46Å; L85-L89 PolarHBondContact O-N 2.69Å
86	D	66.6	Low	66.6	Low	46 Å²	46	98.5 Å²	98.5	25%	0.246	54%	0.538	C	S	.	.	H	α-helix	trans	-62.2	-40.2	177.8	-59.8	-53.4	0	0	0	111.5	T83 L89 N90	T83-D86 VanDerWaalsContact CB-OD2 3.31Å; T83-D86 WeakPolarHBondContact CB-OD2 3.26Å; T83-D86 WeakPolarHBondContact CG2-OD2 3.4Å; T83-D86 PolarHBondContact N-OD2 3.29Å; T83-D86 WeakPolarHBondContact O-CB 3.2Å; T83-D86 PolarHBondContact O-N 3.33Å; T83-D86 PolarHBondContact OG1-N 3.44Å; T83-D86 VanDerWaalsContact OG1-N 3.16Å; T83-D86 PolarHBondContact OG1-OD2 3.27Å; D86-L89 PolarHBondContact O-N 3.44Å; D86-N90 VanDerWaalsContact O-CB 3.25Å; D86-N90 WeakPolarHBondContact O-CB 3.46Å; D86-N90 PolarHBondContact O-N 3.33Å; D86-N90 PolarHBondContact O-ND2 3.09Å; D86-N90 VanDerWaalsContact O-ND2 3.09Å
87	I	68.4	Low	68.6	Low	88 Å²	88	92.1 Å²	92.1	45%	0.451	51%	0.51	S	S	.	.	H	α-helix	trans	-64.9	-43.3	177.8	-61.3	171.9	0	0	0	110.5	T83 L85 G91	T83-I87 PolarHBondContact O-N 3.34Å; T83-I87 VanDerWaalsContact O-N 3.17Å; L85-I87 VanDerWaalsContact C-N 3.32Å; L85-I87 PolarHBondContact O-N 3.26Å; I87-G91 PolarHBondContact O-N 3.48Å; I87-G91 VanDerWaalsContact O-N 3.17Å
88	Q	68	Low	70.7	Confident	119 Å²	119	93 Å²	93	56%	0.556	51%	0.51	S	S	*	.	H	α-helix	trans	-66.7	-39.7	175.5	-68.7	178.1	31.4	0	0	112.3	E84 L85 G91 S92	E84-Q88 VanDerWaalsContact O-CG 3.32Å; E84-Q88 WeakPolarHBondContact O-CG 3.3Å; E84-Q88 PolarHBondContact O-N 2.78Å; E84-Q88 VanDerWaalsContact O-N 3.14Å; E84-Q88 PolarHBondContact OE1-NE2 3.42Å; L85-Q88 PolarHBondContact O-N 3.36Å; Q88-G91 PolarHBondContact O-N 3.06Å; Q88-S92 PolarHBondContact O-N 2.92Å
89	L	71.3	Confident	72.7	Confident	80 Å²	80	85.8 Å²	85.8	42%	0.419	47%	0.466	S	S	.	.	H	α-helix	trans	-69.1	-40.4	179.2	-163.2	71.4	0	0	0	111.7	L85 D86 G91 S92 Y93	L85-L89 VanDerWaalsContact O-CB 3.22Å; L85-L89 WeakPolarHBondContact O-CB 3.46Å; L85-L89 PolarHBondContact O-N 2.69Å; D86-L89 PolarHBondContact O-N 3.44Å; L89-G91 VanDerWaalsContact C-N 3.33Å; L89-G91 PolarHBondContact O-N 3Å; L89-S92 WeakPolarHBondContact O-CA 3.49Å; L89-S92 WeakPolarHBondContact O-CB 3.49Å; L89-S92 PolarHBondContact O-N 3.03Å; L89-S92 PolarHBondContact O-OG 3.11Å; L89-Y93 HydrophobicContact CD2-CE2 4.04Å; L89-Y93 WeakPolarHBondContact CD2-OH 3.45Å; L89-Y93 HydrophobicContact CG-CE2 3.89Å; L89-Y93 WeakPolarHBondContact O-CD2 3.11Å; L89-Y93 PolarHBondContact O-N 2.87Å; L89-Y93 VanDerWaalsContact O-N 3.07Å
90	N	69.9	Low	75	Confident	14 Å²	14	81.5 Å²	81.5	8%	0.075	43%	0.431	C	S	.	.	H	α-helix	trans	-56	-48.1	170.5	-76.3	-29	0	0	0	110.8	D86 S92 Y93 L710 L714	D86-N90 VanDerWaalsContact O-CB 3.25Å; D86-N90 WeakPolarHBondContact O-CB 3.46Å; D86-N90 PolarHBondContact O-N 3.33Å; D86-N90 PolarHBondContact O-ND2 3.09Å; D86-N90 VanDerWaalsContact O-ND2 3.09Å; N90-S92 PolarHBondContact O-N 3.48Å; N90-Y93 PolarHBondContact O-N 2.97Å; N90-L710 VanDerWaalsContact OD1-CD2 3.29Å; N90-L710 WeakPolarHBondContact OD1-CD2 3.37Å; N90-L714 HydrophobicContact CB-CD2 3.87Å; N90-L714 HydrophobicContact CB-CG 4.36Å; N90-L714 WeakPolarHBondContact O-CD2 3.43Å
91	G	72.2	Confident	77.2	Confident	37 Å²	37	76 Å²	76	38%	0.381	41%	0.406	S	S	.	.	H	α-helix	trans	-59.9	-6.1	172.2	0	0	0	0	0	115.5	I87 Q88 L89 K95	I87-G91 PolarHBondContact O-N 3.48Å; I87-G91 VanDerWaalsContact O-N 3.17Å; Q88-G91 PolarHBondContact O-N 3.06Å; L89-G91 VanDerWaalsContact C-N 3.33Å; L89-G91 PolarHBondContact O-N 3Å; G91-K95 VanDerWaalsContact O-CD 3.29Å; G91-K95 WeakPolarHBondContact O-CD 3.36Å; G91-K95 VanDerWaalsContact O-CE 3.24Å; G91-K95 WeakPolarHBondContact O-CE 3.39Å; G91-K95 PolarHBondContact O-NZ 3.35Å
92	S	82.7	Confident	79.3	Confident	46 Å²	46	67.4 Å²	67.4	32%	0.322	37%	0.367	S	S	.	.	H	α-helix	trans	-109.5	-33.4	179.9	82.4	0	0	0	0	114.7	Q88 L89 N90 L94 K95 A96	Q88-S92 PolarHBondContact O-N 2.92Å; L89-S92 WeakPolarHBondContact O-CA 3.49Å; L89-S92 WeakPolarHBondContact O-CB 3.49Å; L89-S92 PolarHBondContact O-N 3.03Å; L89-S92 PolarHBondContact O-OG 3.11Å; N90-S92 PolarHBondContact O-N 3.48Å; S92-L94 PolarHBondContact O-N 3.08Å; S92-K95 CarbonylContact O-C 3.48Å; S92-K95 WeakPolarHBondContact O-CA 3.36Å; S92-K95 WeakPolarHBondContact O-CB 3.39Å; S92-K95 PolarHBondContact O-N 3.06Å; S92-A96 PolarHBondContact O-N 2.86Å
93	Y	85.6	Confident	81.3	Confident	59 Å²	59	64.5 Å²	64.5	23%	0.231	35%	0.348	C	S	.	.	H	α-helix	trans	-55.6	-48.4	-174.3	-77.1	-61.4	0	0	0	112.6	L89 N90 K95 A96 L97 L704 L710 L714	L89-Y93 HydrophobicContact CD2-CE2 4.04Å; L89-Y93 WeakPolarHBondContact CD2-OH 3.45Å; L89-Y93 HydrophobicContact CG-CE2 3.89Å; L89-Y93 WeakPolarHBondContact O-CD2 3.11Å; L89-Y93 PolarHBondContact O-N 2.87Å; L89-Y93 VanDerWaalsContact O-N 3.07Å; N90-Y93 PolarHBondContact O-N 2.97Å; Y93-K95 VanDerWaalsContact C-N 3.25Å; Y93-K95 PolarHBondContact O-N 3.23Å; Y93-A96 PolarHBondContact O-N 3Å; Y93-L97 PolarHBondContact O-N 3.37Å; Y93-L97 VanDerWaalsContact O-N 3.09Å; Y93-L704 HydrophobicContact CE1-CD1 4.19Å; Y93-L710 HydrophobicContact CE2-CD2 4.15Å; Y93-L714 HydrophobicContact CD2-CD2 4.37Å
94	L	83.6	Confident	82.5	Confident	50 Å²	50	61.3 Å²	61.3	26%	0.262	33%	0.329	S	S	.	.	H	α-helix	trans	-66.6	-26.9	178.2	-174.3	60.5	0	0	0	112.5	S92 L97 N116	S92-L94 PolarHBondContact O-N 3.08Å; L94-L97 HydrophobicContact CD1-CD2 4.43Å; L94-N116 HydrophobicContact CD1-CB 4.25Å; L94-N116 WeakPolarHBondContact CD1-ND2 3.5Å; L94-N116 PolarHBondContact O-ND2 3.08Å
95	K	86.3	Confident	83.7	Confident	171 Å²	171	54.6 Å²	54.6	74%	0.743	30%	0.298	S	S	*	.	H	α-helix	trans	-78.4	-26.2	176	-62.5	175.9	-175.3	140	0	112.8	G91 S92 Y93	G91-K95 VanDerWaalsContact O-CD 3.29Å; G91-K95 WeakPolarHBondContact O-CD 3.36Å; G91-K95 VanDerWaalsContact O-CE 3.24Å; G91-K95 WeakPolarHBondContact O-CE 3.39Å; G91-K95 PolarHBondContact O-NZ 3.35Å; S92-K95 CarbonylContact O-C 3.48Å; S92-K95 WeakPolarHBondContact O-CA 3.36Å; S92-K95 WeakPolarHBondContact O-CB 3.39Å; S92-K95 PolarHBondContact O-N 3.06Å; Y93-K95 VanDerWaalsContact C-N 3.25Å; Y93-K95 PolarHBondContact O-N 3.23Å
96	A	88.8	Confident	84.7	Confident	86 Å²	86	53.2 Å²	53.2	71%	0.711	29%	0.289	S	S	*	.	H	α-helix	trans	-82.6	-25.8	176.3	0	0	0	0	0	112.9	S92 Y93 D98	S92-A96 PolarHBondContact O-N 2.86Å; Y93-A96 PolarHBondContact O-N 3Å; A96-D98 PolarHBondContact O-N 3.44Å
97	L	89.3	Confident	85.9	Confident	45 Å²	45	56.7 Å²	56.7	24%	0.236	31%	0.307	C	S	.	.			trans	-70.9	116.6	174.9	-175.5	68.1	0	0	0	110.9	Y93 L94 G99 N116 I221	Y93-L97 PolarHBondContact O-N 3.37Å; Y93-L97 VanDerWaalsContact O-N 3.09Å; L94-L97 HydrophobicContact CD1-CD2 4.43Å; L97-G99 PolarHBondContact O-N 3.21Å; L97-G99 VanDerWaalsContact O-N 3.08Å; L97-N116 PolarHBondContact O-ND2 3.23Å; L97-N116 VanDerWaalsContact O-ND2 3.16Å; L97-I221 HydrophobicContact CD1-CG2 3.84Å; L97-I221 HydrophobicContact CD2-CG2 4.42Å
98	D	87.8	Confident	87.1	Confident	112 Å²	112	52.5 Å²	52.5	60%	0.599	29%	0.286	S	S	*	.	S	Bend	trans	-85	36.4	175.4	-156.7	32	0	0	0	113.2	A96 K119 P224	A96-D98 PolarHBondContact O-N 3.44Å; D98-K119 IonicContact OD1-NZ 3.77Å; D98-K119 PolarHBondContact OD1-NZ 3.29Å; D98-P224 WeakPolarHBondContact O-CD 3.16Å
99	G	93.2	Very high	88.5	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.269	C	S	.	.	S	Bend	trans	-158.8	-163.7	-175.6	0	0	0	0	0	110.1	L97 N116 C222 D223	L97-G99 PolarHBondContact O-N 3.21Å; L97-G99 VanDerWaalsContact O-N 3.08Å; G99-N116 VanDerWaalsContact O-CB 3.23Å; G99-N116 WeakPolarHBondContact O-CB 3.39Å; G99-N116 PolarHBondContact O-ND2 3.01Å; G99-C222 WeakPolarHBondContact CA-O 3.3Å; G99-D223 WeakPolarHBondContact CA-OD1 3.49Å
100	F	95.9	Very high	89.7	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	146.3	-178.7	61.8	-86.5	0	0	0	112.8	V102 I113 S114 N116 V117 C120 L121 M171 L192 C222	F100-V102 HydrophobicContact CD2-CG2 3.62Å; F100-V102 HydrophobicContact CE2-CG2 3.49Å; F100-V102 VanDerWaalsContact CE2-CG2 3.49Å; F100-I113 HydrophobicContact CD2-CD1 3.81Å; F100-I113 HydrophobicContact CD2-CG1 3.84Å; F100-I113 HydrophobicContact CE2-CD1 3.73Å; F100-I113 HydrophobicContact CE2-CG1 4.28Å; F100-S114 WeakPolarHBondContact CA-OG 3.41Å; F100-S114 WeakPolarHBondContact CB-OG 3.35Å; F100-N116 HydrophobicContact CB-CB 3.94Å; F100-V117 HydrophobicContact CB-CB 4.33Å; F100-V117 HydrophobicContact CD1-CG2 4.49Å; F100-V117 HydrophobicContact CD2-CB 4.09Å; F100-V117 HydrophobicContact CD2-CG2 4.11Å; F100-V117 HydrophobicContact CE1-CG2 4.42Å; F100-V117 HydrophobicContact CE2-CG2 4.02Å; F100-V117 HydrophobicContact CG-CB 4.07Å; F100-V117 HydrophobicContact CG-CG2 4.33Å; F100-V117 HydrophobicContact CZ-CG2 4.17Å; F100-C120 HydrophobicContact CD1-CB 3.66Å; F100-C120 HydrophobicContact CE1-CB 3.94Å; F100-L121 HydrophobicContact CE1-CD1 4.06Å; F100-L121 HydrophobicContact CE1-CG 4.11Å; F100-L121 HydrophobicContact CZ-CD1 3.72Å; F100-L121 HydrophobicContact CZ-CG 4.29Å; F100-M171 HydrophobicContact CZ-SD 4.35Å; F100-L192 HydrophobicContact CE1-CD1 4.02Å; F100-L192 HydrophobicContact CE1-CD2 4.1Å; F100-L192 HydrophobicContact CZ-CD1 3.57Å; F100-L192 HydrophobicContact CZ-CD2 4.5Å; F100-C222 HydrophobicContact CD1-CB 4.21Å; F100-C222 WeakPolarHBondContact CD1-O 3.18Å; F100-C222 HydrophobicContact CD2-CB 4.03Å; F100-C222 HydrophobicContact CE1-CB 3.92Å; F100-C222 HydrophobicContact CE2-CB 3.73Å; F100-C222 HydrophobicContact CG-CB 4.27Å; F100-C222 HydrophobicContact CZ-CB 3.69Å; F100-C222 PolarHBondContact N-O 3.06Å; F100-C222 WeakPolarHBondContact O-CB 3.37Å; F100-C222 PolarHBondContact O-N 2.86Å
101	L	95.9	Very high	90.9	Very high	46 Å²	46	44.5 Å²	44.5	24%	0.241	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	141.1	174.8	-168.8	77	0	0	0	110.3	Y112 I113 S114 V219 L220 I221	L101-Y112 HydrophobicContact CD2-CD1 4.33Å; L101-Y112 HydrophobicContact CD2-CE1 4.15Å; L101-I113 CarbonylContact O-C 3.38Å; L101-I113 VanDerWaalsContact O-CA 3.28Å; L101-I113 WeakPolarHBondContact O-CA 3.43Å; L101-I113 WeakPolarHBondContact O-CG1 3.28Å; L101-S114 PolarHBondContact N-OG 2.95Å; L101-S114 PolarHBondContact O-N 3.26Å; L101-V219 HydrophobicContact CD1-CG1 4.15Å; L101-L220 CarbonylContact C-O 3.52Å; L101-L220 WeakPolarHBondContact CA-O 3.46Å; L101-L220 WeakPolarHBondContact CD1-O 3.39Å; L101-I221 HydrophobicContact CD1-CG1 4Å
102	V	96.8	Very high	92.1	Very high	7 Å²	7	44 Å²	44	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.1	173.2	-166.8	0	0	0	0	109.5	F100 L104 Y112 I113 L220 C222	F100-V102 HydrophobicContact CD2-CG2 3.62Å; F100-V102 HydrophobicContact CE2-CG2 3.49Å; F100-V102 VanDerWaalsContact CE2-CG2 3.49Å; V102-L104 HydrophobicContact CG1-CD2 3.67Å; V102-L104 HydrophobicContact CG1-CG 4.02Å; V102-Y112 WeakPolarHBondContact CA-O 3.2Å; V102-I113 HydrophobicContact CG2-CD1 4.11Å; V102-I113 HydrophobicContact CG2-CG1 4.17Å; V102-L220 PolarHBondContact N-O 3.02Å; V102-L220 PolarHBondContact O-N 2.72Å; V102-C222 HydrophobicContact CG2-CB 4.38Å
103	V	96.4	Very high	92.7	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.024	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123	168.5	-175.4	0	0	0	0	109.1	M68 L71 I111 Y112 L218 V219	M68-V103 HydrophobicContact CE-CG2 4.26Å; M68-V103 HydrophobicContact SD-CG2 4.48Å; L71-V103 HydrophobicContact CD1-CG1 3.96Å; V103-I111 HydrophobicContact CG1-CB 4.42Å; V103-I111 PolarHBondContact O-N 3.23Å; V103-Y112 HydrophobicContact CG2-CD1 4.39Å; V103-Y112 PolarHBondContact N-O 3.35Å; V103-Y112 PolarHBondContact O-N 3.19Å; V103-L218 WeakPolarHBondContact CA-O 3.26Å; V103-V219 HydrophobicContact CG1-CG2 4.36Å; V103-V219 HydrophobicContact CG2-CG1 4.44Å; V103-V219 HydrophobicContact CG2-CG2 4.33Å
104	L	96.3	Very high	93.1	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	147	-177.5	-56.8	177.7	0	0	0	111.9	V102 D109 I110 V133 L145 L149 Y217 L218	V102-L104 HydrophobicContact CG1-CD2 3.67Å; V102-L104 HydrophobicContact CG1-CG 4.02Å; L104-D109 CarbonylContact C-O 3.46Å; L104-D109 VanDerWaalsContact CA-O 3.29Å; L104-D109 WeakPolarHBondContact CA-O 3.32Å; L104-I110 HydrophobicContact CD2-CB 4.43Å; L104-I110 HydrophobicContact CD2-CG1 3.85Å; L104-V133 HydrophobicContact CD1-CB 4.42Å; L104-V133 HydrophobicContact CD1-CG1 4.23Å; L104-V133 HydrophobicContact CD1-CG2 4.27Å; L104-V133 HydrophobicContact CD2-CB 3.85Å; L104-V133 HydrophobicContact CD2-CG1 4.33Å; L104-V133 HydrophobicContact CD2-CG2 4.08Å; L104-L145 HydrophobicContact CD1-CD1 4.42Å; L104-L149 HydrophobicContact CB-CD2 3.95Å; L104-L149 HydrophobicContact CD1-CD2 4.04Å; L104-Y217 CarbonylContact O-C 3.57Å; L104-Y217 VanDerWaalsContact O-CA 3.26Å; L104-Y217 WeakPolarHBondContact O-CA 3.33Å; L104-L218 HydrophobicContact CB-CB 4.35Å; L104-L218 PolarHBondContact N-O 2.89Å; L104-L218 PolarHBondContact O-N 2.71Å
105	S	93.4	Very high	93.5	Very high	7 Å²	7	42.8 Å²	42.8	5%	0.049	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	169.6	162.9	72.9	0	0	0	0	112	D107 G108 D109 L149	S105-D107 PolarHBondContact O-N 3.04Å; S105-D107 PolarHBondContact OG-N 3.44Å; S105-G108 WeakPolarHBondContact O-CA 3.31Å; S105-G108 PolarHBondContact O-N 3.01Å; S105-G108 PolarHBondContact OG-N 2.77Å; S105-D109 PolarHBondContact N-O 3.24Å; S105-D109 WeakPolarHBondContact OG-CB 3.42Å; S105-D109 PolarHBondContact OG-N 3.47Å; S105-L149 WeakPolarHBondContact O-CD2 3.46Å
106	E	90.6	Very high	93.8	Very high	99 Å²	99	35.9 Å²	35.9	46%	0.463	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-40.3	168.8	-165.2	167.3	-169.6	0	0	112.8	G108 P216	E106-G108 PolarHBondContact O-N 2.84Å; E106-P216 HydrophobicContact CB-CG 3.91Å; E106-P216 VanDerWaalsContact CD-CG 3.49Å; E106-P216 HydrophobicContact CG-CG 3.83Å; E106-P216 PolarHBondContact N-O 3.32Å; E106-P216 VanDerWaalsContact OE2-CD 3.26Å; E106-P216 WeakPolarHBondContact OE2-CD 3.36Å; E106-P216 WeakPolarHBondContact OE2-CG 3.48Å
107	D	91.9	Very high	94.1	Very high	119 Å²	119	31.8 Å²	31.8	64%	0.636	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-9.5	175.9	-46.4	-80	0	0	0	114.1	S105	S105-D107 PolarHBondContact O-N 3.04Å; S105-D107 PolarHBondContact OG-N 3.44Å
108	G	94.1	Very high	94.3	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.			trans	84	18.8	-175	0	0	0	0	0	115.2	S105 E106 V133	S105-G108 WeakPolarHBondContact O-CA 3.31Å; S105-G108 PolarHBondContact O-N 3.01Å; S105-G108 PolarHBondContact OG-N 2.77Å; E106-G108 PolarHBondContact O-N 2.84Å; G108-V133 WeakPolarHBondContact O-CB 3.47Å; G108-V133 VanDerWaalsContact O-CG1 3.29Å; G108-V133 WeakPolarHBondContact O-CG1 3.39Å; G108-V133 PolarHBondContact O-N 2.88Å
109	D	95.9	Very high	94.4	Very high	40 Å²	40	34.6 Å²	34.6	21%	0.214	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-67.3	132.9	169.6	-72	-28.3	0	0	0	110.2	R67 L104 S105 I111	R67-D109 IonicContact CZ-OD2 2.61Å; R67-D109 IonicContact NH1-OD2 2.74Å; R67-D109 PolarHBondContact NH1-OD2 2.81Å; R67-D109 IonicContact NH2-OD2 3.86Å; R67-D109 PolarHBondContact NH2-OD2 3.48Å; L104-D109 CarbonylContact C-O 3.46Å; L104-D109 VanDerWaalsContact CA-O 3.29Å; L104-D109 WeakPolarHBondContact CA-O 3.32Å; S105-D109 PolarHBondContact N-O 3.24Å; S105-D109 WeakPolarHBondContact OG-CB 3.42Å; S105-D109 PolarHBondContact OG-N 3.47Å; D109-I111 PolarHBondContact O-N 2.98Å
110	I	97.5	Very high	94.4	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	95.9	172.5	-57.8	171.1	0	0	0	108.8	S64 L104 I113 L128 G130 H131 V133 F136	S64-I110 PolarHBondContact OG-O 3.37Å; L104-I110 HydrophobicContact CD2-CB 4.43Å; L104-I110 HydrophobicContact CD2-CG1 3.85Å; I110-I113 HydrophobicContact CG2-CB 4.03Å; I110-I113 HydrophobicContact CG2-CG2 4.28Å; I110-L128 HydrophobicContact CD1-CB 4.3Å; I110-G130 PolarHBondContact O-N 3.37Å; I110-H131 PolarHBondContact N-O 3.45Å; I110-V133 HydrophobicContact CD1-CB 4.46Å; I110-V133 HydrophobicContact CG1-CB 4.1Å; I110-F136 HydrophobicContact CD1-CD2 4.2Å
111	I	95.5	Very high	94.3	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.015	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-45	177.8	-61.4	171.7	0	0	0	110	S64 R67 M68 V103 D109 Y217	S64-I111 WeakPolarHBondContact CB-O 3.44Å; R67-I111 HydrophobicContact CB-CG2 3.89Å; M68-I111 HydrophobicContact CB-CG2 4.04Å; M68-I111 HydrophobicContact SD-CG2 4.3Å; V103-I111 HydrophobicContact CG1-CB 4.42Å; V103-I111 PolarHBondContact O-N 3.23Å; D109-I111 PolarHBondContact O-N 2.98Å; I111-Y217 HydrophobicContact CD1-CD1 3.37Å; I111-Y217 HydrophobicContact CD1-CE1 3.36Å
112	Y	96	Very high	94.2	Very high	28 Å²	28	33.3 Å²	33.3	11%	0.11	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	147.8	176.3	178	-93.6	0	0	0	110.7	M68 L101 V102 V103 S114 L715	M68-Y112 HydrophobicContact CE-CD1 4.27Å; M68-Y112 HydrophobicContact CE-CD2 4.46Å; M68-Y112 HydrophobicContact CE-CG 3.93Å; M68-Y112 HydrophobicContact SD-CG 4.37Å; L101-Y112 HydrophobicContact CD2-CD1 4.33Å; L101-Y112 HydrophobicContact CD2-CE1 4.15Å; V102-Y112 WeakPolarHBondContact CA-O 3.2Å; V103-Y112 HydrophobicContact CG2-CD1 4.39Å; V103-Y112 PolarHBondContact N-O 3.35Å; V103-Y112 PolarHBondContact O-N 3.19Å; Y112-S114 WeakPolarHBondContact OH-CA 3.4Å; Y112-L715 HydrophobicContact CD2-CD1 4.24Å; Y112-L715 HydrophobicContact CE1-CD1 4.29Å; Y112-L715 HydrophobicContact CE1-CD2 4.37Å; Y112-L715 HydrophobicContact CE2-CD1 3.89Å; Y112-L715 HydrophobicContact CE2-CD2 3.94Å; Y112-L715 WeakPolarHBondContact OH-CD2 3.19Å
113	I	96.3	Very high	94.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	142.3	167.1	-167.1	162.7	0	0	0	108.8	F100 L101 V102 I110 V117 Q125 L128 I129	F100-I113 HydrophobicContact CD2-CD1 3.81Å; F100-I113 HydrophobicContact CD2-CG1 3.84Å; F100-I113 HydrophobicContact CE2-CD1 3.73Å; F100-I113 HydrophobicContact CE2-CG1 4.28Å; L101-I113 CarbonylContact O-C 3.38Å; L101-I113 VanDerWaalsContact O-CA 3.28Å; L101-I113 WeakPolarHBondContact O-CA 3.43Å; L101-I113 WeakPolarHBondContact O-CG1 3.28Å; V102-I113 HydrophobicContact CG2-CD1 4.11Å; V102-I113 HydrophobicContact CG2-CG1 4.17Å; I110-I113 HydrophobicContact CG2-CB 4.03Å; I110-I113 HydrophobicContact CG2-CG2 4.28Å; I113-V117 HydrophobicContact CD1-CB 4.01Å; I113-V117 HydrophobicContact CD1-CG1 4.29Å; I113-V117 HydrophobicContact CD1-CG2 3.73Å; I113-V117 HydrophobicContact CG1-CB 4.12Å; I113-V117 HydrophobicContact CG1-CG1 4.26Å; I113-V117 HydrophobicContact CG1-CG2 4.39Å; I113-Q125 HydrophobicContact CG2-CG 3.82Å; I113-Q125 WeakPolarHBondContact O-CG 3.14Å; I113-Q125 PolarHBondContact O-NE2 3.1Å; I113-L128 HydrophobicContact CD1-CD1 3.82Å; I113-L128 HydrophobicContact CG2-CB 4.13Å; I113-I129 HydrophobicContact CG2-CD1 4.4Å; I113-I129 HydrophobicContact CG2-CG1 3.82Å
114	S	94.6	Very high	93.9	Very high	1 Å²	1	34 Å²	34	1%	0.007	17%	0.173	C	C	.	.			trans	-81.2	148.9	-178.3	65.7	0	0	0	0	113.1	F100 L101 Y112 N116 V117	F100-S114 WeakPolarHBondContact CA-OG 3.41Å; F100-S114 WeakPolarHBondContact CB-OG 3.35Å; L101-S114 PolarHBondContact N-OG 2.95Å; L101-S114 PolarHBondContact O-N 3.26Å; Y112-S114 WeakPolarHBondContact OH-CA 3.4Å; S114-N116 PolarHBondContact O-N 3.06Å; S114-V117 WeakPolarHBondContact O-CG1 3.37Å; S114-V117 PolarHBondContact O-N 3.31Å
115	E	91.1	Very high	93.8	Very high	126 Å²	126	35.5 Å²	35.5	59%	0.589	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-29.5	-177.9	-62.4	-171.1	157.9	0	0	114.7	V117 N118	E115-V117 PolarHBondContact O-N 3.36Å; E115-N118 PolarHBondContact O-N 3.47Å
116	N	92.7	Very high	93.7	Very high	26 Å²	26	38 Å²	38	14%	0.139	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-23.2	174.5	-79.8	13.6	0	0	0	114.4	L94 L97 G99 F100 S114 N118 K119 C120	L94-N116 HydrophobicContact CD1-CB 4.25Å; L94-N116 WeakPolarHBondContact CD1-ND2 3.5Å; L94-N116 PolarHBondContact O-ND2 3.08Å; L97-N116 PolarHBondContact O-ND2 3.23Å; L97-N116 VanDerWaalsContact O-ND2 3.16Å; G99-N116 VanDerWaalsContact O-CB 3.23Å; G99-N116 WeakPolarHBondContact O-CB 3.39Å; G99-N116 PolarHBondContact O-ND2 3.01Å; F100-N116 HydrophobicContact CB-CB 3.94Å; S114-N116 PolarHBondContact O-N 3.06Å; N116-N118 PolarHBondContact O-N 3.07Å; N116-K119 WeakPolarHBondContact O-CA 3.04Å; N116-K119 WeakPolarHBondContact O-CB 3.27Å; N116-K119 PolarHBondContact O-N 3.28Å; N116-C120 PolarHBondContact O-N 2.81Å; N116-C120 PolarHBondContact O-SG 3.37Å; N116-C120 VanDerWaalsContact O-SG 3.39Å
117	V	95.1	Very high	93.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-53.8	-27.3	174.9	70.2	0	0	0	0	112.7	F100 I113 S114 E115 C120 L121 G122 L128	F100-V117 HydrophobicContact CB-CB 4.33Å; F100-V117 HydrophobicContact CD1-CG2 4.49Å; F100-V117 HydrophobicContact CD2-CB 4.09Å; F100-V117 HydrophobicContact CD2-CG2 4.11Å; F100-V117 HydrophobicContact CE1-CG2 4.42Å; F100-V117 HydrophobicContact CE2-CG2 4.02Å; F100-V117 HydrophobicContact CG-CB 4.07Å; F100-V117 HydrophobicContact CG-CG2 4.33Å; F100-V117 HydrophobicContact CZ-CG2 4.17Å; I113-V117 HydrophobicContact CD1-CB 4.01Å; I113-V117 HydrophobicContact CD1-CG1 4.29Å; I113-V117 HydrophobicContact CD1-CG2 3.73Å; I113-V117 HydrophobicContact CG1-CB 4.12Å; I113-V117 HydrophobicContact CG1-CG1 4.26Å; I113-V117 HydrophobicContact CG1-CG2 4.39Å; S114-V117 WeakPolarHBondContact O-CG1 3.37Å; S114-V117 PolarHBondContact O-N 3.31Å; E115-V117 PolarHBondContact O-N 3.36Å; V117-C120 PolarHBondContact O-N 3.16Å; V117-L121 HydrophobicContact CG2-CB 4.26Å; V117-L121 HydrophobicContact CG2-CD1 3.93Å; V117-L121 HydrophobicContact CG2-CG 4.33Å; V117-L121 WeakPolarHBondContact O-CA 3.13Å; V117-L121 WeakPolarHBondContact O-CB 3.47Å; V117-L121 PolarHBondContact O-N 2.54Å; V117-G122 PolarHBondContact O-N 3.24Å; V117-L128 HydrophobicContact CB-CD1 4.5Å; V117-L128 HydrophobicContact CG1-CD1 4.06Å; V117-L128 HydrophobicContact CG2-CD1 3.69Å
118	N	92.8	Very high	94	Very high	88 Å²	88	31.5 Å²	31.5	47%	0.471	16%	0.158	S	C	.	.	H	α-helix	trans	-68.5	-42.6	172.8	-166.4	-8.5	0	0	0	112	E115 N116 C120 G122 L123	E115-N118 PolarHBondContact O-N 3.47Å; N116-N118 PolarHBondContact O-N 3.07Å; N118-C120 VanDerWaalsContact C-N 3.34Å; N118-C120 PolarHBondContact O-N 3.48Å; N118-G122 WeakPolarHBondContact O-CA 3.48Å; N118-G122 PolarHBondContact O-N 3.39Å; N118-L123 WeakPolarHBondContact CA-O 3.42Å; N118-L123 PolarHBondContact N-O 2.89Å
119	K	91.6	Very high	94.1	Very high	128 Å²	128	32.2 Å²	32.2	56%	0.557	16%	0.162	S	C	*	.	H	α-helix	trans	-63.8	-37.9	173.3	-173.3	-159	177	-162.9	0	111.9	D98 N116 L175	D98-K119 IonicContact OD1-NZ 3.77Å; D98-K119 PolarHBondContact OD1-NZ 3.29Å; N116-K119 WeakPolarHBondContact O-CA 3.04Å; N116-K119 WeakPolarHBondContact O-CB 3.27Å; N116-K119 PolarHBondContact O-N 3.28Å; K119-L175 WeakPolarHBondContact O-CD1 3.44Å
120	C	92.1	Very high	94	Very high	10 Å²	10	31.2 Å²	31.2	7%	0.068	16%	0.161	C	C	.	.	H	α-helix	trans	-87.5	-36.9	-172.4	-59.3	0	0	0	0	114.1	F100 N116 V117 N118 P224	F100-C120 HydrophobicContact CD1-CB 3.66Å; F100-C120 HydrophobicContact CE1-CB 3.94Å; N116-C120 PolarHBondContact O-N 2.81Å; N116-C120 PolarHBondContact O-SG 3.37Å; N116-C120 VanDerWaalsContact O-SG 3.39Å; V117-C120 PolarHBondContact O-N 3.16Å; N118-C120 VanDerWaalsContact C-N 3.34Å; N118-C120 PolarHBondContact O-N 3.48Å; C120-P224 HydrophobicContact CB-CG 4Å
121	L	94.7	Very high	94	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-125.9	-14.6	-174.1	-64.4	-178	0	0	0	114.5	F100 V117 L123 M171 C173 T174 L175 K190 L192	F100-L121 HydrophobicContact CE1-CD1 4.06Å; F100-L121 HydrophobicContact CE1-CG 4.11Å; F100-L121 HydrophobicContact CZ-CD1 3.72Å; F100-L121 HydrophobicContact CZ-CG 4.29Å; V117-L121 HydrophobicContact CG2-CB 4.26Å; V117-L121 HydrophobicContact CG2-CD1 3.93Å; V117-L121 HydrophobicContact CG2-CG 4.33Å; V117-L121 WeakPolarHBondContact O-CA 3.13Å; V117-L121 WeakPolarHBondContact O-CB 3.47Å; V117-L121 PolarHBondContact O-N 2.54Å; L121-L123 VanDerWaalsContact C-N 3.28Å; L121-L123 HydrophobicContact CB-CG 4.44Å; L121-L123 PolarHBondContact O-N 3.39Å; L121-M171 HydrophobicContact CD1-CB 4.06Å; L121-M171 HydrophobicContact CD1-SD 4.45Å; L121-C173 HydrophobicContact CD2-CB 3.92Å; L121-C173 CarbonylContact O-C 3.44Å; L121-C173 WeakPolarHBondContact O-CA 3.23Å; L121-C173 PolarHBondContact O-SG 3.43Å; L121-T174 PolarHBondContact O-N 3.4Å; L121-T174 PolarHBondContact O-OG1 2.99Å; L121-T174 VanDerWaalsContact O-OG1 3.07Å; L121-L175 PolarHBondContact O-N 3.37Å; L121-K190 HydrophobicContact CD2-CB 3.86Å; L121-K190 HydrophobicContact CD2-CG 3.91Å; L121-L192 HydrophobicContact CD2-CD2 4.28Å
122	G	93.6	Very high	94.1	Very high	9 Å²	9	36.5 Å²	36.5	9%	0.093	19%	0.188	C	C	.	.	S	Bend	trans	76.5	10.7	-178.2	0	0	0	0	0	115	V117 N118 T174	V117-G122 PolarHBondContact O-N 3.24Å; N118-G122 WeakPolarHBondContact O-CA 3.48Å; N118-G122 PolarHBondContact O-N 3.39Å; G122-T174 VanDerWaalsContact CA-OG1 3.32Å; G122-T174 WeakPolarHBondContact CA-OG1 3.3Å; G122-T174 PolarHBondContact O-OG1 3.33Å
123	L	93.6	Very high	94.2	Very high	8 Å²	8	35.4 Å²	35.4	4%	0.042	18%	0.184	C	C	.	.			trans	-97.9	142.1	177.3	-62	176.4	0	0	0	109.2	N118 L121 L128 F136 K172 T174 V184	N118-L123 WeakPolarHBondContact CA-O 3.42Å; N118-L123 PolarHBondContact N-O 2.89Å; L121-L123 VanDerWaalsContact C-N 3.28Å; L121-L123 HydrophobicContact CB-CG 4.44Å; L121-L123 PolarHBondContact O-N 3.39Å; L123-L128 HydrophobicContact CB-CD1 4.01Å; L123-L128 HydrophobicContact CB-CD2 4.47Å; L123-L128 HydrophobicContact CB-CG 4.39Å; L123-L128 HydrophobicContact CD1-CD2 4.09Å; L123-F136 HydrophobicContact CD1-CD1 4.25Å; L123-K172 WeakPolarHBondContact CD1-O 3.46Å; L123-T174 HydrophobicContact CD2-CG2 3.67Å; L123-V184 HydrophobicContact CD2-CG2 3.94Å
124	A	92.8	Very high	94.2	Very high	18 Å²	18	36.9 Å²	36.9	15%	0.149	19%	0.191	C	C	.	.			trans	-78	145.6	177.5	0	0	0	0	0	111.1	F126 D127	A124-F126 VanDerWaalsContact C-N 3.33Å; A124-F126 HydrophobicContact CB-CD1 4.28Å; A124-F126 HydrophobicContact CB-CD2 4.31Å; A124-F126 HydrophobicContact CB-CE1 3.8Å; A124-F126 HydrophobicContact CB-CE2 3.82Å; A124-F126 HydrophobicContact CB-CZ 3.55Å; A124-F126 PolarHBondContact O-N 3.47Å; A124-D127 HydrophobicContact CB-CB 4.39Å; A124-D127 WeakPolarHBondContact CB-OD2 3.44Å; A124-D127 WeakPolarHBondContact O-CB 3.11Å; A124-D127 PolarHBondContact O-N 3.08Å; A124-D127 VanDerWaalsContact O-N 3.14Å
125	Q	93.8	Very high	94.3	Very high	32 Å²	32	41.1 Å²	41.1	15%	0.15	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-55.6	-45.6	-178.5	-167	-158.9	24.7	0	0	112.5	I113 D127 L128 I129	I113-Q125 HydrophobicContact CG2-CG 3.82Å; I113-Q125 WeakPolarHBondContact O-CG 3.14Å; I113-Q125 PolarHBondContact O-NE2 3.1Å; Q125-D127 VanDerWaalsContact C-N 3.31Å; Q125-D127 PolarHBondContact O-N 3.3Å; Q125-L128 PolarHBondContact O-N 3.31Å; Q125-L128 VanDerWaalsContact O-N 3.15Å; Q125-I129 HydrophobicContact CG-CD1 3.86Å; Q125-I129 HydrophobicContact CG-CG1 4.5Å; Q125-I129 WeakPolarHBondContact O-CG1 3.41Å; Q125-I129 PolarHBondContact O-N 3.07Å; Q125-I129 VanDerWaalsContact O-N 3.13Å
126	F	91.7	Very high	94.6	Very high	59 Å²	59	36.2 Å²	36.2	26%	0.259	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-72.7	-19.7	-178.9	52.7	-100.1	0	0	0	114.2	T49 L53 R60 L61 A124 L128	T49-F126 HydrophobicContact CG2-CD1 3.77Å; T49-F126 HydrophobicContact CG2-CE1 3.57Å; T49-F126 HydrophobicContact CG2-CE2 4.46Å; T49-F126 HydrophobicContact CG2-CG 4.31Å; T49-F126 HydrophobicContact CG2-CZ 3.94Å; L53-F126 HydrophobicContact CD2-CD2 4.39Å; R60-F126 PolarHBondContact NH1-O 3.27Å; R60-F126 PolarHBondContact NH2-O 2.92Å; L61-F126 HydrophobicContact CD1-CB 4.1Å; L61-F126 HydrophobicContact CD2-CB 4.07Å; A124-F126 VanDerWaalsContact C-N 3.33Å; A124-F126 HydrophobicContact CB-CD1 4.28Å; A124-F126 HydrophobicContact CB-CD2 4.31Å; A124-F126 HydrophobicContact CB-CE1 3.8Å; A124-F126 HydrophobicContact CB-CE2 3.82Å; A124-F126 HydrophobicContact CB-CZ 3.55Å; A124-F126 PolarHBondContact O-N 3.47Å; F126-L128 PolarHBondContact O-N 3.43Å
127	D	92.3	Very high	94.8	Very high	81 Å²	81	35.1 Å²	35.1	43%	0.433	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-75.7	-10.2	172.1	-66.8	-21.9	0	0	0	112.1	A124 Q125 H131	A124-D127 HydrophobicContact CB-CB 4.39Å; A124-D127 WeakPolarHBondContact CB-OD2 3.44Å; A124-D127 WeakPolarHBondContact O-CB 3.11Å; A124-D127 PolarHBondContact O-N 3.08Å; A124-D127 VanDerWaalsContact O-N 3.14Å; Q125-D127 VanDerWaalsContact C-N 3.31Å; Q125-D127 PolarHBondContact O-N 3.3Å; D127-H131 PolarHBondContact O-CD2 2.76Å
128	L	95.4	Very high	94.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-40.4	-176.5	-62.1	178.1	0	0	0	113.3	I110 I113 V117 L123 Q125 F126 G130 H131 F136	I110-L128 HydrophobicContact CD1-CB 4.3Å; I113-L128 HydrophobicContact CD1-CD1 3.82Å; I113-L128 HydrophobicContact CG2-CB 4.13Å; V117-L128 HydrophobicContact CB-CD1 4.5Å; V117-L128 HydrophobicContact CG1-CD1 4.06Å; V117-L128 HydrophobicContact CG2-CD1 3.69Å; L123-L128 HydrophobicContact CB-CD1 4.01Å; L123-L128 HydrophobicContact CB-CD2 4.47Å; L123-L128 HydrophobicContact CB-CG 4.39Å; L123-L128 HydrophobicContact CD1-CD2 4.09Å; Q125-L128 PolarHBondContact O-N 3.31Å; Q125-L128 VanDerWaalsContact O-N 3.15Å; F126-L128 PolarHBondContact O-N 3.43Å; L128-G130 PolarHBondContact O-N 3.07Å; L128-H131 PolarHBondContact O-N 2.86Å; L128-F136 HydrophobicContact CD2-CD1 3.55Å; L128-F136 HydrophobicContact CD2-CD2 3.95Å; L128-F136 HydrophobicContact CD2-CE1 3.35Å; L128-F136 HydrophobicContact CD2-CE2 3.76Å; L128-F136 HydrophobicContact CD2-CG 3.85Å; L128-F136 HydrophobicContact CD2-CZ 3.47Å; L128-F136 VanDerWaalsContact CD2-CZ 3.47Å
129	I	96.6	Very high	95.1	Very high	16 Å²	16	36.7 Å²	36.7	8%	0.082	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	127.6	-177.4	-69.1	174.8	0	0	0	111.4	R60 L61 I113 Q125	R60-I129 PolarHBondContact NH1-O 3.44Å; L61-I129 HydrophobicContact CD2-CB 3.79Å; L61-I129 HydrophobicContact CD2-CD1 4.46Å; L61-I129 HydrophobicContact CD2-CG2 3.79Å; I113-I129 HydrophobicContact CG2-CD1 4.4Å; I113-I129 HydrophobicContact CG2-CG1 3.82Å; Q125-I129 HydrophobicContact CG-CD1 3.86Å; Q125-I129 HydrophobicContact CG-CG1 4.5Å; Q125-I129 WeakPolarHBondContact O-CG1 3.41Å; Q125-I129 PolarHBondContact O-N 3.07Å; Q125-I129 VanDerWaalsContact O-N 3.13Å
130	G	94.7	Very high	95.3	Very high	19 Å²	19	35.3 Å²	35.3	20%	0.196	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	15.4	179.1	0	0	0	0	0	114.6	S64 I110 L128	S64-G130 WeakPolarHBondContact OG-CA 3.41Å; S64-G130 PolarHBondContact OG-N 3.09Å; I110-G130 PolarHBondContact O-N 3.37Å; L128-G130 PolarHBondContact O-N 3.07Å
131	H	96.9	Very high	95.6	Very high	88 Å²	88	35 Å²	35	41%	0.407	20%	0.199	S	C	.	.	S	Bend	trans	-107.3	165.4	163.5	-76.2	-63.8	0	0	0	110.9	R60 I110 D127 L128 F136	R60-H131 PolarHBondContact NH1-CD2 2.8Å; R60-H131 VanDerWaalsContact NH1-CD2 3.33Å; I110-H131 PolarHBondContact N-O 3.45Å; D127-H131 PolarHBondContact O-CD2 2.76Å; L128-H131 PolarHBondContact O-N 2.86Å; H131-F136 HydrophobicContact CB-CE2 3.8Å; H131-F136 HydrophobicContact CB-CZ 4.44Å
132	S	97.3	Very high	95.7	Very high	27 Å²	27	37.5 Å²	37.5	19%	0.189	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-74	135.5	175.3	-172.9	0	0	0	0	111.2	F134 D135 F136	S132-F134 PolarHBondContact O-N 3.43Å; S132-F134 VanDerWaalsContact OG-CD2 3.32Å; S132-F134 WeakPolarHBondContact OG-CD2 3.33Å; S132-F134 PolarHBondContact OG-N 3.26Å; S132-D135 WeakPolarHBondContact O-CB 3.05Å; S132-D135 PolarHBondContact O-N 2.81Å; S132-D135 VanDerWaalsContact O-N 3.16Å; S132-F136 WeakPolarHBondContact O-CD2 3.44Å
133	V	97.5	Very high	95.7	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.024	23%	0.231	C	C	.	.	H	α-helix	trans	-58.8	-28.1	172.7	70.9	0	0	0	0	112.2	L104 G108 I110 D135 F136 T137 L145 M171	L104-V133 HydrophobicContact CD1-CB 4.42Å; L104-V133 HydrophobicContact CD1-CG1 4.23Å; L104-V133 HydrophobicContact CD1-CG2 4.27Å; L104-V133 HydrophobicContact CD2-CB 3.85Å; L104-V133 HydrophobicContact CD2-CG1 4.33Å; L104-V133 HydrophobicContact CD2-CG2 4.08Å; G108-V133 WeakPolarHBondContact O-CB 3.47Å; G108-V133 VanDerWaalsContact O-CG1 3.29Å; G108-V133 WeakPolarHBondContact O-CG1 3.39Å; G108-V133 PolarHBondContact O-N 2.88Å; I110-V133 HydrophobicContact CD1-CB 4.46Å; I110-V133 HydrophobicContact CG1-CB 4.1Å; V133-D135 VanDerWaalsContact C-N 3.28Å; V133-D135 PolarHBondContact O-N 3.31Å; V133-F136 PolarHBondContact O-N 3.32Å; V133-F136 VanDerWaalsContact O-N 3.15Å; V133-T137 WeakPolarHBondContact O-CB 3.31Å; V133-T137 PolarHBondContact O-N 2.95Å; V133-T137 VanDerWaalsContact O-N 3.11Å; V133-T137 PolarHBondContact O-OG1 3.36Å; V133-L145 HydrophobicContact CB-CD2 4.38Å; V133-L145 HydrophobicContact CG1-CD2 3.56Å; V133-L145 HydrophobicContact CG1-CG 4.47Å; V133-L145 HydrophobicContact CG2-CD2 3.91Å; V133-M171 HydrophobicContact CG2-CE 4.4Å
134	F	97.6	Very high	95.8	Very high	32 Å²	32	44.4 Å²	44.4	14%	0.14	24%	0.24	C	C	.	.	H	α-helix	trans	-65.9	-30.2	179.5	-59.9	-60.4	0	0	0	112.2	S132 F136 T137 Q142 L145 R146 L149	S132-F134 PolarHBondContact O-N 3.43Å; S132-F134 VanDerWaalsContact OG-CD2 3.32Å; S132-F134 WeakPolarHBondContact OG-CD2 3.33Å; S132-F134 PolarHBondContact OG-N 3.26Å; F134-F136 PolarHBondContact O-N 2.88Å; F134-T137 PolarHBondContact O-N 3.08Å; F134-Q142 HydrophobicContact CB-CG 4.47Å; F134-Q142 HydrophobicContact CD1-CB 3.91Å; F134-Q142 HydrophobicContact CD1-CG 3.95Å; F134-Q142 HydrophobicContact CE1-CB 4.37Å; F134-Q142 WeakPolarHBondContact CE1-O 3.39Å; F134-Q142 PolarHBondContact O-NE2 2.83Å; F134-L145 HydrophobicContact CD1-CD2 4.18Å; F134-L145 HydrophobicContact CE1-CB 4.18Å; F134-L145 HydrophobicContact CE1-CD2 3.95Å; F134-L145 HydrophobicContact CE1-CG 4Å; F134-R146 HydrophobicContact CZ-CB 4.3Å; F134-L149 HydrophobicContact CZ-CD1 3.89Å
135	D	96.6	Very high	95.9	Very high	90 Å²	90	43.5 Å²	43.5	48%	0.481	23%	0.233	S	C	.	.	H	α-helix	trans	-64.4	-26.3	175.3	-70.1	-43.6	0	0	0	112.7	S132 V133 K172	S132-D135 WeakPolarHBondContact O-CB 3.05Å; S132-D135 PolarHBondContact O-N 2.81Å; S132-D135 VanDerWaalsContact O-N 3.16Å; V133-D135 VanDerWaalsContact C-N 3.28Å; V133-D135 PolarHBondContact O-N 3.31Å; D135-K172 WeakPolarHBondContact O-CE 3.42Å; D135-K172 PolarHBondContact O-NZ 3Å
136	F	96.8	Very high	95.9	Very high	24 Å²	24	46.9 Å²	46.9	11%	0.105	24%	0.244	C	C	.	.	H	α-helix	trans	-103.1	-7.1	-179.6	-57.9	-81.6	0	0	0	113.3	I110 L123 L128 H131 S132 V133 F134 M171 K172	I110-F136 HydrophobicContact CD1-CD2 4.2Å; L123-F136 HydrophobicContact CD1-CD1 4.25Å; L128-F136 HydrophobicContact CD2-CD1 3.55Å; L128-F136 HydrophobicContact CD2-CD2 3.95Å; L128-F136 HydrophobicContact CD2-CE1 3.35Å; L128-F136 HydrophobicContact CD2-CE2 3.76Å; L128-F136 HydrophobicContact CD2-CG 3.85Å; L128-F136 HydrophobicContact CD2-CZ 3.47Å; L128-F136 VanDerWaalsContact CD2-CZ 3.47Å; H131-F136 HydrophobicContact CB-CE2 3.8Å; H131-F136 HydrophobicContact CB-CZ 4.44Å; S132-F136 WeakPolarHBondContact O-CD2 3.44Å; V133-F136 PolarHBondContact O-N 3.32Å; V133-F136 VanDerWaalsContact O-N 3.15Å; F134-F136 PolarHBondContact O-N 2.88Å; F136-M171 HydrophobicContact CB-CE 3.84Å; F136-M171 CarbonylContact O-C 3.51Å; F136-M171 VanDerWaalsContact O-CA 3.26Å; F136-M171 WeakPolarHBondContact O-CA 3.25Å; F136-K172 HydrophobicContact CD1-CD 4.49Å; F136-K172 PolarHBondContact O-N 3.41Å
137	T	97.8	Very high	96	Very high	3 Å²	3	50.8 Å²	50.8	2%	0.018	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-93.5	146.8	-177.7	-64.5	0	0	0	0	111.5	V133 F134 D141 Q142 L145 L169 R170	V133-T137 WeakPolarHBondContact O-CB 3.31Å; V133-T137 PolarHBondContact O-N 2.95Å; V133-T137 VanDerWaalsContact O-N 3.11Å; V133-T137 PolarHBondContact O-OG1 3.36Å; F134-T137 PolarHBondContact O-N 3.08Å; T137-D141 HydrophobicContact CG2-CB 4.06Å; T137-Q142 HydrophobicContact CG2-CG 3.93Å; T137-L145 HydrophobicContact CG2-CD2 4.36Å; T137-L169 HydrophobicContact CG2-CD1 3.55Å; T137-L169 HydrophobicContact CG2-CG 4.33Å; T137-R170 WeakPolarHBondContact CA-O 3.44Å
138	H	97.4	Very high	96	Very high	37 Å²	37	49 Å²	49	17%	0.171	25%	0.253	C	S	.	.			trans	-65	131.4	173.5	-177.3	-89.9	0	0	0	110.8	C140 D141 R170 W189	H138-C140 VanDerWaalsContact C-N 3.3Å; H138-C140 VanDerWaalsContact CE1-SG 3.58Å; H138-C140 PolarHBondContact ND1-N 2.98Å; H138-C140 PolarHBondContact O-N 2.82Å; H138-C140 VanDerWaalsContact O-N 3.09Å; H138-D141 PolarHBondContact O-N 2.95Å; H138-R170 HydrophobicContact CB-CB 3.6Å; H138-R170 PolarHBondContact N-O 2.76Å; H138-W189 VanDerWaalsContact CA-CZ3 3.5Å; H138-W189 HydrophobicContact CB-CD2 4.16Å; H138-W189 HydrophobicContact CB-CE3 3.85Å; H138-W189 HydrophobicContact CB-CH2 4.29Å; H138-W189 HydrophobicContact CB-CZ3 3.92Å; H138-W189 AromaticContact CD2-CD1 3.93Å; H138-W189 AromaticContact CD2-CD2 3.78Å; H138-W189 AromaticContact CD2-CE2 3.62Å; H138-W189 AromaticContact CD2-CG 3.98Å; H138-W189 AromaticContact CD2-NE1 3.71Å; H138-W189 VanDerWaalsContact N-CZ3 3.3Å
139	P	97	Very high	95.7	Very high	83 Å²	83	49.1 Å²	49.1	54%	0.539	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-50.2	-43	-173	-32.1	36.9	0	0	0	115	D141 Q142	P139-D141 PolarHBondContact O-N 2.81Å; P139-Q142 WeakPolarHBondContact O-CB 3.34Å; P139-Q142 PolarHBondContact O-N 2.83Å; P139-Q142 VanDerWaalsContact O-N 3.16Å
140	C	96.2	Very high	95.2	Very high	100 Å²	100	51.3 Å²	51.3	68%	0.676	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-70.1	-8.9	179.7	-49.3	0	0	0	0	115.1	H138	H138-C140 VanDerWaalsContact C-N 3.3Å; H138-C140 VanDerWaalsContact CE1-SG 3.58Å; H138-C140 PolarHBondContact ND1-N 2.98Å; H138-C140 PolarHBondContact O-N 2.82Å; H138-C140 VanDerWaalsContact O-N 3.09Å
141	D	96.9	Very high	94.4	Very high	3 Å²	3	54 Å²	54	2%	0.016	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-101	-6	174.5	-61.1	-27.7	0	0	0	112.4	T137 H138 P139 E143 E144 L145 L169 R170 K295	T137-D141 HydrophobicContact CG2-CB 4.06Å; H138-D141 PolarHBondContact O-N 2.95Å; P139-D141 PolarHBondContact O-N 2.81Å; D141-E143 VanDerWaalsContact C-N 3.34Å; D141-E143 PolarHBondContact O-N 2.9Å; D141-E144 PolarHBondContact O-N 2.72Å; D141-L145 PolarHBondContact O-N 3.24Å; D141-L169 HydrophobicContact CB-CD1 3.97Å; D141-R170 IonicContact OD1-CZ 2.69Å; D141-R170 IonicContact OD1-NE 3.46Å; D141-R170 IonicContact OD1-NH2 3.27Å; D141-R170 PolarHBondContact OD1-NH2 2.8Å; D141-R170 VanDerWaalsContact OD2-CB 3.23Å; D141-R170 WeakPolarHBondContact OD2-CB 3.32Å; D141-R170 WeakPolarHBondContact OD2-CG 3.15Å; D141-R170 IonicContact OD2-CZ 2.93Å; D141-R170 PolarHBondContact OD2-N 3.48Å; D141-R170 IonicContact OD2-NE 2.68Å; D141-R170 PolarHBondContact OD2-NE 3.35Å; D141-R170 IonicContact OD2-NH2 2.91Å; D141-K295 VanDerWaalsContact CG-NZ 3.32Å; D141-K295 IonicContact OD1-NZ 2.92Å; D141-K295 PolarHBondContact OD1-NZ 2.89Å; D141-K295 IonicContact OD2-NZ 2.7Å
142	Q	96.4	Very high	93.1	Very high	54 Å²	54	59.5 Å²	59.5	25%	0.252	29%	0.29	S	S	.	.	H	α-helix	trans	-67.9	-30.8	-174.2	-66.7	-179	-16.6	0	0	113.1	F134 T137 P139 R146	F134-Q142 HydrophobicContact CB-CG 4.47Å; F134-Q142 HydrophobicContact CD1-CB 3.91Å; F134-Q142 HydrophobicContact CD1-CG 3.95Å; F134-Q142 HydrophobicContact CE1-CB 4.37Å; F134-Q142 WeakPolarHBondContact CE1-O 3.39Å; F134-Q142 PolarHBondContact O-NE2 2.83Å; T137-Q142 HydrophobicContact CG2-CG 3.93Å; P139-Q142 WeakPolarHBondContact O-CB 3.34Å; P139-Q142 PolarHBondContact O-N 2.83Å; P139-Q142 VanDerWaalsContact O-N 3.16Å; Q142-R146 WeakPolarHBondContact O-CB 3.22Å; Q142-R146 PolarHBondContact O-N 2.96Å
143	E	95.3	Very high	91.3	Very high	110 Å²	110	62.9 Å²	62.9	51%	0.514	31%	0.314	S	S	.	.	H	α-helix	trans	-71.9	-45.6	176.9	-155.2	63.3	-121.8	0	0	111.4	D141 L145 R146 E147	D141-E143 VanDerWaalsContact C-N 3.34Å; D141-E143 PolarHBondContact O-N 2.9Å; E143-L145 VanDerWaalsContact C-N 3.31Å; E143-L145 PolarHBondContact O-N 2.95Å; E143-R146 WeakPolarHBondContact O-CB 3.47Å; E143-R146 PolarHBondContact O-N 2.93Å; E143-R146 IonicContact OE1-CZ 2.68Å; E143-R146 IonicContact OE1-NH1 3.92Å; E143-R146 PolarHBondContact OE1-NH1 2.8Å; E143-R146 IonicContact OE2-CZ 3.73Å; E143-R146 IonicContact OE2-NH1 3.84Å; E143-R146 PolarHBondContact OE2-NH1 3Å; E143-E147 PolarHBondContact O-N 2.93Å
144	E	94.5	Very high	89.3	Confident	51 Å²	51	65 Å²	65	24%	0.238	34%	0.336	C	S	.	.	H	α-helix	trans	-57.1	-44.5	174.4	-175.9	-178.8	150.8	0	0	111	D141 R146 E147 M148 K295	D141-E144 PolarHBondContact O-N 2.72Å; E144-R146 PolarHBondContact O-N 2.96Å; E144-E147 PolarHBondContact O-N 3.17Å; E144-M148 VanDerWaalsContact O-CG 3.3Å; E144-M148 WeakPolarHBondContact O-CG 3.49Å; E144-M148 PolarHBondContact O-N 3.49Å; E144-M148 VanDerWaalsContact O-N 3.08Å; E144-K295 VanDerWaalsContact CD-NZ 3.29Å; E144-K295 IonicContact OE1-NZ 3.58Å; E144-K295 PolarHBondContact OE1-NZ 2.91Å; E144-K295 VanDerWaalsContact OE2-CE 3.3Å; E144-K295 WeakPolarHBondContact OE2-CE 3.16Å; E144-K295 IonicContact OE2-NZ 3.26Å; E144-K295 PolarHBondContact OE2-NZ 2.94Å
145	L	95.4	Very high	86.8	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-64.3	-37.7	174.9	-180	57.9	0	0	0	112.5	L104 V133 F134 T137 D141 E143 M148 L149 F167 L169	L104-L145 HydrophobicContact CD1-CD1 4.42Å; V133-L145 HydrophobicContact CB-CD2 4.38Å; V133-L145 HydrophobicContact CG1-CD2 3.56Å; V133-L145 HydrophobicContact CG1-CG 4.47Å; V133-L145 HydrophobicContact CG2-CD2 3.91Å; F134-L145 HydrophobicContact CD1-CD2 4.18Å; F134-L145 HydrophobicContact CE1-CB 4.18Å; F134-L145 HydrophobicContact CE1-CD2 3.95Å; F134-L145 HydrophobicContact CE1-CG 4Å; T137-L145 HydrophobicContact CG2-CD2 4.36Å; D141-L145 PolarHBondContact O-N 3.24Å; E143-L145 VanDerWaalsContact C-N 3.31Å; E143-L145 PolarHBondContact O-N 2.95Å; L145-M148 PolarHBondContact O-N 3.02Å; L145-L149 HydrophobicContact CG-CD1 4.47Å; L145-L149 WeakPolarHBondContact O-CG 3.16Å; L145-L149 PolarHBondContact O-N 3.07Å; L145-L149 VanDerWaalsContact O-N 3.08Å; L145-F167 HydrophobicContact CD1-CE2 3.85Å; L145-F167 HydrophobicContact CD1-CZ 3.73Å; L145-L169 HydrophobicContact CB-CD1 4.23Å; L145-L169 HydrophobicContact CD2-CD1 4.12Å; L145-L169 HydrophobicContact CD2-CD2 4.11Å
146	R	94.5	Very high	84.6	Confident	102 Å²	102	74.6 Å²	74.6	39%	0.385	39%	0.388	S	S	.	.	H	α-helix	trans	-66	-42.8	176.2	-168.1	-179.5	-58.3	119.8	8.8	111.7	F134 Q142 E143 E144 M148 L149 V150	F134-R146 HydrophobicContact CZ-CB 4.3Å; Q142-R146 WeakPolarHBondContact O-CB 3.22Å; Q142-R146 PolarHBondContact O-N 2.96Å; E143-R146 WeakPolarHBondContact O-CB 3.47Å; E143-R146 PolarHBondContact O-N 2.93Å; E143-R146 IonicContact OE1-CZ 2.68Å; E143-R146 IonicContact OE1-NH1 3.92Å; E143-R146 PolarHBondContact OE1-NH1 2.8Å; E143-R146 IonicContact OE2-CZ 3.73Å; E143-R146 IonicContact OE2-NH1 3.84Å; E143-R146 PolarHBondContact OE2-NH1 3Å; E144-R146 PolarHBondContact O-N 2.96Å; R146-M148 VanDerWaalsContact C-N 3.27Å; R146-M148 PolarHBondContact O-N 2.72Å; R146-L149 PolarHBondContact O-N 2.71Å; R146-V150 WeakPolarHBondContact O-CG2 3.04Å; R146-V150 PolarHBondContact O-N 2.91Å
147	E	92.6	Very high	82.4	Confident	142 Å²	142	83.3 Å²	83.3	66%	0.664	43%	0.425	S	S	*	.	H	α-helix	trans	-60.1	-38.2	174	-69.5	-166.8	149.7	0	0	112	E143 E144 V150	E143-E147 PolarHBondContact O-N 2.93Å; E144-E147 PolarHBondContact O-N 3.17Å; E147-V150 PolarHBondContact O-N 2.93Å
148	M	91.7	Very high	80.1	Confident	42 Å²	42	89.1 Å²	89.1	21%	0.207	46%	0.461	C	S	.	.	H	α-helix	trans	-71.7	-26.7	178.2	-66.7	-58.1	-100.4	0	0	113.7	E144 L145 R146 R165 F167	E144-M148 VanDerWaalsContact O-CG 3.3Å; E144-M148 WeakPolarHBondContact O-CG 3.49Å; E144-M148 PolarHBondContact O-N 3.49Å; E144-M148 VanDerWaalsContact O-N 3.08Å; L145-M148 PolarHBondContact O-N 3.02Å; R146-M148 VanDerWaalsContact C-N 3.27Å; R146-M148 PolarHBondContact O-N 2.72Å; M148-R165 HydrophobicContact CE-CB 3.9Å; M148-R165 VanDerWaalsContact CE-CD 3.49Å; M148-R165 HydrophobicContact CE-CG 4.29Å; M148-R165 WeakPolarHBondContact O-CD 3.36Å; M148-R165 PolarHBondContact O-NE 3.08Å; M148-F167 HydrophobicContact CB-CD1 4.47Å; M148-F167 HydrophobicContact CB-CE1 4.3Å; M148-F167 HydrophobicContact CE-CB 4.02Å; M148-F167 HydrophobicContact CE-CD1 3.64Å; M148-F167 HydrophobicContact CE-CE1 4.48Å; M148-F167 HydrophobicContact CE-CG 4.13Å; M148-F167 HydrophobicContact CG-CD1 4.07Å; M148-F167 HydrophobicContact CG-CE1 4.38Å; M148-F167 HydrophobicContact CG-CG 4.21Å
149	L	90.9	Very high	77.9	Confident	5 Å²	5	96.8 Å²	96.8	3%	0.026	49%	0.493	C	S	.	.	H	α-helix	trans	-72.3	-30.4	174	-74.8	166.9	0	0	0	113.3	L104 S105 F134 L145 R146 Y151 L218	L104-L149 HydrophobicContact CB-CD2 3.95Å; L104-L149 HydrophobicContact CD1-CD2 4.04Å; S105-L149 WeakPolarHBondContact O-CD2 3.46Å; F134-L149 HydrophobicContact CZ-CD1 3.89Å; L145-L149 HydrophobicContact CG-CD1 4.47Å; L145-L149 WeakPolarHBondContact O-CG 3.16Å; L145-L149 PolarHBondContact O-N 3.07Å; L145-L149 VanDerWaalsContact O-N 3.08Å; R146-L149 PolarHBondContact O-N 2.71Å; L149-Y151 PolarHBondContact O-N 2.68Å; L149-L218 HydrophobicContact CD2-CB 3.79Å; L149-L218 HydrophobicContact CD2-CD2 3.73Å; L149-L218 HydrophobicContact CD2-CG 4.37Å; L149-L218 HydrophobicContact CG-CD2 4.27Å
150	V	85.6	Confident	75.9	Confident	61 Å²	61	101.2 Å²	101.2	37%	0.37	51%	0.507	S	S	.	.			trans	-65.4	121.5	-173.3	172.5	0	0	0	0	112.3	R146 E147 R152 R165	R146-V150 WeakPolarHBondContact O-CG2 3.04Å; R146-V150 PolarHBondContact O-N 2.91Å; E147-V150 PolarHBondContact O-N 2.93Å; V150-R152 HydrophobicContact CG1-CG 3.77Å; V150-R165 PolarHBondContact O-NH2 3.19Å
151	Y	78.4	Confident	74.1	Confident	76 Å²	76	99 Å²	99	30%	0.298	49%	0.492	S	S	.	.			trans	-95.9	101.5	169.9	-175.4	-99.9	0	0	0	111.6	L149 S153 V198 V200 P216	L149-Y151 PolarHBondContact O-N 2.68Å; Y151-S153 PolarHBondContact O-N 2.86Å; Y151-V198 HydrophobicContact CD2-CG1 3.85Å; Y151-V198 HydrophobicContact CG-CG1 4.35Å; Y151-V200 HydrophobicContact CD1-CG2 3.98Å; Y151-V200 HydrophobicContact CD2-CG2 3.82Å; Y151-V200 HydrophobicContact CE1-CG2 3.85Å; Y151-V200 HydrophobicContact CE2-CG2 3.68Å; Y151-V200 HydrophobicContact CG-CG2 3.97Å; Y151-P216 HydrophobicContact CG-CB 4.3Å
152	R	69.5	Low	72.9	Confident	203 Å²	203	102.3 Å²	102.3	77%	0.766	52%	0.515	S	S	*	.			trans	-84.7	93.6	175.4	-60.3	-164.6	-174.7	-154.1	2.6	111.1	V150 G154	V150-R152 HydrophobicContact CG1-CG 3.77Å; R152-G154 PolarHBondContact O-N 3.39Å
153	S	59.8	Low	72.5	Confident	99 Å²	99	102.7 Å²	102.7	69%	0.692	52%	0.521	S	S	*	.			trans	-56.9	118.6	171.2	-169.6	0	0	0	0	110.9	Y151	Y151-S153 PolarHBondContact O-N 2.86Å
154	G	53.7	Low	72.3	Confident	48 Å²	48	104.3 Å²	104.3	50%	0.495	53%	0.528	S	S	.	.			trans	-72.3	132.4	-167.8	0	0	0	0	0	113.9	R152 K156	R152-G154 PolarHBondContact O-N 3.39Å; G154-K156 VanDerWaalsContact C-N 3.25Å; G154-K156 PolarHBondContact O-N 2.94Å
155	S	46.8	Very low	72.2	Confident	112 Å²	112	103.7 Å²	103.7	78%	0.783	52%	0.524	S	S	*	.			trans	-75.3	66.5	-179.4	51.1	0	0	0	0	113.8	K157	S155-K157 PolarHBondContact O-N 3.22Å
156	K	49.6	Very low	72.1	Confident	212 Å²	212	108.4 Å²	108.4	92%	0.922	55%	0.549	S	S	*	.	S	Bend	trans	55.8	-1.1	163.3	-71.1	-166.7	174.1	-175	0	120	G154	G154-K156 VanDerWaalsContact C-N 3.25Å; G154-K156 PolarHBondContact O-N 2.94Å
157	K	49.9	Very low	72.1	Confident	206 Å²	206	104 Å²	104	90%	0.896	53%	0.533	S	S	*	.	S	Bend	trans	-142.3	12.3	-178.5	-82.3	-154.6	172.5	-168.8	0	117.4	S155	S155-K157 PolarHBondContact O-N 3.22Å
158	V	50.9	Low	72.3	Confident	126 Å²	126	97.7 Å²	97.7	76%	0.764	50%	0.503	S	S	*	.	S	Bend	trans	-125	149.1	176.8	-176.7	0	0	0	0	109.6
159	K	50.5	Low	72.5	Confident	197 Å²	197	96 Å²	96	86%	0.857	50%	0.495	S	S	*	.			trans	-38.8	137.2	172.3	-174.2	-179.9	-177.9	-177.7	0	110.9
160	E	54.6	Low	72.8	Confident	177 Å²	177	97.4 Å²	97.4	83%	0.827	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-51.9	135	-178.2	-67.4	-176.8	127.7	0	0	111	S162	E160-S162 PolarHBondContact O-N 3.07Å
161	P	59.5	Low	73.4	Confident	54 Å²	54	94.8 Å²	94.8	35%	0.351	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-64.5	129.8	177.1	28.6	-33.8	0	0	0	108.1	T163	P161-T163 PolarHBondContact O-N 3.23Å; P161-T163 VanDerWaalsContact O-N 3.12Å
162	S	71.6	Confident	74.2	Confident	72 Å²	72	94 Å²	94	50%	0.503	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-56.8	125.5	175.8	-172.9	0	0	0	0	109	E160 E164 R165	E160-S162 PolarHBondContact O-N 3.07Å; S162-E164 VanDerWaalsContact C-N 3.27Å; S162-E164 PolarHBondContact OG-N 3.27Å; S162-R165 PolarHBondContact O-NH1 3.02Å
163	T	86.7	Confident	75.5	Confident	62 Å²	62	84.7 Å²	84.7	38%	0.38	45%	0.447	S	S	.	.			trans	-75.6	-22.5	173.3	46.7	0	0	0	0	111.1	P161 R165 H197 V198	P161-T163 PolarHBondContact O-N 3.23Å; P161-T163 VanDerWaalsContact O-N 3.12Å; T163-R165 PolarHBondContact O-NH1 3.32Å; T163-H197 CarbonylContact O-C 3.56Å; T163-H197 VanDerWaalsContact O-CA 3.25Å; T163-H197 WeakPolarHBondContact O-CA 3.33Å; T163-V198 WeakPolarHBondContact CB-O 3.34Å; T163-V198 PolarHBondContact O-N 2.98Å
164	E	90.9	Very high	77.2	Confident	143 Å²	143	80 Å²	80	67%	0.668	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	145.3	179.6	-59.1	179.7	155	0	0	112.2	S162 G196	S162-E164 VanDerWaalsContact C-N 3.27Å; S162-E164 PolarHBondContact OG-N 3.27Å; E164-G196 CarbonylContact C-O 3.58Å; E164-G196 WeakPolarHBondContact CA-O 3.45Å
165	R	92.6	Very high	79	Confident	38 Å²	38	79.7 Å²	79.7	14%	0.143	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	130.5	178.2	-64.9	-64.4	179.8	-93	4.6	108.4	M148 V150 S162 T163 F167 S195 G196 V198 L218 L220	M148-R165 HydrophobicContact CE-CB 3.9Å; M148-R165 VanDerWaalsContact CE-CD 3.49Å; M148-R165 HydrophobicContact CE-CG 4.29Å; M148-R165 WeakPolarHBondContact O-CD 3.36Å; M148-R165 PolarHBondContact O-NE 3.08Å; V150-R165 PolarHBondContact O-NH2 3.19Å; S162-R165 PolarHBondContact O-NH1 3.02Å; T163-R165 PolarHBondContact O-NH1 3.32Å; R165-F167 HydrophobicContact CB-CE1 4.43Å; R165-S195 CarbonylContact O-C 3.52Å; R165-S195 WeakPolarHBondContact O-CA 3.43Å; R165-G196 PolarHBondContact N-O 3.42Å; R165-G196 PolarHBondContact O-N 3.06Å; R165-V198 HydrophobicContact CG-CG2 4.07Å; R165-L218 HydrophobicContact CB-CD1 4.11Å; R165-L218 HydrophobicContact CG-CD1 3.76Å; R165-L220 HydrophobicContact CB-CD2 4.35Å
166	N	93.1	Very high	81	Confident	100 Å²	100	76.7 Å²	76.7	54%	0.535	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	113	179.8	-167.6	-50.5	0	0	0	108.1	H193 C194	N166-H193 PolarHBondContact OD1-NE2 2.87Å; N166-C194 VanDerWaalsContact CA-O 3.31Å; N166-C194 WeakPolarHBondContact CA-O 3.5Å
167	F	94.9	Very high	82.4	Confident	9 Å²	9	70.9 Å²	70.9	4%	0.039	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	179	-173	64.3	-76.2	0	0	0	112.1	L145 M148 R165 L169 H193 C194 L220	L145-F167 HydrophobicContact CD1-CE2 3.85Å; L145-F167 HydrophobicContact CD1-CZ 3.73Å; M148-F167 HydrophobicContact CB-CD1 4.47Å; M148-F167 HydrophobicContact CB-CE1 4.3Å; M148-F167 HydrophobicContact CE-CB 4.02Å; M148-F167 HydrophobicContact CE-CD1 3.64Å; M148-F167 HydrophobicContact CE-CE1 4.48Å; M148-F167 HydrophobicContact CE-CG 4.13Å; M148-F167 HydrophobicContact CG-CD1 4.07Å; M148-F167 HydrophobicContact CG-CE1 4.38Å; M148-F167 HydrophobicContact CG-CG 4.21Å; R165-F167 HydrophobicContact CB-CE1 4.43Å; F167-L169 HydrophobicContact CD2-CB 4.47Å; F167-L169 HydrophobicContact CE2-CB 4.11Å; F167-L169 HydrophobicContact CE2-CD1 4.29Å; F167-L169 HydrophobicContact CE2-CD2 4.41Å; F167-H193 PolarHBondContact O-CD2 2.95Å; F167-C194 HydrophobicContact CD1-CB 3.97Å; F167-C194 HydrophobicContact CD2-CB 4.25Å; F167-C194 HydrophobicContact CE1-CB 3.67Å; F167-C194 HydrophobicContact CE2-CB 3.96Å; F167-C194 HydrophobicContact CG-CB 4.26Å; F167-C194 HydrophobicContact CZ-CB 3.66Å; F167-C194 PolarHBondContact N-O 2.88Å; F167-C194 PolarHBondContact O-N 2.87Å; F167-L220 HydrophobicContact CE1-CD1 3.98Å; F167-L220 HydrophobicContact CE1-CD2 3.97Å; F167-L220 HydrophobicContact CZ-CD1 3.81Å
168	F	96.8	Very high	83.8	Confident	9 Å²	9	71.3 Å²	71.3	4%	0.039	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	126.7	-179.1	-66	-81.4	0	0	0	111.4	V191 L192 H193 I225 K295 V298 T299	F168-V191 HydrophobicContact CB-CG1 4.5Å; F168-V191 HydrophobicContact CD1-CG1 4.44Å; F168-L192 WeakPolarHBondContact CA-O 3.37Å; F168-H193 HydrophobicContact CD1-CB 4.15Å; F168-H193 HydrophobicContact CE1-CB 3.76Å; F168-H193 AromaticContact CE1-CD2 3.39Å; F168-H193 WeakPolarHBondContact CE1-CD2 3.42Å; F168-H193 AromaticContact CE1-CG 3.75Å; F168-H193 AromaticContact CZ-CD2 3.49Å; F168-H193 VanDerWaalsContact CZ-CD2 3.49Å; F168-H193 WeakPolarHBondContact CZ-CD2 3.46Å; F168-I225 HydrophobicContact CD1-CD1 3.99Å; F168-I225 HydrophobicContact CE1-CD1 3.96Å; F168-K295 HydrophobicContact CB-CD 3.58Å; F168-K295 WeakPolarHBondContact O-CD 3.38Å; F168-K295 VanDerWaalsContact O-CE 3.23Å; F168-K295 WeakPolarHBondContact O-CE 3.32Å; F168-K295 PolarHBondContact O-NZ 3.5Å; F168-V298 HydrophobicContact CD1-CG2 4.19Å; F168-V298 HydrophobicContact CD2-CG2 3.78Å; F168-V298 HydrophobicContact CE1-CG2 3.9Å; F168-V298 HydrophobicContact CE2-CG2 3.47Å; F168-V298 VanDerWaalsContact CE2-CG2 3.47Å; F168-V298 HydrophobicContact CG-CG2 4.15Å; F168-V298 HydrophobicContact CZ-CG2 3.55Å; F168-T299 WeakPolarHBondContact CZ-O 3.5Å
169	L	96.4	Very high	85.1	Confident	6 Å²	6	68.2 Å²	68.2	3%	0.031	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.3	-174.4	-166.3	63.8	0	0	0	111	T137 D141 L145 F167 M171 L192	T137-L169 HydrophobicContact CG2-CD1 3.55Å; T137-L169 HydrophobicContact CG2-CG 4.33Å; D141-L169 HydrophobicContact CB-CD1 3.97Å; L145-L169 HydrophobicContact CB-CD1 4.23Å; L145-L169 HydrophobicContact CD2-CD1 4.12Å; L145-L169 HydrophobicContact CD2-CD2 4.11Å; F167-L169 HydrophobicContact CD2-CB 4.47Å; F167-L169 HydrophobicContact CE2-CB 4.11Å; F167-L169 HydrophobicContact CE2-CD1 4.29Å; F167-L169 HydrophobicContact CE2-CD2 4.41Å; L169-M171 HydrophobicContact CD2-CG 3.9Å; L169-M171 HydrophobicContact CD2-SD 4.09Å; L169-M171 HydrophobicContact CG-CG 4.1Å; L169-L192 PolarHBondContact N-O 2.94Å; L169-L192 PolarHBondContact O-N 3.41Å
170	R	97.5	Very high	86.8	Confident	35 Å²	35	67.4 Å²	67.4	13%	0.132	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	114.8	166.8	-69.9	169.9	-73.7	-155.6	-10.2	110	T137 H138 D141 W189 K190 V191 A294	T137-R170 WeakPolarHBondContact CA-O 3.44Å; H138-R170 HydrophobicContact CB-CB 3.6Å; H138-R170 PolarHBondContact N-O 2.76Å; D141-R170 IonicContact OD1-CZ 2.69Å; D141-R170 IonicContact OD1-NE 3.46Å; D141-R170 IonicContact OD1-NH2 3.27Å; D141-R170 PolarHBondContact OD1-NH2 2.8Å; D141-R170 VanDerWaalsContact OD2-CB 3.23Å; D141-R170 WeakPolarHBondContact OD2-CB 3.32Å; D141-R170 WeakPolarHBondContact OD2-CG 3.15Å; D141-R170 IonicContact OD2-CZ 2.93Å; D141-R170 PolarHBondContact OD2-N 3.48Å; D141-R170 IonicContact OD2-NE 2.68Å; D141-R170 PolarHBondContact OD2-NE 3.35Å; D141-R170 IonicContact OD2-NH2 2.91Å; R170-W189 HydrophobicContact CB-CB 4.37Å; R170-W189 HydrophobicContact CB-CE3 4.48Å; R170-K190 WeakPolarHBondContact CA-O 3.37Å; R170-V191 HydrophobicContact CG-CG2 4.03Å; R170-A294 PolarHBondContact NH1-O 2.69Å; R170-A294 PolarHBondContact NH2-O 2.87Å
171	M	96.9	Very high	88.5	Confident	6 Å²	6	63.2 Å²	63.2	3%	0.03	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	156.6	172.2	-66.4	-170.4	77.5	0	0	111.8	F100 L121 V133 F136 L169 C173 K190 L192	F100-M171 HydrophobicContact CZ-SD 4.35Å; L121-M171 HydrophobicContact CD1-CB 4.06Å; L121-M171 HydrophobicContact CD1-SD 4.45Å; V133-M171 HydrophobicContact CG2-CE 4.4Å; F136-M171 HydrophobicContact CB-CE 3.84Å; F136-M171 CarbonylContact O-C 3.51Å; F136-M171 VanDerWaalsContact O-CA 3.26Å; F136-M171 WeakPolarHBondContact O-CA 3.25Å; L169-M171 HydrophobicContact CD2-CG 3.9Å; L169-M171 HydrophobicContact CD2-SD 4.09Å; L169-M171 HydrophobicContact CG-CG 4.1Å; M171-C173 PolarHBondContact O-N 2.7Å; M171-K190 PolarHBondContact N-O 3.33Å; M171-K190 PolarHBondContact O-N 2.81Å; M171-L192 HydrophobicContact CB-CD1 3.96Å; M171-L192 HydrophobicContact CG-CD1 3.69Å; M171-L192 HydrophobicContact SD-CD1 3.48Å; M171-L192 WeakPolarHBondContact SD-CD1 3.32Å
172	K	96.5	Very high	90	Very high	60 Å²	60	63.4 Å²	63.4	26%	0.261	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	132.2	173.1	-70.8	177.4	-177.4	164.4	0	110.4	L123 D135 F136 V184 A187 W189	L123-K172 WeakPolarHBondContact CD1-O 3.46Å; D135-K172 WeakPolarHBondContact O-CE 3.42Å; D135-K172 PolarHBondContact O-NZ 3Å; F136-K172 HydrophobicContact CD1-CD 4.49Å; F136-K172 PolarHBondContact O-N 3.41Å; K172-V184 HydrophobicContact CD-CG1 4.43Å; K172-A187 HydrophobicContact CB-CB 4.13Å; K172-W189 HydrophobicContact CB-CZ3 4.49Å; K172-W189 HydrophobicContact CD-CH2 4.45Å; K172-W189 HydrophobicContact CG-CE3 4.15Å; K172-W189 HydrophobicContact CG-CH2 3.78Å; K172-W189 HydrophobicContact CG-CZ3 3.51Å
173	C	95.5	Very high	90.9	Very high	7 Å²	7	65 Å²	65	5%	0.047	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	122.2	177.8	-176.6	0	0	0	0	110	L121 M171 L175 A187 T188 K190	L121-C173 HydrophobicContact CD2-CB 3.92Å; L121-C173 CarbonylContact O-C 3.44Å; L121-C173 WeakPolarHBondContact O-CA 3.23Å; L121-C173 PolarHBondContact O-SG 3.43Å; M171-C173 PolarHBondContact O-N 2.7Å; C173-L175 PolarHBondContact SG-N 2.79Å; C173-L175 VanDerWaalsContact SG-N 3.42Å; C173-A187 CarbonylContact O-C 3.59Å; C173-A187 WeakPolarHBondContact O-CA 3.22Å; C173-A187 WeakPolarHBondContact O-CB 3.48Å; C173-T188 PolarHBondContact N-O 2.81Å; C173-T188 PolarHBondContact O-N 2.89Å; C173-T188 PolarHBondContact O-OG1 2.69Å; C173-K190 HydrophobicContact CB-CB 3.55Å; C173-K190 HydrophobicContact CB-CG 4.48Å
174	T	95.4	Very high	91	Very high	2 Å²	2	65.2 Å²	65.2	1%	0.012	34%	0.336	C	S	.	.			trans	-89	-5.2	173.4	46.9	0	0	0	0	112.3	L121 G122 L123 T181 V182 V184 A187	L121-T174 PolarHBondContact O-N 3.4Å; L121-T174 PolarHBondContact O-OG1 2.99Å; L121-T174 VanDerWaalsContact O-OG1 3.07Å; G122-T174 VanDerWaalsContact CA-OG1 3.32Å; G122-T174 WeakPolarHBondContact CA-OG1 3.3Å; G122-T174 PolarHBondContact O-OG1 3.33Å; L123-T174 HydrophobicContact CD2-CG2 3.67Å; T174-T181 CarbonylContact O-C 3.56Å; T174-T181 VanDerWaalsContact O-CA 3.26Å; T174-T181 WeakPolarHBondContact O-CA 3.27Å; T174-V182 VanDerWaalsContact CB-O 3.26Å; T174-V182 WeakPolarHBondContact CB-O 3.43Å; T174-V182 WeakPolarHBondContact CG2-O 3.3Å; T174-V182 WeakPolarHBondContact O-CG2 3.23Å; T174-V182 PolarHBondContact O-N 3.45Å; T174-V184 HydrophobicContact CG2-CG2 4.14Å; T174-A187 HydrophobicContact CG2-CB 4.13Å
175	L	92.5	Very high	91	Very high	40 Å²	40	67.7 Å²	67.7	21%	0.209	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-79.6	120.9	172.2	-59.6	176.5	0	0	0	111.2	K119 L121 C173	K119-L175 WeakPolarHBondContact O-CD1 3.44Å; L121-L175 PolarHBondContact O-N 3.37Å; C173-L175 PolarHBondContact SG-N 2.79Å; C173-L175 VanDerWaalsContact SG-N 3.42Å
176	T	87.9	Confident	90.9	Very high	50 Å²	50	69.8 Å²	69.8	31%	0.307	37%	0.365	S	S	.	.			trans	-69.1	161.2	163.8	57.3	0	0	0	0	111	R178 G179 R180 V182	T176-R178 PolarHBondContact O-N 3.05Å; T176-G179 PolarHBondContact O-N 2.98Å; T176-R180 PolarHBondContact N-O 3.31Å; T176-R180 WeakPolarHBondContact OG1-CB 3.44Å; T176-R180 PolarHBondContact OG1-N 3.04Å; T176-R180 VanDerWaalsContact OG1-N 3.14Å; T176-R180 PolarHBondContact OG1-O 3.06Å; T176-V182 HydrophobicContact CG2-CG1 3.8Å
177	S	79.7	Confident	90.9	Very high	90 Å²	90	66.2 Å²	66.2	63%	0.629	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-5.3	173.9	56	0	0	0	0	115.1	N230	S177-N230 PolarHBondContact O-ND2 2.99Å
178	R	79.7	Confident	90.8	Very high	215 Å²	215	69.6 Å²	69.6	81%	0.811	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	20.2	173.1	-63.4	-176.3	176	174.7	-1	113.1	T176 R180	T176-R178 PolarHBondContact O-N 3.05Å; R178-R180 PolarHBondContact O-N 3.39Å; R178-R180 VanDerWaalsContact O-N 3.16Å
179	G	78.6	Confident	90.7	Very high	60 Å²	60	74.3 Å²	74.3	62%	0.619	39%	0.388	S	S	*	.	S	Bend	trans	67.7	11.9	177.5	0	0	0	0	0	115.5	T176	T176-G179 PolarHBondContact O-N 2.98Å
180	R	86.2	Confident	90.7	Very high	181 Å²	181	75.9 Å²	75.9	68%	0.683	40%	0.395	S	S	*	.			trans	-91.6	131.3	175.8	-58.3	-179	178.4	-171.7	-3.9	110.6	T176 R178	T176-R180 PolarHBondContact N-O 3.31Å; T176-R180 WeakPolarHBondContact OG1-CB 3.44Å; T176-R180 PolarHBondContact OG1-N 3.04Å; T176-R180 VanDerWaalsContact OG1-N 3.14Å; T176-R180 PolarHBondContact OG1-O 3.06Å; R178-R180 PolarHBondContact O-N 3.39Å; R178-R180 VanDerWaalsContact O-N 3.16Å
181	T	89	Confident	90.6	Very high	88 Å²	88	74.5 Å²	74.5	54%	0.54	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-72.9	140	173.8	-38.1	0	0	0	0	111.8	T174	T174-T181 CarbonylContact O-C 3.56Å; T174-T181 VanDerWaalsContact O-CA 3.26Å; T174-T181 WeakPolarHBondContact O-CA 3.27Å
182	V	92.8	Very high	90.6	Very high	58 Å²	58	74.2 Å²	74.2	35%	0.352	39%	0.389	S	S	.	.			trans	-120.4	173.9	170.9	-61.9	0	0	0	0	111.5	T174 T176	T174-V182 VanDerWaalsContact CB-O 3.26Å; T174-V182 WeakPolarHBondContact CB-O 3.43Å; T174-V182 WeakPolarHBondContact CG2-O 3.3Å; T174-V182 WeakPolarHBondContact O-CG2 3.23Å; T174-V182 PolarHBondContact O-N 3.45Å; T176-V182 HydrophobicContact CG2-CG1 3.8Å
183	N	90.5	Very high	90.6	Very high	105 Å²	105	73 Å²	73	56%	0.561	38%	0.384	S	S	*	.			trans	-66.3	147.1	174.2	-171	-71.1	0	0	0	111.1	K185 S186 A187	N183-K185 PolarHBondContact O-N 2.68Å; N183-K185 VanDerWaalsContact O-N 3.15Å; N183-K185 WeakPolarHBondContact OD1-CB 3.44Å; N183-K185 PolarHBondContact OD1-N 2.79Å; N183-S186 CarbonylContact O-C 3.43Å; N183-S186 WeakPolarHBondContact O-CA 3.36Å; N183-S186 PolarHBondContact O-N 2.77Å; N183-A187 PolarHBondContact O-N 2.86Å
184	V	88	Confident	90.7	Very high	68 Å²	68	72.7 Å²	72.7	41%	0.412	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-54.1	-32.3	176.6	-175.7	0	0	0	0	113	L123 K172 T174 S186 A187	L123-V184 HydrophobicContact CD2-CG2 3.94Å; K172-V184 HydrophobicContact CD-CG1 4.43Å; T174-V184 HydrophobicContact CG2-CG2 4.14Å; V184-S186 PolarHBondContact O-N 2.81Å; V184-A187 VanDerWaalsContact O-CB 3.25Å; V184-A187 WeakPolarHBondContact O-CB 3.23Å; V184-A187 PolarHBondContact O-N 2.86Å
185	K	89.9	Confident	90.7	Very high	195 Å²	195	74.2 Å²	74.2	85%	0.848	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-66.9	-13.2	174	-65.8	-173.3	178.8	-176.4	0	114.3	N183	N183-K185 PolarHBondContact O-N 2.68Å; N183-K185 VanDerWaalsContact O-N 3.15Å; N183-K185 WeakPolarHBondContact OD1-CB 3.44Å; N183-K185 PolarHBondContact OD1-N 2.79Å
186	S	90.8	Very high	90.8	Very high	82 Å²	82	73.5 Å²	73.5	57%	0.573	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-119.1	15	176.7	-52.9	0	0	0	0	111.9	N183 V184	N183-S186 CarbonylContact O-C 3.43Å; N183-S186 WeakPolarHBondContact O-CA 3.36Å; N183-S186 PolarHBondContact O-N 2.77Å; V184-S186 PolarHBondContact O-N 2.81Å
187	A	93.1	Very high	91	Very high	24 Å²	24	74.8 Å²	74.8	20%	0.198	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-61.7	143.6	175.5	0	0	0	0	0	111.2	K172 C173 T174 N183 V184	K172-A187 HydrophobicContact CB-CB 4.13Å; C173-A187 CarbonylContact O-C 3.59Å; C173-A187 WeakPolarHBondContact O-CA 3.22Å; C173-A187 WeakPolarHBondContact O-CB 3.48Å; T174-A187 HydrophobicContact CG2-CB 4.13Å; N183-A187 PolarHBondContact O-N 2.86Å; V184-A187 VanDerWaalsContact O-CB 3.25Å; V184-A187 WeakPolarHBondContact O-CB 3.23Å; V184-A187 PolarHBondContact O-N 2.86Å
188	T	93.4	Very high	91.5	Very high	80 Å²	80	70.7 Å²	70.7	49%	0.491	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	171.5	169.9	60.3	0	0	0	0	110	C173	C173-T188 PolarHBondContact N-O 2.81Å; C173-T188 PolarHBondContact O-N 2.89Å; C173-T188 PolarHBondContact O-OG1 2.69Å
189	W	94.7	Very high	91.8	Very high	108 Å²	108	62.6 Å²	62.6	41%	0.409	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.4	171.7	-61.8	109.8	0	0	0	109.5	H138 R170 K172	H138-W189 VanDerWaalsContact CA-CZ3 3.5Å; H138-W189 HydrophobicContact CB-CD2 4.16Å; H138-W189 HydrophobicContact CB-CE3 3.85Å; H138-W189 HydrophobicContact CB-CH2 4.29Å; H138-W189 HydrophobicContact CB-CZ3 3.92Å; H138-W189 AromaticContact CD2-CD1 3.93Å; H138-W189 AromaticContact CD2-CD2 3.78Å; H138-W189 AromaticContact CD2-CE2 3.62Å; H138-W189 AromaticContact CD2-CG 3.98Å; H138-W189 AromaticContact CD2-NE1 3.71Å; H138-W189 VanDerWaalsContact N-CZ3 3.3Å; R170-W189 HydrophobicContact CB-CB 4.37Å; R170-W189 HydrophobicContact CB-CE3 4.48Å; K172-W189 HydrophobicContact CB-CZ3 4.49Å; K172-W189 HydrophobicContact CD-CH2 4.45Å; K172-W189 HydrophobicContact CG-CE3 4.15Å; K172-W189 HydrophobicContact CG-CH2 3.78Å; K172-W189 HydrophobicContact CG-CZ3 3.51Å
190	K	95.4	Very high	92	Very high	40 Å²	40	62.2 Å²	62.2	17%	0.174	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.2	176.5	177.9	61.6	173.4	176.8	0	109	L121 R170 M171 C173 L192 P224 I225	L121-K190 HydrophobicContact CD2-CB 3.86Å; L121-K190 HydrophobicContact CD2-CG 3.91Å; R170-K190 WeakPolarHBondContact CA-O 3.37Å; M171-K190 PolarHBondContact N-O 3.33Å; M171-K190 PolarHBondContact O-N 2.81Å; C173-K190 HydrophobicContact CB-CB 3.55Å; C173-K190 HydrophobicContact CB-CG 4.48Å; K190-L192 HydrophobicContact CG-CD2 4.24Å; K190-P224 VanDerWaalsContact CE-CB 3.46Å; K190-P224 HydrophobicContact CG-CB 4.49Å; K190-I225 PolarHBondContact NZ-O 3.29Å
191	V	96.7	Very high	91.4	Very high	5 Å²	5	54.3 Å²	54.3	3%	0.03	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	130.8	173.7	-170.4	0	0	0	0	109.3	F168 R170 I225 K295 Q297	F168-V191 HydrophobicContact CB-CG1 4.5Å; F168-V191 HydrophobicContact CD1-CG1 4.44Å; R170-V191 HydrophobicContact CG-CG2 4.03Å; V191-I225 HydrophobicContact CB-CD1 4.38Å; V191-I225 HydrophobicContact CG1-CD1 3.8Å; V191-I225 PolarHBondContact O-N 3.21Å; V191-K295 VanDerWaalsContact CG2-O 3.3Å; V191-K295 WeakPolarHBondContact CG2-O 3.49Å; V191-Q297 HydrophobicContact CB-CB 3.95Å; V191-Q297 HydrophobicContact CB-CG 4.34Å; V191-Q297 HydrophobicContact CG1-CB 4.27Å; V191-Q297 HydrophobicContact CG2-CB 3.86Å; V191-Q297 HydrophobicContact CG2-CG 3.98Å
192	L	97.1	Very high	90.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	142.6	172.7	-53.4	177.2	0	0	0	108.8	F100 L121 F168 L169 M171 K190 C222 D223 P224	F100-L192 HydrophobicContact CE1-CD1 4.02Å; F100-L192 HydrophobicContact CE1-CD2 4.1Å; F100-L192 HydrophobicContact CZ-CD1 3.57Å; F100-L192 HydrophobicContact CZ-CD2 4.5Å; L121-L192 HydrophobicContact CD2-CD2 4.28Å; F168-L192 WeakPolarHBondContact CA-O 3.37Å; L169-L192 PolarHBondContact N-O 2.94Å; L169-L192 PolarHBondContact O-N 3.41Å; M171-L192 HydrophobicContact CB-CD1 3.96Å; M171-L192 HydrophobicContact CG-CD1 3.69Å; M171-L192 HydrophobicContact SD-CD1 3.48Å; M171-L192 WeakPolarHBondContact SD-CD1 3.32Å; K190-L192 HydrophobicContact CG-CD2 4.24Å; L192-C222 HydrophobicContact CD1-CB 4.25Å; L192-D223 CarbonylContact C-O 3.51Å; L192-D223 WeakPolarHBondContact CA-O 3.42Å; L192-P224 HydrophobicContact CD2-CB 3.82Å
193	H	96.7	Very high	88.4	Confident	36 Å²	36	52.9 Å²	52.9	17%	0.167	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	125.2	158.3	-176.4	-142.1	0	0	0	108	N166 F167 F168 C222 D223	N166-H193 PolarHBondContact OD1-NE2 2.87Å; F167-H193 PolarHBondContact O-CD2 2.95Å; F168-H193 HydrophobicContact CD1-CB 4.15Å; F168-H193 HydrophobicContact CE1-CB 3.76Å; F168-H193 AromaticContact CE1-CD2 3.39Å; F168-H193 WeakPolarHBondContact CE1-CD2 3.42Å; F168-H193 AromaticContact CE1-CG 3.75Å; F168-H193 AromaticContact CZ-CD2 3.49Å; F168-H193 VanDerWaalsContact CZ-CD2 3.49Å; F168-H193 WeakPolarHBondContact CZ-CD2 3.46Å; H193-C222 CarbonylContact O-C 3.32Å; H193-C222 WeakPolarHBondContact O-CA 3.26Å; H193-D223 PolarHBondContact N-O 3.32Å; H193-D223 PolarHBondContact O-N 2.99Å
194	C	96.7	Very high	86.7	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	116.4	-177.1	-64.9	0	0	0	0	108.9	N166 F167 L220 I221	N166-C194 VanDerWaalsContact CA-O 3.31Å; N166-C194 WeakPolarHBondContact CA-O 3.5Å; F167-C194 HydrophobicContact CD1-CB 3.97Å; F167-C194 HydrophobicContact CD2-CB 4.25Å; F167-C194 HydrophobicContact CE1-CB 3.67Å; F167-C194 HydrophobicContact CE2-CB 3.96Å; F167-C194 HydrophobicContact CG-CB 4.26Å; F167-C194 HydrophobicContact CZ-CB 3.66Å; F167-C194 PolarHBondContact N-O 2.88Å; F167-C194 PolarHBondContact O-N 2.87Å; C194-L220 HydrophobicContact CB-CD1 4.39Å; C194-L220 HydrophobicContact CB-CD2 4.45Å; C194-I221 WeakPolarHBondContact CA-O 3.4Å
195	S	95.4	Very high	84.6	Confident	34 Å²	34	60.1 Å²	60.1	24%	0.238	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	141.4	179.3	69.8	0	0	0	0	111.6	R165 L220 I221	R165-S195 CarbonylContact O-C 3.52Å; R165-S195 WeakPolarHBondContact O-CA 3.43Å; S195-L220 CarbonylContact O-C 3.59Å; S195-L220 WeakPolarHBondContact O-CA 3.44Å; S195-I221 PolarHBondContact N-O 2.87Å; S195-I221 PolarHBondContact O-N 2.89Å
196	G	94.6	Very high	82.7	Confident	25 Å²	25	53 Å²	53	26%	0.258	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	161.8	-149.8	-178	0	0	0	0	0	113	E164 R165 V219	E164-G196 CarbonylContact C-O 3.58Å; E164-G196 WeakPolarHBondContact CA-O 3.45Å; R165-G196 PolarHBondContact N-O 3.42Å; R165-G196 PolarHBondContact O-N 3.06Å; G196-V219 CarbonylContact C-O 3.58Å; G196-V219 WeakPolarHBondContact CA-O 3.35Å
197	H	92.4	Very high	80.9	Confident	77 Å²	77	54.1 Å²	54.1	36%	0.356	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	152.1	-173.6	61.3	-95.7	0	0	0	114	T163 V219	T163-H197 CarbonylContact O-C 3.56Å; T163-H197 VanDerWaalsContact O-CA 3.25Å; T163-H197 WeakPolarHBondContact O-CA 3.33Å; H197-V219 PolarHBondContact N-O 3.34Å; H197-V219 PolarHBondContact O-N 2.75Å
198	V	90.7	Very high	78.9	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.018	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	118.7	166.4	-176.8	0	0	0	0	109.1	Y151 T163 R165 P216 Y217 L218	Y151-V198 HydrophobicContact CD2-CG1 3.85Å; Y151-V198 HydrophobicContact CG-CG1 4.35Å; T163-V198 WeakPolarHBondContact CB-O 3.34Å; T163-V198 PolarHBondContact O-N 2.98Å; R165-V198 HydrophobicContact CG-CG2 4.07Å; V198-P216 HydrophobicContact CG1-CB 3.92Å; V198-Y217 CarbonylContact C-O 3.55Å; V198-Y217 WeakPolarHBondContact CA-O 3.33Å; V198-L218 HydrophobicContact CG2-CD1 4.01Å
199	R	85.9	Confident	77	Confident	46 Å²	46	56.4 Å²	56.4	17%	0.174	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	136	174	-179.1	173.5	173.7	163.4	1.3	109.4	D75 Y217 S708	D75-R199 IonicContact OD1-CZ 3.8Å; D75-R199 IonicContact OD1-NH1 3.64Å; D75-R199 IonicContact OD1-NH2 2.72Å; D75-R199 PolarHBondContact OD1-NH2 2.9Å; D75-R199 IonicContact OD2-CZ 3.27Å; D75-R199 VanDerWaalsContact OD2-CZ 3.27Å; D75-R199 IonicContact OD2-NH1 2.72Å; D75-R199 PolarHBondContact OD2-NH1 2.8Å; D75-R199 IonicContact OD2-NH2 2.73Å; D75-R199 PolarHBondContact OD2-NH2 2.98Å; R199-Y217 PolarHBondContact N-O 3.49Å; R199-Y217 PolarHBondContact O-N 3.07Å; R199-S708 VanDerWaalsContact NH1-CB 3.26Å; R199-S708 PolarHBondContact NH1-OG 2.88Å
200	V	83	Confident	75.1	Confident	51 Å²	51	57.5 Å²	57.5	31%	0.309	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.7	-177.6	-177.9	0	0	0	0	110.3	Y151 P214 P216	Y151-V200 HydrophobicContact CD1-CG2 3.98Å; Y151-V200 HydrophobicContact CD2-CG2 3.82Å; Y151-V200 HydrophobicContact CE1-CG2 3.85Å; Y151-V200 HydrophobicContact CE2-CG2 3.68Å; Y151-V200 HydrophobicContact CG-CG2 3.97Å; V200-P214 HydrophobicContact CG1-CB 3.73Å; V200-P216 HydrophobicContact CG2-CB 4.35Å
201	H	72.5	Confident	73.3	Confident	15 Å²	15	63.1 Å²	63.1	7%	0.069	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	116.3	168.4	163.7	49.8	0	0	0	109.5	K70 I74 P214 V215 Y217	K70-H201 VanDerWaalsContact CE-NE2 3.3Å; K70-H201 WeakPolarHBondContact CE-NE2 3.33Å; I74-H201 HydrophobicContact CD1-CB 4.32Å; I74-H201 WeakPolarHBondContact CD1-ND1 3.42Å; H201-P214 CarbonylContact O-C 3.59Å; H201-P214 WeakPolarHBondContact O-CA 3.41Å; H201-P214 WeakPolarHBondContact O-CB 3.43Å; H201-V215 PolarHBondContact N-O 2.78Å; H201-V215 PolarHBondContact O-N 2.74Å; H201-Y217 HydrophobicContact CB-CD2 4.35Å; H201-Y217 HydrophobicContact CB-CE2 3.82Å
202	S	62.7	Low	71.7	Confident	86 Å²	86	67.4 Å²	67.4	60%	0.601	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-96.7	127.7	160.5	-176.9	0	0	0	0	108.6
203	S	56.9	Low	70.2	Confident	30 Å²	30	72.2 Å²	72.2	21%	0.21	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-77	124.7	173.2	-150.9	0	0	0	0	109.3	E212	S203-E212 WeakPolarHBondContact CB-OE2 3.3Å; S203-E212 PolarHBondContact OG-OE2 2.8Å
204	E	53.4	Low	69.1	Low	175 Å²	175	74.3 Å²	74.3	82%	0.818	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-68.9	167	169.1	-74.9	-103.1	121.2	0	0	110	S206	E204-S206 PolarHBondContact O-N 2.8Å
205	Q	45.3	Very low	68.4	Low	151 Å²	151	76.5 Å²	76.5	71%	0.706	44%	0.44	S	S	*	.			trans	-67	110.9	-161.9	-69.9	168.4	73.9	0	0	113.6
206	S	48.4	Very low	68	Low	46 Å²	46	75.1 Å²	75.1	32%	0.322	43%	0.429	S	S	.	.			trans	-53.6	143.8	159.4	174.8	0	0	0	0	110.4	E204 N208 G209	E204-S206 PolarHBondContact O-N 2.8Å; S206-N208 PolarHBondContact O-N 2.93Å; S206-G209 PolarHBondContact O-N 2.86Å
207	A	53.6	Low	67.8	Low	104 Å²	104	74.8 Å²	74.8	86%	0.86	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-20.1	-178.7	0	0	0	0	0	114
208	N	51	Low	67.9	Low	95 Å²	95	71.2 Å²	71.2	51%	0.508	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-1	177.8	-68.4	9.1	0	0	0	113.5	S206 H210 I762	S206-N208 PolarHBondContact O-N 2.93Å; N208-H210 PolarHBondContact O-N 2.87Å; N208-I762 HydrophobicContact CB-CG2 4.25Å; N208-I762 WeakPolarHBondContact CB-O 3.44Å; N208-I762 WeakPolarHBondContact CB-OXT 3.23Å; N208-I762 PolarHBondContact ND2-O 3.46Å
209	G	54.3	Low	68.1	Low	57 Å²	57	72.4 Å²	72.4	59%	0.588	41%	0.411	S	S	*	.			trans	79.2	-6.7	173.7	0	0	0	0	0	115.9	S206 K211	S206-G209 PolarHBondContact O-N 2.86Å; G209-K211 PolarHBondContact O-N 2.86Å
210	H	54	Low	68.6	Low	132 Å²	132	70.4 Å²	70.4	61%	0.611	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-69.2	122.9	166.9	-71.1	-85.2	0	0	0	110	N208 I762	N208-H210 PolarHBondContact O-N 2.87Å; H210-I762 WeakPolarHBondContact CB-OXT 3.28Å; H210-I762 PolarHBondContact CD2-OXT 3.4Å
211	K	57.6	Low	69.3	Low	157 Å²	157	70.7 Å²	70.7	68%	0.683	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-90	119.7	169.7	-65.2	-169.3	175.3	-164	0	108.7	G209	G209-K211 PolarHBondContact O-N 2.86Å
212	E	63.3	Low	70.5	Confident	96 Å²	96	70.1 Å²	70.1	45%	0.449	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-56.4	142.9	164.9	-71.6	-178.3	119.1	0	0	109.4	K70 S203	K70-E212 VanDerWaalsContact NZ-CD 3.26Å; K70-E212 IonicContact NZ-OE1 2.6Å; K70-E212 PolarHBondContact NZ-OE1 2.9Å; K70-E212 IonicContact NZ-OE2 3.74Å; K70-E212 PolarHBondContact NZ-OE2 3.05Å; S203-E212 WeakPolarHBondContact CB-OE2 3.3Å; S203-E212 PolarHBondContact OG-OE2 2.8Å
213	P	66.8	Low	72	Confident	101 Å²	101	68.5 Å²	68.5	66%	0.656	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-62.4	142.8	170.6	28.7	-34.2	0	0	0	109.6	V215	P213-V215 PolarHBondContact O-N 2.89Å
214	P	72.2	Confident	73.8	Confident	79 Å²	79	68.3 Å²	68.3	51%	0.513	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-70.3	125.8	-177.5	28.6	-34.3	0	0	0	110.9	V200 H201	V200-P214 HydrophobicContact CG1-CB 3.73Å; H201-P214 CarbonylContact O-C 3.59Å; H201-P214 WeakPolarHBondContact O-CA 3.41Å; H201-P214 WeakPolarHBondContact O-CB 3.43Å
215	V	81.6	Confident	75.6	Confident	47 Å²	47	60.2 Å²	60.2	29%	0.285	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.4	-174.2	-176.3	0	0	0	0	110	H201 P213 Y217	H201-V215 PolarHBondContact N-O 2.78Å; H201-V215 PolarHBondContact O-N 2.74Å; P213-V215 PolarHBondContact O-N 2.89Å; V215-Y217 HydrophobicContact CB-CE2 4.15Å; V215-Y217 HydrophobicContact CG1-CE1 3.89Å; V215-Y217 HydrophobicContact CG1-CE2 3.99Å
216	P	87.8	Confident	77.6	Confident	4 Å²	4	55.8 Å²	55.8	3%	0.026	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	144.1	173.4	33.1	-31.1	0	0	0	111.6	E106 Y151 V198 V200	E106-P216 HydrophobicContact CB-CG 3.91Å; E106-P216 VanDerWaalsContact CD-CG 3.49Å; E106-P216 HydrophobicContact CG-CG 3.83Å; E106-P216 PolarHBondContact N-O 3.32Å; E106-P216 VanDerWaalsContact OE2-CD 3.26Å; E106-P216 WeakPolarHBondContact OE2-CD 3.36Å; E106-P216 WeakPolarHBondContact OE2-CG 3.48Å; Y151-P216 HydrophobicContact CG-CB 4.3Å; V198-P216 HydrophobicContact CG1-CB 3.92Å; V200-P216 HydrophobicContact CG2-CB 4.35Å
217	Y	91.2	Very high	79.5	Confident	19 Å²	19	56.7 Å²	56.7	8%	0.075	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	135.4	175	-60.3	-72.7	0	0	0	109.2	L71 L104 I111 V198 R199 H201 V215	L71-Y217 HydrophobicContact CD1-CD1 4.08Å; L71-Y217 HydrophobicContact CD1-CD2 3.6Å; L71-Y217 HydrophobicContact CD1-CE2 4.08Å; L71-Y217 HydrophobicContact CD1-CG 3.58Å; L71-Y217 HydrophobicContact CG-CD2 4.28Å; L104-Y217 CarbonylContact O-C 3.57Å; L104-Y217 VanDerWaalsContact O-CA 3.26Å; L104-Y217 WeakPolarHBondContact O-CA 3.33Å; I111-Y217 HydrophobicContact CD1-CD1 3.37Å; I111-Y217 HydrophobicContact CD1-CE1 3.36Å; V198-Y217 CarbonylContact C-O 3.55Å; V198-Y217 WeakPolarHBondContact CA-O 3.33Å; R199-Y217 PolarHBondContact N-O 3.49Å; R199-Y217 PolarHBondContact O-N 3.07Å; H201-Y217 HydrophobicContact CB-CD2 4.35Å; H201-Y217 HydrophobicContact CB-CE2 3.82Å; V215-Y217 HydrophobicContact CB-CE2 4.15Å; V215-Y217 HydrophobicContact CG1-CE1 3.89Å; V215-Y217 HydrophobicContact CG1-CE2 3.99Å
218	L	94.3	Very high	81	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	113.9	177.8	175.4	51.6	0	0	0	109.7	V103 L104 L149 R165 V198 L220	V103-L218 WeakPolarHBondContact CA-O 3.26Å; L104-L218 HydrophobicContact CB-CB 4.35Å; L104-L218 PolarHBondContact N-O 2.89Å; L104-L218 PolarHBondContact O-N 2.71Å; L149-L218 HydrophobicContact CD2-CB 3.79Å; L149-L218 HydrophobicContact CD2-CD2 3.73Å; L149-L218 HydrophobicContact CD2-CG 4.37Å; L149-L218 HydrophobicContact CG-CD2 4.27Å; R165-L218 HydrophobicContact CB-CD1 4.11Å; R165-L218 HydrophobicContact CG-CD1 3.76Å; V198-L218 HydrophobicContact CG2-CD1 4.01Å; L218-L220 HydrophobicContact CD1-CD1 4.45Å; L218-L220 HydrophobicContact CD1-CD2 3.85Å; L218-L220 HydrophobicContact CD1-CG 3.93Å; L218-L220 HydrophobicContact CD2-CD1 4Å; L218-L220 HydrophobicContact CD2-CG 4.38Å; L218-L220 HydrophobicContact CG-CD1 3.94Å; L218-L220 HydrophobicContact CG-CD2 4.26Å; L218-L220 HydrophobicContact CG-CG 3.85Å
219	V	94.9	Very high	82.5	Confident	27 Å²	27	53.2 Å²	53.2	16%	0.164	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	125.1	176.7	-176.1	0	0	0	0	108.5	L101 V103 G196 H197	L101-V219 HydrophobicContact CD1-CG1 4.15Å; V103-V219 HydrophobicContact CG1-CG2 4.36Å; V103-V219 HydrophobicContact CG2-CG1 4.44Å; V103-V219 HydrophobicContact CG2-CG2 4.33Å; G196-V219 CarbonylContact C-O 3.58Å; G196-V219 WeakPolarHBondContact CA-O 3.35Å; H197-V219 PolarHBondContact N-O 3.34Å; H197-V219 PolarHBondContact O-N 2.75Å
220	L	96.7	Very high	83.6	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	140.4	-175.3	-67.4	169.9	0	0	0	112.1	L101 V102 R165 F167 C194 S195 L218	L101-L220 CarbonylContact C-O 3.52Å; L101-L220 WeakPolarHBondContact CA-O 3.46Å; L101-L220 WeakPolarHBondContact CD1-O 3.39Å; V102-L220 PolarHBondContact N-O 3.02Å; V102-L220 PolarHBondContact O-N 2.72Å; R165-L220 HydrophobicContact CB-CD2 4.35Å; F167-L220 HydrophobicContact CE1-CD1 3.98Å; F167-L220 HydrophobicContact CE1-CD2 3.97Å; F167-L220 HydrophobicContact CZ-CD1 3.81Å; C194-L220 HydrophobicContact CB-CD1 4.39Å; C194-L220 HydrophobicContact CB-CD2 4.45Å; S195-L220 CarbonylContact O-C 3.59Å; S195-L220 WeakPolarHBondContact O-CA 3.44Å; L218-L220 HydrophobicContact CD1-CD1 4.45Å; L218-L220 HydrophobicContact CD1-CD2 3.85Å; L218-L220 HydrophobicContact CD1-CG 3.93Å; L218-L220 HydrophobicContact CD2-CD1 4Å; L218-L220 HydrophobicContact CD2-CG 4.38Å; L218-L220 HydrophobicContact CG-CD1 3.94Å; L218-L220 HydrophobicContact CG-CD2 4.26Å; L218-L220 HydrophobicContact CG-CG 3.85Å
221	I	96.8	Very high	84.7	Confident	58 Å²	58	50.9 Å²	50.9	30%	0.297	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	131.6	155.7	-64.7	175.6	0	0	0	107.4	L97 L101 C194 S195 D223	L97-I221 HydrophobicContact CD1-CG2 3.84Å; L97-I221 HydrophobicContact CD2-CG2 4.42Å; L101-I221 HydrophobicContact CD1-CG1 4Å; C194-I221 WeakPolarHBondContact CA-O 3.4Å; S195-I221 PolarHBondContact N-O 2.87Å; S195-I221 PolarHBondContact O-N 2.89Å; I221-D223 WeakPolarHBondContact CG2-OD1 3.43Å
222	C	97.3	Very high	84.8	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.02	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	106.1	-175.3	-70.1	0	0	0	0	110.6	G99 F100 V102 L192 H193	G99-C222 WeakPolarHBondContact CA-O 3.3Å; F100-C222 HydrophobicContact CD1-CB 4.21Å; F100-C222 WeakPolarHBondContact CD1-O 3.18Å; F100-C222 HydrophobicContact CD2-CB 4.03Å; F100-C222 HydrophobicContact CE1-CB 3.92Å; F100-C222 HydrophobicContact CE2-CB 3.73Å; F100-C222 HydrophobicContact CG-CB 4.27Å; F100-C222 HydrophobicContact CZ-CB 3.69Å; F100-C222 PolarHBondContact N-O 3.06Å; F100-C222 WeakPolarHBondContact O-CB 3.37Å; F100-C222 PolarHBondContact O-N 2.86Å; V102-C222 HydrophobicContact CG2-CB 4.38Å; L192-C222 HydrophobicContact CD1-CB 4.25Å; H193-C222 CarbonylContact O-C 3.32Å; H193-C222 WeakPolarHBondContact O-CA 3.26Å
223	D	94.8	Very high	84.9	Confident	52 Å²	52	53 Å²	53	28%	0.278	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	120.8	-173.3	-63.5	-34.2	0	0	0	111.4	G99 L192 H193 I221 I225	G99-D223 WeakPolarHBondContact CA-OD1 3.49Å; L192-D223 CarbonylContact C-O 3.51Å; L192-D223 WeakPolarHBondContact CA-O 3.42Å; H193-D223 PolarHBondContact N-O 3.32Å; H193-D223 PolarHBondContact O-N 2.99Å; I221-D223 WeakPolarHBondContact CG2-OD1 3.43Å; D223-I225 PolarHBondContact O-N 2.94Å
224	P	94	Very high	85.1	Confident	26 Å²	26	53.9 Å²	53.9	17%	0.169	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	107.2	-175.1	31.4	-35.4	0	0	0	113	D98 C120 K190 L192 P226	D98-P224 WeakPolarHBondContact O-CD 3.16Å; C120-P224 HydrophobicContact CB-CG 4Å; K190-P224 VanDerWaalsContact CE-CB 3.46Å; K190-P224 HydrophobicContact CG-CB 4.49Å; L192-P224 HydrophobicContact CD2-CB 3.82Å; P224-P226 VanDerWaalsContact O-N 3.14Å
225	I	92.4	Very high	85.5	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.021	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-57.5	117.8	-174.8	-51.8	-179.4	0	0	0	111.1	F168 K190 V191 D223 Q297	F168-I225 HydrophobicContact CD1-CD1 3.99Å; F168-I225 HydrophobicContact CE1-CD1 3.96Å; K190-I225 PolarHBondContact NZ-O 3.29Å; V191-I225 HydrophobicContact CB-CD1 4.38Å; V191-I225 HydrophobicContact CG1-CD1 3.8Å; V191-I225 PolarHBondContact O-N 3.21Å; D223-I225 PolarHBondContact O-N 2.94Å; I225-Q297 HydrophobicContact CB-CB 4.34Å; I225-Q297 HydrophobicContact CD1-CB 4.07Å; I225-Q297 HydrophobicContact CG2-CB 4.19Å; I225-Q297 PolarHBondContact O-NE2 3.43Å; I225-Q297 PolarHBondContact O-OE1 3.46Å
226	P	87.6	Confident	85.5	Confident	58 Å²	58	54.4 Å²	54.4	38%	0.377	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-62.9	147	-175.7	26.4	-34.8	0	0	0	111.3	P224 Q297	P224-P226 VanDerWaalsContact O-N 3.14Å; P226-Q297 PolarHBondContact O-NE2 3.37Å
227	H	88.3	Confident	85.5	Confident	65 Å²	65	58.4 Å²	58.4	30%	0.301	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-89.7	133.4	174.2	-173.9	-93.3	0	0	0	108.8	S229 N230	H227-S229 PolarHBondContact CE1-OG 3.22Å; H227-S229 WeakPolarHBondContact ND1-CB 3.48Å; H227-S229 PolarHBondContact ND1-N 3.19Å; H227-S229 PolarHBondContact ND1-OG 2.65Å; H227-S229 PolarHBondContact O-N 3.26Å; H227-S229 VanDerWaalsContact O-N 3.08Å; H227-N230 WeakPolarHBondContact O-CB 3.16Å; H227-N230 PolarHBondContact O-N 3.24Å
228	P	84.5	Confident	85.5	Confident	29 Å²	29	62.9 Å²	62.9	19%	0.188	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-60.4	-27.2	-171.6	20.6	-32.5	0	0	0	114.1	N230 I231 T320 I322 V334	P228-N230 PolarHBondContact O-N 3.39Å; P228-I231 HydrophobicContact CB-CD1 4.46Å; P228-I231 PolarHBondContact O-N 3.31Å; P228-T320 HydrophobicContact CG-CG2 4.42Å; P228-I322 HydrophobicContact CG-CD1 4.13Å; P228-V334 HydrophobicContact CB-CG1 3.8Å; P228-V334 HydrophobicContact CG-CB 4.09Å; P228-V334 HydrophobicContact CG-CG1 3.84Å
229	S	81.4	Confident	85.4	Confident	97 Å²	97	63.3 Å²	63.3	68%	0.678	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-72.2	-4.4	173.9	-45.7	0	0	0	0	115.2	H227	H227-S229 PolarHBondContact CE1-OG 3.22Å; H227-S229 WeakPolarHBondContact ND1-CB 3.48Å; H227-S229 PolarHBondContact ND1-N 3.19Å; H227-S229 PolarHBondContact ND1-OG 2.65Å; H227-S229 PolarHBondContact O-N 3.26Å; H227-S229 VanDerWaalsContact O-N 3.08Å
230	N	78.1	Confident	85.4	Confident	76 Å²	76	62 Å²	62	41%	0.406	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-111.9	9.1	-179.4	-77.4	61.4	0	0	0	112.4	S177 H227 P228 E232	S177-N230 PolarHBondContact O-ND2 2.99Å; H227-N230 WeakPolarHBondContact O-CB 3.16Å; H227-N230 PolarHBondContact O-N 3.24Å; P228-N230 PolarHBondContact O-N 3.39Å; N230-E232 PolarHBondContact O-N 3.41Å; N230-E232 VanDerWaalsContact O-N 3.16Å
231	I	77.1	Confident	85.3	Confident	65 Å²	65	64 Å²	64	33%	0.333	36%	0.355	S	S	.	.			trans	-80.6	94.2	176	-59.1	176.3	0	0	0	108.2	P228 V233 L235 V336	P228-I231 HydrophobicContact CB-CD1 4.46Å; P228-I231 PolarHBondContact O-N 3.31Å; I231-V233 WeakPolarHBondContact CG2-O 3.45Å; I231-L235 HydrophobicContact CD1-CD2 4.47Å; I231-L235 HydrophobicContact CG2-CD2 3.95Å; I231-V336 HydrophobicContact CD1-CG2 3.81Å
232	E	59.6	Low	85.3	Confident	188 Å²	188	61.3 Å²	61.3	88%	0.879	34%	0.341	S	S	*	.			trans	-85.4	-16.4	-179.6	-61.7	-170.6	167.5	0	0	113.5	N230	N230-E232 PolarHBondContact O-N 3.41Å; N230-E232 VanDerWaalsContact O-N 3.16Å
233	V	65.6	Low	85.3	Confident	110 Å²	110	66.6 Å²	66.6	67%	0.667	36%	0.36	S	S	*	.	S	Bend	trans	-94.2	138.2	-179.2	-176.5	0	0	0	0	109.5	I231 L235	I231-V233 WeakPolarHBondContact CG2-O 3.45Å; V233-L235 PolarHBondContact O-N 3.18Å
234	P	71.4	Confident	85.4	Confident	118 Å²	118	64.4 Å²	64.4	77%	0.766	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-58.7	132.1	172.3	25.1	-34.6	0	0	0	111
235	L	79.3	Confident	85.6	Confident	45 Å²	45	64.9 Å²	64.9	24%	0.236	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-62.9	137.1	174.8	-62.2	177.6	0	0	0	110.2	I231 V233 T239 L241 R256 V336	I231-L235 HydrophobicContact CD1-CD2 4.47Å; I231-L235 HydrophobicContact CG2-CD2 3.95Å; V233-L235 PolarHBondContact O-N 3.18Å; L235-T239 HydrophobicContact CB-CG2 4.19Å; L235-T239 HydrophobicContact CD1-CG2 4.34Å; L235-T239 HydrophobicContact CD2-CG2 3.99Å; L235-T239 HydrophobicContact CG-CG2 4.4Å; L235-L241 HydrophobicContact CD1-CB 4.43Å; L235-R256 PolarHBondContact O-NH1 2.88Å; L235-V336 HydrophobicContact CD2-CG1 4.18Å
236	D	83.1	Confident	85.7	Confident	93 Å²	93	67.8 Å²	67.8	50%	0.497	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-56.7	161.9	177.9	179.9	46.9	0	0	0	113.1	K238 T239 R256	D236-K238 PolarHBondContact O-N 2.86Å; D236-K238 WeakPolarHBondContact OD2-CB 3.29Å; D236-K238 PolarHBondContact OD2-N 3.09Å; D236-T239 PolarHBondContact O-N 3.31Å; D236-T239 VanDerWaalsContact O-O 3.14Å; D236-R256 PolarHBondContact O-NH1 3.31Å
237	T	86.8	Confident	86.1	Confident	88 Å²	88	69.3 Å²	69.3	54%	0.54	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-33	177.2	59.2	0	0	0	0	112	T239	T237-T239 VanDerWaalsContact C-N 3.27Å; T237-T239 PolarHBondContact O-N 3.16Å
238	K	90.8	Very high	86.5	Confident	113 Å²	113	66.3 Å²	66.3	49%	0.491	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	5.7	175.3	-60.3	-175.3	176.6	-176.8	0	114.8	D236 V339	D236-K238 PolarHBondContact O-N 2.86Å; D236-K238 WeakPolarHBondContact OD2-CB 3.29Å; D236-K238 PolarHBondContact OD2-N 3.09Å; K238-V339 WeakPolarHBondContact O-CB 3.32Å; K238-V339 PolarHBondContact O-N 2.95Å
239	T	93.6	Very high	87.2	Confident	10 Å²	10	68 Å²	68	6%	0.061	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	120.2	-177.9	-53	0	0	0	0	110.6	L235 D236 T237 R256 V336 N337 F338	L235-T239 HydrophobicContact CB-CG2 4.19Å; L235-T239 HydrophobicContact CD1-CG2 4.34Å; L235-T239 HydrophobicContact CD2-CG2 3.99Å; L235-T239 HydrophobicContact CG-CG2 4.4Å; D236-T239 PolarHBondContact O-N 3.31Å; D236-T239 VanDerWaalsContact O-O 3.14Å; T237-T239 VanDerWaalsContact C-N 3.27Å; T237-T239 PolarHBondContact O-N 3.16Å; T239-R256 PolarHBondContact O-NE 2.72Å; T239-R256 PolarHBondContact O-NH1 3.48Å; T239-R256 VanDerWaalsContact O-NH1 3.07Å; T239-V336 HydrophobicContact CG2-CG1 3.66Å; T239-N337 WeakPolarHBondContact CA-O 3.42Å; T239-F338 HydrophobicContact CG2-CD1 3.65Å; T239-F338 HydrophobicContact CG2-CE1 3.71Å; T239-F338 HydrophobicContact CG2-CG 4.37Å; T239-F338 HydrophobicContact CG2-CZ 4.47Å; T239-F338 WeakPolarHBondContact OG1-CD1 3.38Å
240	F	94	Very high	88	Confident	1 Å²	1	63.7 Å²	63.7	0%	0.004	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	153.1	-179.8	76	-86.5	0	0	0	111.9	D254 R256 I257 L260 M261 N337 V339	F240-D254 HydrophobicContact CB-CB 4.34Å; F240-R256 HydrophobicContact CB-CB 4.27Å; F240-I257 HydrophobicContact CD2-CB 4.4Å; F240-I257 HydrophobicContact CD2-CD1 4.38Å; F240-I257 HydrophobicContact CE2-CB 4.49Å; F240-I257 HydrophobicContact CE2-CD1 3.65Å; F240-I257 HydrophobicContact CE2-CG1 4.41Å; F240-I257 HydrophobicContact CZ-CD1 3.77Å; F240-I257 HydrophobicContact CZ-CG1 4.47Å; F240-L260 HydrophobicContact CB-CD1 4.36Å; F240-L260 HydrophobicContact CD1-CD1 4.01Å; F240-M261 HydrophobicContact CE1-SD 4.44Å; F240-M261 HydrophobicContact CZ-SD 4.47Å; F240-N337 HydrophobicContact CD1-CB 3.78Å; F240-N337 HydrophobicContact CD2-CB 4.33Å; F240-N337 HydrophobicContact CE1-CB 3.45Å; F240-N337 VanDerWaalsContact CE1-CB 3.45Å; F240-N337 HydrophobicContact CE2-CB 4.05Å; F240-N337 WeakPolarHBondContact CE2-ND2 3.46Å; F240-N337 HydrophobicContact CG-CB 4.21Å; F240-N337 HydrophobicContact CZ-CB 3.6Å; F240-N337 WeakPolarHBondContact CZ-ND2 3.29Å; F240-N337 PolarHBondContact N-O 3.42Å; F240-N337 PolarHBondContact O-N 2.81Å; F240-V339 HydrophobicContact CD1-CG2 3.92Å; F240-V339 HydrophobicContact CE1-CG2 3.78Å
241	L	94.6	Very high	88.9	Confident	46 Å²	46	63.2 Å²	63.2	24%	0.241	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	140.8	178.8	-166.9	71.2	0	0	0	110.6	L235 Y252 D254 V334 V336	L235-L241 HydrophobicContact CD1-CB 4.43Å; L241-Y252 HydrophobicContact CD2-CE1 4.38Å; L241-D254 HydrophobicContact CB-CB 4.36Å; L241-D254 WeakPolarHBondContact O-CB 3.34Å; L241-D254 PolarHBondContact O-N 2.84Å; L241-V334 HydrophobicContact CD1-CG1 3.82Å; L241-V334 HydrophobicContact CG-CG1 4.49Å; L241-V336 HydrophobicContact CD1-CG2 3.87Å
242	S	96.7	Very high	89.9	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	156	168.6	57.6	0	0	0	0	111.2	H244 Y252 C335 N337	S242-H244 PolarHBondContact OG-NE2 3.3Å; S242-Y252 WeakPolarHBondContact CA-O 3.29Å; S242-C335 PolarHBondContact N-O 2.84Å; S242-C335 PolarHBondContact O-N 3.4Å; S242-C335 WeakPolarHBondContact OG-CB 3.3Å; S242-C335 PolarHBondContact OG-O 2.88Å; S242-N337 PolarHBondContact OG-ND2 2.88Å
243	R	97.4	Very high	91.6	Very high	115 Å²	115	55.8 Å²	55.8	43%	0.434	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135.6	175.5	-176.3	-169.5	-64.2	159.4	6.1	109.7	T251 Y252 C332 V333 V334	R243-T251 VanDerWaalsContact C-OG1 3.3Å; R243-T251 WeakPolarHBondContact CG-OG1 3.4Å; R243-T251 PolarHBondContact O-N 3.22Å; R243-T251 PolarHBondContact O-OG1 2.74Å; R243-Y252 HydrophobicContact CB-CD1 4.42Å; R243-Y252 PolarHBondContact N-O 3.13Å; R243-Y252 PolarHBondContact O-N 2.8Å; R243-C332 HydrophobicContact CG-CB 4.1Å; R243-V333 CarbonylContact C-O 3.57Å; R243-V333 VanDerWaalsContact CA-O 3.3Å; R243-V333 WeakPolarHBondContact CA-O 3.35Å; R243-V333 WeakPolarHBondContact CG-O 3.44Å; R243-V334 HydrophobicContact CB-CG2 4.45Å; R243-V334 HydrophobicContact CG-CG2 4.05Å
244	H	97.9	Very high	92.9	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.023	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	156.8	-174.2	-51.9	-84.7	0	0	0	112.8	S242 M248 K249 F250 V273 C332 V333	S242-H244 PolarHBondContact OG-NE2 3.3Å; H244-M248 HydrophobicContact CB-CE 4.33Å; H244-M248 HydrophobicContact CB-SD 4.33Å; H244-K249 CarbonylContact C-O 3.52Å; H244-K249 WeakPolarHBondContact CA-O 3.48Å; H244-K249 WeakPolarHBondContact CB-O 3.39Å; H244-F250 AromaticContact CE1-CD1 3.41Å; H244-F250 VanDerWaalsContact CE1-CD1 3.41Å; H244-F250 WeakPolarHBondContact CE1-CD1 3.41Å; H244-F250 AromaticContact CE1-CE1 3.53Å; H244-F250 AromaticContact CE1-CG 3.8Å; H244-F250 AromaticContact CE1-CZ 3.99Å; H244-F250 AromaticContact ND1-CD1 3.95Å; H244-F250 AromaticContact ND1-CG 3.9Å; H244-V273 WeakPolarHBondContact CE1-CG1 3.39Å; H244-C332 WeakPolarHBondContact O-CA 3.21Å; H244-C332 VanDerWaalsContact O-CB 3.23Å; H244-C332 WeakPolarHBondContact O-CB 3.45Å; H244-V333 HydrophobicContact CB-CB 4.3Å; H244-V333 PolarHBondContact N-O 3.04Å; H244-V333 PolarHBondContact O-N 2.87Å
245	T	97.5	Very high	94	Very high	37 Å²	37	53.8 Å²	53.8	23%	0.227	27%	0.265	C	S	.	.			trans	-65.4	172.1	161.8	59.7	0	0	0	0	111.2	D247 M248 K249 T251	T245-D247 WeakPolarHBondContact CB-OD1 3.32Å; T245-D247 PolarHBondContact O-N 2.83Å; T245-D247 PolarHBondContact OG1-OD1 2.83Å; T245-M248 PolarHBondContact O-N 3Å; T245-K249 HydrophobicContact CG2-CB 4.45Å; T245-K249 PolarHBondContact N-O 3.45Å; T245-K249 WeakPolarHBondContact OG1-CB 3.43Å; T245-K249 PolarHBondContact OG1-N 2.98Å; T245-K249 PolarHBondContact OG1-O 3.32Å; T245-T251 HydrophobicContact CG2-CG2 3.51Å
246	M	95.4	Very high	94.6	Very high	65 Å²	65	54.8 Å²	54.8	32%	0.32	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-19.1	175.5	-63.1	-55.1	-60.6	0	0	113.6	M248 F293 V321 P330 V333	M246-M248 VanDerWaalsContact C-N 3.29Å; M246-F293 HydrophobicContact CE-CD1 3.59Å; M246-F293 HydrophobicContact CE-CE1 3.49Å; M246-F293 VanDerWaalsContact CE-CE1 3.49Å; M246-F293 VanDerWaalsContact O-CZ 3.27Å; M246-F293 WeakPolarHBondContact O-CZ 3.44Å; M246-V321 HydrophobicContact CE-CG1 4.12Å; M246-V321 HydrophobicContact SD-CG1 4.32Å; M246-P330 HydrophobicContact CE-CB 3.72Å; M246-P330 HydrophobicContact CE-CG 4.18Å; M246-P330 HydrophobicContact SD-CB 3.89Å; M246-V333 HydrophobicContact SD-CG2 4.29Å
247	D	95.7	Very high	95.2	Very high	89 Å²	89	50.4 Å²	50.4	48%	0.476	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	21.2	168.8	64.1	-37	0	0	0	113.1	T245 K249	T245-D247 WeakPolarHBondContact CB-OD1 3.32Å; T245-D247 PolarHBondContact O-N 2.83Å; T245-D247 PolarHBondContact OG1-OD1 2.83Å; D247-K249 PolarHBondContact O-N 2.74Å; D247-K249 WeakPolarHBondContact OD2-CD 3.48Å; D247-K249 VanDerWaalsContact OD2-CE 3.3Å; D247-K249 WeakPolarHBondContact OD2-CE 3.3Å; D247-K249 IonicContact OD2-NZ 3.5Å; D247-K249 PolarHBondContact OD2-NZ 3.2Å
248	M	97.3	Very high	95.6	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	23%	0.232	C	C	.	.	S	Bend	trans	53.8	48.2	175.4	-61	-60.4	-61.2	0	0	114.1	H244 T245 M246 S272 V273 Y274 F293 V333	H244-M248 HydrophobicContact CB-CE 4.33Å; H244-M248 HydrophobicContact CB-SD 4.33Å; T245-M248 PolarHBondContact O-N 3Å; M246-M248 VanDerWaalsContact C-N 3.29Å; M248-S272 WeakPolarHBondContact O-CA 3.41Å; M248-S272 PolarHBondContact O-OG 3.37Å; M248-V273 HydrophobicContact CB-CG2 3.76Å; M248-V273 HydrophobicContact CE-CG1 4.36Å; M248-V273 HydrophobicContact CE-CG2 4.22Å; M248-V273 PolarHBondContact O-N 3.32Å; M248-Y274 HydrophobicContact CB-CE2 4.33Å; M248-F293 HydrophobicContact CG-CZ 4.07Å; M248-F293 HydrophobicContact SD-CZ 4.03Å; M248-V333 HydrophobicContact CE-CG1 4.5Å; M248-V333 HydrophobicContact SD-CB 4.2Å; M248-V333 HydrophobicContact SD-CG1 4.27Å; M248-V333 HydrophobicContact SD-CG2 3.93Å
249	K	98.1	Very high	95.7	Very high	64 Å²	64	51.1 Å²	51.1	28%	0.278	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-106.8	141.3	166.5	-65.9	168.6	177	144.3	0	111.6	H244 T245 D247 T251 N270 R271	H244-K249 CarbonylContact C-O 3.52Å; H244-K249 WeakPolarHBondContact CA-O 3.48Å; H244-K249 WeakPolarHBondContact CB-O 3.39Å; T245-K249 HydrophobicContact CG2-CB 4.45Å; T245-K249 PolarHBondContact N-O 3.45Å; T245-K249 WeakPolarHBondContact OG1-CB 3.43Å; T245-K249 PolarHBondContact OG1-N 2.98Å; T245-K249 PolarHBondContact OG1-O 3.32Å; D247-K249 PolarHBondContact O-N 2.74Å; D247-K249 WeakPolarHBondContact OD2-CD 3.48Å; D247-K249 VanDerWaalsContact OD2-CE 3.3Å; D247-K249 WeakPolarHBondContact OD2-CE 3.3Å; D247-K249 IonicContact OD2-NZ 3.5Å; D247-K249 PolarHBondContact OD2-NZ 3.2Å; K249-T251 PolarHBondContact O-N 2.94Å; K249-N270 WeakPolarHBondContact CD-O 3.23Å; K249-R271 CarbonylContact C-O 3.49Å; K249-R271 WeakPolarHBondContact CA-O 3.39Å; K249-R271 WeakPolarHBondContact CB-O 3.33Å
250	F	98.1	Very high	95.8	Very high	7 Å²	7	52 Å²	52	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	136.5	-180	-63.7	-100.4	0	0	0	111.6	H244 C253 L268 N270 R271 V273 Y276 M305	H244-F250 AromaticContact CE1-CD1 3.41Å; H244-F250 VanDerWaalsContact CE1-CD1 3.41Å; H244-F250 WeakPolarHBondContact CE1-CD1 3.41Å; H244-F250 AromaticContact CE1-CE1 3.53Å; H244-F250 AromaticContact CE1-CG 3.8Å; H244-F250 AromaticContact CE1-CZ 3.99Å; H244-F250 AromaticContact ND1-CD1 3.95Å; H244-F250 AromaticContact ND1-CG 3.9Å; F250-C253 HydrophobicContact CD1-CB 4.29Å; F250-L268 HydrophobicContact CB-CB 4.41Å; F250-L268 WeakPolarHBondContact CB-O 3.49Å; F250-L268 HydrophobicContact CD1-CB 4.24Å; F250-L268 HydrophobicContact CD2-CB 3.97Å; F250-L268 WeakPolarHBondContact CD2-O 3.38Å; F250-L268 HydrophobicContact CE1-CB 4.47Å; F250-L268 HydrophobicContact CE1-CD1 4.15Å; F250-L268 HydrophobicContact CE2-CB 4.24Å; F250-L268 HydrophobicContact CG-CB 3.98Å; F250-L268 HydrophobicContact CZ-CB 4.49Å; F250-L268 HydrophobicContact CZ-CD1 4.29Å; F250-N270 PolarHBondContact O-N 3.19Å; F250-R271 WeakPolarHBondContact CD2-O 3.49Å; F250-R271 PolarHBondContact N-O 3.16Å; F250-V273 HydrophobicContact CE2-CG1 4.01Å; F250-V273 HydrophobicContact CZ-CG1 4.2Å; F250-Y276 AromaticContact CE2-CD2 3.93Å; F250-Y276 HydrophobicContact CE2-CD2 3.93Å; F250-Y276 AromaticContact CE2-CE2 3.91Å; F250-Y276 HydrophobicContact CE2-CE2 3.91Å; F250-M305 HydrophobicContact CZ-CE 4.37Å
251	T	97.8	Very high	95.8	Very high	66 Å²	66	52 Å²	52	41%	0.405	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-15.2	171.6	60.9	0	0	0	0	112.2	R243 T245 K249	R243-T251 VanDerWaalsContact C-OG1 3.3Å; R243-T251 WeakPolarHBondContact CG-OG1 3.4Å; R243-T251 PolarHBondContact O-N 3.22Å; R243-T251 PolarHBondContact O-OG1 2.74Å; T245-T251 HydrophobicContact CG2-CG2 3.51Å; K249-T251 PolarHBondContact O-N 2.94Å
252	Y	97	Very high	95.7	Very high	92 Å²	92	51 Å²	51	36%	0.361	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	141.8	174	161.2	-97.4	0	0	0	108.2	L241 S242 R243	L241-Y252 HydrophobicContact CD2-CE1 4.38Å; S242-Y252 WeakPolarHBondContact CA-O 3.29Å; R243-Y252 HydrophobicContact CB-CD1 4.42Å; R243-Y252 PolarHBondContact N-O 3.13Å; R243-Y252 PolarHBondContact O-N 2.8Å
253	C	96	Very high	95.7	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.034	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	150.5	165.4	-162.3	0	0	0	0	109.3	F250 P265 L268	F250-C253 HydrophobicContact CD1-CB 4.29Å; C253-P265 HydrophobicContact CB-CB 4.33Å; C253-L268 HydrophobicContact CB-CD1 4.37Å
254	D	93.4	Very high	95.6	Very high	27 Å²	27	49.3 Å²	49.3	14%	0.144	25%	0.248	C	C	.	.			trans	-76.1	141.8	175.9	-171.3	5.6	0	0	0	111.2	F240 L241 R256 I257	F240-D254 HydrophobicContact CB-CB 4.34Å; L241-D254 HydrophobicContact CB-CB 4.36Å; L241-D254 WeakPolarHBondContact O-CB 3.34Å; L241-D254 PolarHBondContact O-N 2.84Å; D254-R256 PolarHBondContact O-N 3.19Å; D254-R256 VanDerWaalsContact O-N 3.08Å; D254-R256 IonicContact OD2-CZ 2.68Å; D254-R256 IonicContact OD2-NE 2.69Å; D254-R256 PolarHBondContact OD2-NE 3.05Å; D254-R256 IonicContact OD2-NH2 3.76Å; D254-R256 PolarHBondContact OD2-NH2 3.35Å; D254-I257 VanDerWaalsContact O-CG2 3.31Å; D254-I257 WeakPolarHBondContact O-CG2 3.37Å; D254-I257 PolarHBondContact O-N 3.27Å
255	E	93.6	Very high	95.5	Very high	160 Å²	160	50.3 Å²	50.3	75%	0.748	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-23	-172.4	-69.5	167.9	-165.5	0	0	113.2	I257 T258 P265	E255-I257 PolarHBondContact O-N 2.64Å; E255-T258 PolarHBondContact O-N 3.26Å; E255-T258 VanDerWaalsContact O-N 3.1Å; E255-P265 HydrophobicContact CG-CG 4.23Å
256	R	92	Very high	95.4	Very high	66 Å²	66	56.4 Å²	56.4	25%	0.249	28%	0.281	C	S	.	.	H	α-helix	trans	-56	-18.5	174.5	-73.7	-177.1	-80.1	-165.3	-12	114.7	L235 D236 T239 F240 D254 T258 E259 L260	L235-R256 PolarHBondContact O-NH1 2.88Å; D236-R256 PolarHBondContact O-NH1 3.31Å; T239-R256 PolarHBondContact O-NE 2.72Å; T239-R256 PolarHBondContact O-NH1 3.48Å; T239-R256 VanDerWaalsContact O-NH1 3.07Å; F240-R256 HydrophobicContact CB-CB 4.27Å; D254-R256 PolarHBondContact O-N 3.19Å; D254-R256 VanDerWaalsContact O-N 3.08Å; D254-R256 IonicContact OD2-CZ 2.68Å; D254-R256 IonicContact OD2-NE 2.69Å; D254-R256 PolarHBondContact OD2-NE 3.05Å; D254-R256 IonicContact OD2-NH2 3.76Å; D254-R256 PolarHBondContact OD2-NH2 3.35Å; R256-T258 PolarHBondContact O-N 3.47Å; R256-E259 PolarHBondContact O-N 3Å; R256-L260 HydrophobicContact CB-CD1 4.34Å; R256-L260 VanDerWaalsContact O-CG 3.32Å; R256-L260 WeakPolarHBondContact O-CG 3.46Å; R256-L260 PolarHBondContact O-N 2.99Å
257	I	95.3	Very high	95.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.8	-23.6	176.4	-166	161.4	0	0	0	113.3	F240 D254 E255 M261 G262 Y263 P265 L268 M305	F240-I257 HydrophobicContact CD2-CB 4.4Å; F240-I257 HydrophobicContact CD2-CD1 4.38Å; F240-I257 HydrophobicContact CE2-CB 4.49Å; F240-I257 HydrophobicContact CE2-CD1 3.65Å; F240-I257 HydrophobicContact CE2-CG1 4.41Å; F240-I257 HydrophobicContact CZ-CD1 3.77Å; F240-I257 HydrophobicContact CZ-CG1 4.47Å; D254-I257 VanDerWaalsContact O-CG2 3.31Å; D254-I257 WeakPolarHBondContact O-CG2 3.37Å; D254-I257 PolarHBondContact O-N 3.27Å; E255-I257 PolarHBondContact O-N 2.64Å; I257-M261 HydrophobicContact CD1-SD 4.12Å; I257-M261 HydrophobicContact CG1-CB 4.02Å; I257-M261 HydrophobicContact CG1-CG 4.24Å; I257-M261 HydrophobicContact CG1-SD 4.16Å; I257-M261 PolarHBondContact O-N 3.38Å; I257-G262 PolarHBondContact O-N 2.81Å; I257-Y263 CarbonylContact C-O 3.57Å; I257-Y263 VanDerWaalsContact C-O 3.32Å; I257-Y263 WeakPolarHBondContact CG2-O 3.29Å; I257-P265 HydrophobicContact CG2-CG 4.27Å; I257-L268 HydrophobicContact CD1-CD1 3.54Å; I257-L268 HydrophobicContact CG1-CD1 4.42Å; I257-L268 HydrophobicContact CG2-CD1 4.23Å; I257-M305 HydrophobicContact CD1-CE 4.36Å
258	T	94.9	Very high	95.2	Very high	56 Å²	56	52.3 Å²	52.3	34%	0.344	26%	0.261	S	S	.	.	H	α-helix	trans	-64.7	-45.1	172.2	-53.8	0	0	0	0	110.7	E255 R256 G262 Y263 D264	E255-T258 PolarHBondContact O-N 3.26Å; E255-T258 VanDerWaalsContact O-N 3.1Å; R256-T258 PolarHBondContact O-N 3.47Å; T258-G262 WeakPolarHBondContact O-CA 3.48Å; T258-G262 PolarHBondContact O-N 2.84Å; T258-Y263 WeakPolarHBondContact CA-O 3.39Å; T258-Y263 PolarHBondContact N-O 3.1Å; T258-Y263 PolarHBondContact OG1-O 2.84Å; T258-Y263 VanDerWaalsContact OG1-O 3.08Å; T258-D264 WeakPolarHBondContact CG2-OD1 3.4Å; T258-D264 PolarHBondContact OG1-OD1 2.94Å
259	E	94.1	Very high	95.2	Very high	160 Å²	160	56 Å²	56	75%	0.748	28%	0.28	S	S	*	.	H	α-helix	trans	-68.5	-42.4	177.1	-172.8	-176.7	173.5	0	0	112.2	R256	R256-E259 PolarHBondContact O-N 3Å
260	L	94.4	Very high	95.1	Very high	29 Å²	29	58.7 Å²	58.7	15%	0.152	30%	0.297	C	S	.	.	H	α-helix	trans	-80.7	-29.2	-172.2	-65.4	169.9	0	0	0	114.2	F240 R256 V339	F240-L260 HydrophobicContact CB-CD1 4.36Å; F240-L260 HydrophobicContact CD1-CD1 4.01Å; R256-L260 HydrophobicContact CB-CD1 4.34Å; R256-L260 VanDerWaalsContact O-CG 3.32Å; R256-L260 WeakPolarHBondContact O-CG 3.46Å; R256-L260 PolarHBondContact O-N 2.99Å; L260-V339 HydrophobicContact CD1-CG2 4.05Å
261	M	94.3	Very high	95	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	31%	0.311	C	S	.	.	H	α-helix	trans	-141.8	-4.8	-169.1	-59.3	-171.3	58.7	0	0	114.7	F240 I257 Y263 M305 L306 K308 V313	F240-M261 HydrophobicContact CE1-SD 4.44Å; F240-M261 HydrophobicContact CZ-SD 4.47Å; I257-M261 HydrophobicContact CD1-SD 4.12Å; I257-M261 HydrophobicContact CG1-CB 4.02Å; I257-M261 HydrophobicContact CG1-CG 4.24Å; I257-M261 HydrophobicContact CG1-SD 4.16Å; I257-M261 PolarHBondContact O-N 3.38Å; M261-Y263 VanDerWaalsContact C-N 3.28Å; M261-Y263 HydrophobicContact CB-CD2 4.01Å; M261-Y263 HydrophobicContact CE-CD2 4.47Å; M261-Y263 HydrophobicContact CE-CE2 4.33Å; M261-Y263 PolarHBondContact O-N 2.96Å; M261-M305 HydrophobicContact CE-CB 3.96Å; M261-M305 HydrophobicContact CE-CE 3.8Å; M261-M305 HydrophobicContact CE-CG 3.71Å; M261-M305 HydrophobicContact CE-SD 3.84Å; M261-M305 HydrophobicContact SD-CE 4.11Å; M261-M305 HydrophobicContact SD-SD 4.01Å; M261-L306 WeakPolarHBondContact CE-O 3.44Å; M261-K308 PolarHBondContact O-N 2.86Å; M261-V313 HydrophobicContact CE-CG2 3.58Å; M261-V313 HydrophobicContact CG-CG2 3.95Å; M261-V313 HydrophobicContact SD-CG2 3.72Å
262	G	93.6	Very high	95	Very high	24 Å²	24	60 Å²	60	25%	0.247	30%	0.297	C	S	.	.	S	Bend	trans	76.3	3.9	-179.3	0	0	0	0	0	115.6	I257 T258 K308	I257-G262 PolarHBondContact O-N 2.81Å; T258-G262 WeakPolarHBondContact O-CA 3.48Å; T258-G262 PolarHBondContact O-N 2.84Å; G262-K308 WeakPolarHBondContact O-CD 3.39Å
263	Y	95.5	Very high	95	Very high	12 Å²	12	55.9 Å²	55.9	5%	0.047	28%	0.282	C	S	.	.			trans	-88.9	137.4	174.6	-69.8	-76.2	0	0	0	111.3	I257 T258 M261 L268 Y276 L306 K308	I257-Y263 CarbonylContact C-O 3.57Å; I257-Y263 VanDerWaalsContact C-O 3.32Å; I257-Y263 WeakPolarHBondContact CG2-O 3.29Å; T258-Y263 WeakPolarHBondContact CA-O 3.39Å; T258-Y263 PolarHBondContact N-O 3.1Å; T258-Y263 PolarHBondContact OG1-O 2.84Å; T258-Y263 VanDerWaalsContact OG1-O 3.08Å; M261-Y263 VanDerWaalsContact C-N 3.28Å; M261-Y263 HydrophobicContact CB-CD2 4.01Å; M261-Y263 HydrophobicContact CE-CD2 4.47Å; M261-Y263 HydrophobicContact CE-CE2 4.33Å; M261-Y263 PolarHBondContact O-N 2.96Å; Y263-L268 HydrophobicContact CD1-CD2 3.87Å; Y263-L268 HydrophobicContact CD2-CD2 4.44Å; Y263-L268 HydrophobicContact CE1-CD2 4.39Å; Y263-L268 HydrophobicContact CG-CD2 3.9Å; Y263-Y276 HydrophobicContact CD1-CE1 4.42Å; Y263-Y276 HydrophobicContact CE1-CD1 4.19Å; Y263-Y276 AromaticContact CE1-CE1 3.74Å; Y263-Y276 HydrophobicContact CE1-CE1 3.74Å; Y263-Y276 HydrophobicContact CE2-CD1 4.17Å; Y263-Y276 HydrophobicContact CE2-CE1 4.49Å; Y263-Y276 AromaticContact CZ-CD1 3.73Å; Y263-Y276 AromaticContact CZ-CE1 3.78Å; Y263-L306 WeakPolarHBondContact CE2-O 3.42Å; Y263-K308 HydrophobicContact CD1-CB 3.73Å; Y263-K308 HydrophobicContact CD1-CD 3.98Å; Y263-K308 HydrophobicContact CD1-CG 3.79Å; Y263-K308 HydrophobicContact CD2-CB 4.17Å; Y263-K308 HydrophobicContact CE1-CB 3.66Å; Y263-K308 HydrophobicContact CE1-CD 4.42Å; Y263-K308 HydrophobicContact CE1-CG 3.75Å; Y263-K308 HydrophobicContact CE2-CB 4.11Å; Y263-K308 HydrophobicContact CG-CB 3.97Å; Y263-K308 HydrophobicContact CG-CG 4.47Å; Y263-K308 VanDerWaalsContact CZ-CA 3.48Å
264	D	95.8	Very high	95	Very high	69 Å²	69	59.9 Å²	59.9	37%	0.369	30%	0.297	S	S	.	.			trans	-85.3	144.3	169	-61.5	-61	0	0	0	109.7	T258 E266 D267 K308	T258-D264 WeakPolarHBondContact CG2-OD1 3.4Å; T258-D264 PolarHBondContact OG1-OD1 2.94Å; D264-E266 PolarHBondContact O-N 3.04Å; D264-D267 PolarHBondContact N-OD2 3.11Å; D264-D267 WeakPolarHBondContact O-CB 3.36Å; D264-D267 PolarHBondContact O-N 3.22Å; D264-K308 IonicContact OD2-NZ 3.64Å
265	P	95.7	Very high	95.1	Very high	26 Å²	26	61.9 Å²	61.9	17%	0.169	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.4	-174.9	-29.4	35.8	0	0	0	114.6	C253 E255 I257 L269	C253-P265 HydrophobicContact CB-CB 4.33Å; E255-P265 HydrophobicContact CG-CG 4.23Å; I257-P265 HydrophobicContact CG2-CG 4.27Å; P265-L269 WeakPolarHBondContact O-CG 3.47Å
266	E	95.5	Very high	95.2	Very high	164 Å²	164	54.6 Å²	54.6	77%	0.766	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-35.9	178.7	-57.8	-163.8	164.7	0	0	113.1	D264 L268 L269	D264-E266 PolarHBondContact O-N 3.04Å; E266-L268 PolarHBondContact O-N 3.23Å; E266-L269 PolarHBondContact O-N 2.98Å
267	D	92.6	Very high	95.4	Very high	69 Å²	69	52.3 Å²	52.3	37%	0.369	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-34.4	177.7	-72.2	-32.1	0	0	0	112.2	D264 K308	D264-D267 PolarHBondContact N-OD2 3.11Å; D264-D267 WeakPolarHBondContact O-CB 3.36Å; D264-D267 PolarHBondContact O-N 3.22Å; D267-K308 IonicContact OD1-NZ 2.65Å; D267-K308 VanDerWaalsContact OD2-CE 3.23Å; D267-K308 WeakPolarHBondContact OD2-CE 3.13Å; D267-K308 IonicContact OD2-NZ 2.69Å; D267-K308 PolarHBondContact OD2-NZ 3.26Å
268	L	95.4	Very high	95.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-21	-172.6	-57.3	176.8	0	0	0	112.4	F250 C253 I257 Y263 E266 N270 R271 Y276	F250-L268 HydrophobicContact CB-CB 4.41Å; F250-L268 WeakPolarHBondContact CB-O 3.49Å; F250-L268 HydrophobicContact CD1-CB 4.24Å; F250-L268 HydrophobicContact CD2-CB 3.97Å; F250-L268 WeakPolarHBondContact CD2-O 3.38Å; F250-L268 HydrophobicContact CE1-CB 4.47Å; F250-L268 HydrophobicContact CE1-CD1 4.15Å; F250-L268 HydrophobicContact CE2-CB 4.24Å; F250-L268 HydrophobicContact CG-CB 3.98Å; F250-L268 HydrophobicContact CZ-CB 4.49Å; F250-L268 HydrophobicContact CZ-CD1 4.29Å; C253-L268 HydrophobicContact CB-CD1 4.37Å; I257-L268 HydrophobicContact CD1-CD1 3.54Å; I257-L268 HydrophobicContact CG1-CD1 4.42Å; I257-L268 HydrophobicContact CG2-CD1 4.23Å; Y263-L268 HydrophobicContact CD1-CD2 3.87Å; Y263-L268 HydrophobicContact CD2-CD2 4.44Å; Y263-L268 HydrophobicContact CE1-CD2 4.39Å; Y263-L268 HydrophobicContact CG-CD2 3.9Å; E266-L268 PolarHBondContact O-N 3.23Å; L268-N270 PolarHBondContact O-N 2.97Å; L268-R271 WeakPolarHBondContact O-CB 3.44Å; L268-R271 PolarHBondContact O-N 3.08Å; L268-R271 VanDerWaalsContact O-N 3.08Å; L268-Y276 HydrophobicContact CD2-CD1 4.19Å; L268-Y276 HydrophobicContact CD2-CE1 3.52Å; L268-Y276 HydrophobicContact CD2-CE2 4.04Å; L268-Y276 VanDerWaalsContact CD2-CZ 3.44Å
269	L	96.6	Very high	95.4	Very high	80 Å²	80	54.5 Å²	54.5	42%	0.419	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-59.7	132.9	-171.4	-66	-179.3	0	0	0	111.8	P265 E266 R271	P265-L269 WeakPolarHBondContact O-CG 3.47Å; E266-L269 PolarHBondContact O-N 2.98Å; L269-R271 PolarHBondContact O-N 3.39Å
270	N	95.9	Very high	95.5	Very high	119 Å²	119	53.3 Å²	53.3	64%	0.636	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	4.2	-177.6	-162.3	38.8	0	0	0	115.4	K249 F250 L268	K249-N270 WeakPolarHBondContact CD-O 3.23Å; F250-N270 PolarHBondContact O-N 3.19Å; L268-N270 PolarHBondContact O-N 2.97Å
271	R	96.5	Very high	95.6	Very high	83 Å²	83	53 Å²	53	31%	0.313	28%	0.278	S	S	.	.			trans	-82.2	151.9	166.4	-56.9	-54.6	-148.5	96.5	14.9	110.8	K249 F250 L268 L269 E275 Y276 E353	K249-R271 CarbonylContact C-O 3.49Å; K249-R271 WeakPolarHBondContact CA-O 3.39Å; K249-R271 WeakPolarHBondContact CB-O 3.33Å; F250-R271 WeakPolarHBondContact CD2-O 3.49Å; F250-R271 PolarHBondContact N-O 3.16Å; L268-R271 WeakPolarHBondContact O-CB 3.44Å; L268-R271 PolarHBondContact O-N 3.08Å; L268-R271 VanDerWaalsContact O-N 3.08Å; L269-R271 PolarHBondContact O-N 3.39Å; R271-E275 IonicContact CZ-OE2 2.72Å; R271-E275 IonicContact NH1-OE2 3.83Å; R271-E275 PolarHBondContact NH1-OE2 3.2Å; R271-Y276 HydrophobicContact CB-CE2 3.8Å; R271-Y276 WeakPolarHBondContact CB-OH 3.28Å; R271-Y276 WeakPolarHBondContact CG-OH 3.37Å; R271-E353 IonicContact CZ-OE1 2.98Å; R271-E353 VanDerWaalsContact CZ-OE1 3.3Å; R271-E353 IonicContact NH1-OE1 2.74Å; R271-E353 PolarHBondContact NH1-OE1 3.13Å; R271-E353 IonicContact NH1-OE2 3.71Å; R271-E353 IonicContact NH2-OE1 3.52Å; R271-E353 PolarHBondContact NH2-OE1 3.15Å
272	S	96.8	Very high	95.6	Very high	17 Å²	17	54.8 Å²	54.8	12%	0.119	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-85.4	141.7	178.8	-165.2	0	0	0	0	111.7	M248 Y274 E275 Y276	M248-S272 WeakPolarHBondContact O-CA 3.41Å; M248-S272 PolarHBondContact O-OG 3.37Å; S272-Y274 PolarHBondContact O-N 3.43Å; S272-Y274 VanDerWaalsContact O-N 3.09Å; S272-Y274 WeakPolarHBondContact OG-CD2 3.47Å; S272-E275 WeakPolarHBondContact CA-OE1 2.97Å; S272-E275 WeakPolarHBondContact CB-OE1 3.44Å; S272-E275 PolarHBondContact N-OE1 3.09Å; S272-E275 WeakPolarHBondContact O-CB 3.35Å; S272-E275 PolarHBondContact O-N 3.32Å; S272-Y276 WeakPolarHBondContact O-CD2 3.41Å
273	V	96.6	Very high	95.6	Very high	7 Å²	7	59.3 Å²	59.3	4%	0.042	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-56.7	-28.3	176.5	-59.7	0	0	0	0	113	H244 M248 F250 E275 Y276 Y277	H244-V273 WeakPolarHBondContact CE1-CG1 3.39Å; M248-V273 HydrophobicContact CB-CG2 3.76Å; M248-V273 HydrophobicContact CE-CG1 4.36Å; M248-V273 HydrophobicContact CE-CG2 4.22Å; M248-V273 PolarHBondContact O-N 3.32Å; F250-V273 HydrophobicContact CE2-CG1 4.01Å; F250-V273 HydrophobicContact CZ-CG1 4.2Å; V273-E275 PolarHBondContact O-N 3.3Å; V273-Y276 PolarHBondContact O-N 3.39Å; V273-Y276 VanDerWaalsContact O-N 3.08Å; V273-Y277 HydrophobicContact CB-CE1 4.13Å; V273-Y277 HydrophobicContact CB-CE2 4.24Å; V273-Y277 HydrophobicContact CG2-CE1 4.45Å; V273-Y277 HydrophobicContact CG2-CE2 3.7Å; V273-Y277 WeakPolarHBondContact O-CD1 3.33Å; V273-Y277 PolarHBondContact O-N 3.09Å
274	Y	96.2	Very high	95.5	Very high	89 Å²	89	63.3 Å²	63.3	35%	0.349	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-67.7	-18.6	178.5	-60.9	-76.4	0	0	0	113.7	M248 S272 Y276 Y277 H289	M248-Y274 HydrophobicContact CB-CE2 4.33Å; S272-Y274 PolarHBondContact O-N 3.43Å; S272-Y274 VanDerWaalsContact O-N 3.09Å; S272-Y274 WeakPolarHBondContact OG-CD2 3.47Å; Y274-Y276 PolarHBondContact O-N 3.14Å; Y274-Y277 AromaticContact CD1-CD2 3.72Å; Y274-Y277 HydrophobicContact CD1-CD2 3.72Å; Y274-Y277 AromaticContact CD1-CE2 3.96Å; Y274-Y277 HydrophobicContact CD1-CE2 3.96Å; Y274-Y277 HydrophobicContact CE1-CD2 4.29Å; Y274-Y277 HydrophobicContact CE1-CE2 4.16Å; Y274-Y277 HydrophobicContact CG-CD2 4.39Å; Y274-H289 AromaticContact CE1-ND1 3.91Å; Y274-H289 AromaticContact CZ-ND1 3.51Å; Y274-H289 PolarHBondContact OH-ND1 3.38Å
275	E	95.1	Very high	95.5	Very high	69 Å²	69	60 Å²	60	32%	0.322	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-69.7	-24.4	172.2	-67.8	155.6	-119.6	0	0	111.5	R271 S272 V273	R271-E275 IonicContact CZ-OE2 2.72Å; R271-E275 IonicContact NH1-OE2 3.83Å; R271-E275 PolarHBondContact NH1-OE2 3.2Å; S272-E275 WeakPolarHBondContact CA-OE1 2.97Å; S272-E275 WeakPolarHBondContact CB-OE1 3.44Å; S272-E275 PolarHBondContact N-OE1 3.09Å; S272-E275 WeakPolarHBondContact O-CB 3.35Å; S272-E275 PolarHBondContact O-N 3.32Å; V273-E275 PolarHBondContact O-N 3.3Å
276	Y	95.6	Very high	95.5	Very high	7 Å²	7	61.1 Å²	61.1	3%	0.027	31%	0.314	C	S	.	.	S	Bend	trans	-106.8	-0	-176.4	-52.9	-84.5	0	0	0	114.1	F250 Y263 L268 R271 S272 V273 Y274 M305 L306	F250-Y276 AromaticContact CE2-CD2 3.93Å; F250-Y276 HydrophobicContact CE2-CD2 3.93Å; F250-Y276 AromaticContact CE2-CE2 3.91Å; F250-Y276 HydrophobicContact CE2-CE2 3.91Å; Y263-Y276 HydrophobicContact CD1-CE1 4.42Å; Y263-Y276 HydrophobicContact CE1-CD1 4.19Å; Y263-Y276 AromaticContact CE1-CE1 3.74Å; Y263-Y276 HydrophobicContact CE1-CE1 3.74Å; Y263-Y276 HydrophobicContact CE2-CD1 4.17Å; Y263-Y276 HydrophobicContact CE2-CE1 4.49Å; Y263-Y276 AromaticContact CZ-CD1 3.73Å; Y263-Y276 AromaticContact CZ-CE1 3.78Å; L268-Y276 HydrophobicContact CD2-CD1 4.19Å; L268-Y276 HydrophobicContact CD2-CE1 3.52Å; L268-Y276 HydrophobicContact CD2-CE2 4.04Å; L268-Y276 VanDerWaalsContact CD2-CZ 3.44Å; R271-Y276 HydrophobicContact CB-CE2 3.8Å; R271-Y276 WeakPolarHBondContact CB-OH 3.28Å; R271-Y276 WeakPolarHBondContact CG-OH 3.37Å; S272-Y276 WeakPolarHBondContact O-CD2 3.41Å; V273-Y276 PolarHBondContact O-N 3.39Å; V273-Y276 VanDerWaalsContact O-N 3.08Å; Y274-Y276 PolarHBondContact O-N 3.14Å; Y276-M305 HydrophobicContact CG-CE 4.42Å; Y276-M305 CarbonylContact O-C 3.6Å; Y276-M305 WeakPolarHBondContact O-CA 3.36Å; Y276-M305 WeakPolarHBondContact O-CG 3.35Å; Y276-L306 PolarHBondContact O-N 3.33Å
277	Y	96.8	Very high	95.5	Very high	18 Å²	18	59.3 Å²	59.3	7%	0.071	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-88	139.2	177.4	-68.8	-18	0	0	0	111.5	V273 Y274 A279 L285 H289 Y303	V273-Y277 HydrophobicContact CB-CE1 4.13Å; V273-Y277 HydrophobicContact CB-CE2 4.24Å; V273-Y277 HydrophobicContact CG2-CE1 4.45Å; V273-Y277 HydrophobicContact CG2-CE2 3.7Å; V273-Y277 WeakPolarHBondContact O-CD1 3.33Å; V273-Y277 PolarHBondContact O-N 3.09Å; Y274-Y277 AromaticContact CD1-CD2 3.72Å; Y274-Y277 HydrophobicContact CD1-CD2 3.72Å; Y274-Y277 AromaticContact CD1-CE2 3.96Å; Y274-Y277 HydrophobicContact CD1-CE2 3.96Å; Y274-Y277 HydrophobicContact CE1-CD2 4.29Å; Y274-Y277 HydrophobicContact CE1-CE2 4.16Å; Y274-Y277 HydrophobicContact CG-CD2 4.39Å; Y277-A279 PolarHBondContact O-N 3.39Å; Y277-L285 HydrophobicContact CD1-CD1 3.94Å; Y277-L285 HydrophobicContact CD2-CB 4.15Å; Y277-L285 HydrophobicContact CD2-CD1 3.45Å; Y277-L285 VanDerWaalsContact CD2-CD1 3.45Å; Y277-L285 HydrophobicContact CD2-CG 4.41Å; Y277-L285 HydrophobicContact CE1-CD1 4.15Å; Y277-L285 HydrophobicContact CE2-CB 3.94Å; Y277-L285 HydrophobicContact CE2-CD1 3.68Å; Y277-L285 HydrophobicContact CE2-CG 4.32Å; Y277-L285 HydrophobicContact CG-CD1 3.58Å; Y277-H289 AromaticContact CE2-CE1 3.84Å; Y277-H289 PolarHBondContact OH-CE1 3.29Å; Y277-Y303 HydrophobicContact CD1-CD2 4.1Å; Y277-Y303 AromaticContact CD1-CE2 3.62Å; Y277-Y303 HydrophobicContact CD1-CE2 3.62Å; Y277-Y303 HydrophobicContact CE1-CD2 4.19Å; Y277-Y303 AromaticContact CE1-CE2 3.41Å; Y277-Y303 HydrophobicContact CE1-CE2 3.41Å; Y277-Y303 VanDerWaalsContact CE1-CE2 3.41Å; Y277-Y303 AromaticContact CE1-CZ 3.86Å
278	H	96.6	Very high	95.6	Very high	25 Å²	25	56.2 Å²	56.2	12%	0.116	29%	0.287	C	S	.	.			trans	-63.5	129.2	171.3	-172	-84.6	0	0	0	110.7	L280 D281 R304 L306	H278-L280 VanDerWaalsContact C-N 3.28Å; H278-L280 PolarHBondContact ND1-N 2.87Å; H278-L280 PolarHBondContact O-N 2.81Å; H278-L280 VanDerWaalsContact O-N 3.09Å; H278-D281 PolarHBondContact O-N 3.45Å; H278-R304 HydrophobicContact CB-CB 3.6Å; H278-R304 WeakPolarHBondContact CB-O 3.45Å; H278-R304 PolarHBondContact N-O 3.07Å; H278-L306 HydrophobicContact CB-CD2 4.44Å
279	A	94.5	Very high	95.7	Very high	77 Å²	77	56.4 Å²	56.4	64%	0.636	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-54.1	-38.6	-169.2	0	0	0	0	0	114.3	Y277 D281 S282	Y277-A279 PolarHBondContact O-N 3.39Å; A279-D281 PolarHBondContact O-N 2.67Å; A279-S282 WeakPolarHBondContact O-CB 3.35Å; A279-S282 PolarHBondContact O-N 2.83Å; A279-S282 PolarHBondContact O-OG 2.99Å
280	L	95.8	Very high	95.6	Very high	134 Å²	134	58.9 Å²	58.9	70%	0.702	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-63.8	-21.5	177.7	-64.6	178.7	0	0	0	114.4	H278	H278-L280 VanDerWaalsContact C-N 3.28Å; H278-L280 PolarHBondContact ND1-N 2.87Å; H278-L280 PolarHBondContact O-N 2.81Å; H278-L280 VanDerWaalsContact O-N 3.09Å
281	D	96.9	Very high	95.6	Very high	22 Å²	22	56.3 Å²	56.3	12%	0.118	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-97.2	-10.3	-175.8	-54.9	-16.8	0	0	0	111.4	H278 A279 D283 Y284 L285 R304	H278-D281 PolarHBondContact O-N 3.45Å; A279-D281 PolarHBondContact O-N 2.67Å; D281-D283 PolarHBondContact O-N 2.8Å; D281-Y284 PolarHBondContact O-N 3.43Å; D281-L285 HydrophobicContact CB-CD1 4.17Å; D281-L285 WeakPolarHBondContact O-CG 3.31Å; D281-L285 PolarHBondContact O-N 3.02Å; D281-R304 IonicContact OD1-CZ 2.99Å; D281-R304 IonicContact OD1-NE 2.71Å; D281-R304 PolarHBondContact OD1-NE 3.12Å; D281-R304 IonicContact OD1-NH2 2.7Å; D281-R304 PolarHBondContact OD1-NH2 3.38Å; D281-R304 WeakPolarHBondContact OD2-CB 3.37Å; D281-R304 IonicContact OD2-CZ 3.3Å; D281-R304 PolarHBondContact OD2-N 3.46Å; D281-R304 IonicContact OD2-NE 3.86Å; D281-R304 PolarHBondContact OD2-NE 2.63Å; D281-R304 IonicContact OD2-NH2 3.51Å
282	S	92.9	Very high	95.6	Very high	40 Å²	40	52.4 Å²	52.4	28%	0.28	27%	0.266	S	S	.	.	H	α-helix	trans	-61.1	-41.3	-173.1	64.8	0	0	0	0	114.3	A279 Y284 L285 T286	A279-S282 WeakPolarHBondContact O-CB 3.35Å; A279-S282 PolarHBondContact O-N 2.83Å; A279-S282 PolarHBondContact O-OG 2.99Å; S282-Y284 VanDerWaalsContact C-N 3.28Å; S282-Y284 PolarHBondContact O-N 3.37Å; S282-L285 PolarHBondContact O-N 3.16Å; S282-T286 VanDerWaalsContact O-CB 3.26Å; S282-T286 WeakPolarHBondContact O-CB 3.49Å; S282-T286 PolarHBondContact O-N 3.5Å; S282-T286 PolarHBondContact O-OG1 2.85Å
283	D	93.6	Very high	95.5	Very high	118 Å²	118	55.2 Å²	55.2	63%	0.631	28%	0.277	S	S	*	.	H	α-helix	trans	-60.8	-36.5	176.6	-86.7	-25.2	0	0	0	112.5	D281 K287	D281-D283 PolarHBondContact O-N 2.8Å; D283-K287 WeakPolarHBondContact O-CD 3.45Å; D283-K287 VanDerWaalsContact O-CG 3.32Å; D283-K287 WeakPolarHBondContact O-CG 3.48Å; D283-K287 PolarHBondContact O-N 3.28Å
284	Y	94	Very high	95.5	Very high	97 Å²	97	57.8 Å²	57.8	38%	0.38	30%	0.299	S	S	.	.	H	α-helix	trans	-75.9	-48.7	178.5	171.2	-104.2	0	0	0	110.8	D281 S282 T286 K287 T288 G301	D281-Y284 PolarHBondContact O-N 3.43Å; S282-Y284 VanDerWaalsContact C-N 3.28Å; S282-Y284 PolarHBondContact O-N 3.37Å; Y284-T286 VanDerWaalsContact C-N 3.28Å; Y284-T286 PolarHBondContact O-N 3.15Å; Y284-K287 WeakPolarHBondContact O-CB 3.22Å; Y284-K287 PolarHBondContact O-N 3.42Å; Y284-K287 VanDerWaalsContact O-N 3.09Å; Y284-T288 PolarHBondContact O-N 3.03Å; Y284-T288 PolarHBondContact O-OG1 3.29Å; Y284-G301 PolarHBondContact OH-N 2.87Å
285	L	96.3	Very high	95.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.4	-37	178.6	-67.1	168.4	0	0	0	112.2	Y277 D281 S282 K287 T288 H289 T300 Y303	Y277-L285 HydrophobicContact CD1-CD1 3.94Å; Y277-L285 HydrophobicContact CD2-CB 4.15Å; Y277-L285 HydrophobicContact CD2-CD1 3.45Å; Y277-L285 VanDerWaalsContact CD2-CD1 3.45Å; Y277-L285 HydrophobicContact CD2-CG 4.41Å; Y277-L285 HydrophobicContact CE1-CD1 4.15Å; Y277-L285 HydrophobicContact CE2-CB 3.94Å; Y277-L285 HydrophobicContact CE2-CD1 3.68Å; Y277-L285 HydrophobicContact CE2-CG 4.32Å; Y277-L285 HydrophobicContact CG-CD1 3.58Å; D281-L285 HydrophobicContact CB-CD1 4.17Å; D281-L285 WeakPolarHBondContact O-CG 3.31Å; D281-L285 PolarHBondContact O-N 3.02Å; S282-L285 PolarHBondContact O-N 3.16Å; L285-K287 PolarHBondContact O-N 3.47Å; L285-T288 WeakPolarHBondContact O-CB 3.26Å; L285-T288 PolarHBondContact O-N 3.39Å; L285-H289 PolarHBondContact O-N 3.15Å; L285-H289 PolarHBondContact O-ND1 3.16Å; L285-T300 HydrophobicContact CD2-CG2 3.97Å; L285-Y303 HydrophobicContact CD1-CD2 3.64Å; L285-Y303 HydrophobicContact CD1-CE2 4.3Å; L285-Y303 HydrophobicContact CD1-CG 3.8Å; L285-Y303 HydrophobicContact CD2-CD1 3.73Å; L285-Y303 HydrophobicContact CD2-CD2 4.29Å; L285-Y303 HydrophobicContact CD2-CE1 4.28Å; L285-Y303 HydrophobicContact CD2-CG 3.74Å; L285-Y303 HydrophobicContact CG-CG 4.31Å
286	T	95.3	Very high	95.4	Very high	48 Å²	48	51.2 Å²	51.2	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-61.3	-42.9	173.8	-59.4	0	0	0	0	111.7	S282 Y284 H289 H290	S282-T286 VanDerWaalsContact O-CB 3.26Å; S282-T286 WeakPolarHBondContact O-CB 3.49Å; S282-T286 PolarHBondContact O-N 3.5Å; S282-T286 PolarHBondContact O-OG1 2.85Å; Y284-T286 VanDerWaalsContact C-N 3.28Å; Y284-T286 PolarHBondContact O-N 3.15Å; T286-H289 PolarHBondContact O-N 3.2Å; T286-H290 PolarHBondContact O-N 3.05Å; T286-H290 PolarHBondContact O-ND1 3.11Å
287	K	94.9	Very high	95.5	Very high	127 Å²	127	51.8 Å²	51.8	55%	0.552	28%	0.276	S	S	*	.	H	α-helix	trans	-64.4	-44	174.3	-68.7	162.6	-170.8	165.7	0	111.3	D283 Y284 L285 H289 H290 H291	D283-K287 WeakPolarHBondContact O-CD 3.45Å; D283-K287 VanDerWaalsContact O-CG 3.32Å; D283-K287 WeakPolarHBondContact O-CG 3.48Å; D283-K287 PolarHBondContact O-N 3.28Å; Y284-K287 WeakPolarHBondContact O-CB 3.22Å; Y284-K287 PolarHBondContact O-N 3.42Å; Y284-K287 VanDerWaalsContact O-N 3.09Å; L285-K287 PolarHBondContact O-N 3.47Å; K287-H289 VanDerWaalsContact C-N 3.28Å; K287-H289 PolarHBondContact O-N 3.11Å; K287-H290 WeakPolarHBondContact O-CA 3.34Å; K287-H290 WeakPolarHBondContact O-CB 3.46Å; K287-H290 PolarHBondContact O-N 2.9Å; K287-H291 PolarHBondContact O-CD2 2.89Å; K287-H291 PolarHBondContact O-N 3.25Å
288	T	95.9	Very high	95.5	Very high	3 Å²	3	51 Å²	51	2%	0.018	27%	0.273	C	S	.	.	H	α-helix	trans	-58.7	-37.8	175.5	-61.9	0	0	0	0	112.2	Y284 L285 H291 L292 V298 T300	Y284-T288 PolarHBondContact O-N 3.03Å; Y284-T288 PolarHBondContact O-OG1 3.29Å; L285-T288 WeakPolarHBondContact O-CB 3.26Å; L285-T288 PolarHBondContact O-N 3.39Å; T288-H291 PolarHBondContact O-N 3.28Å; T288-L292 PolarHBondContact O-N 2.99Å; T288-V298 HydrophobicContact CG2-CB 4.33Å; T288-V298 HydrophobicContact CG2-CG1 3.56Å; T288-V298 HydrophobicContact CG2-CG2 3.76Å; T288-T300 HydrophobicContact CG2-CG2 3.92Å
289	H	96.4	Very high	95.4	Very high	5 Å²	5	50.4 Å²	50.4	2%	0.023	27%	0.271	C	S	.	.	H	α-helix	trans	-70	-33	172.2	-67.3	155.6	0	0	0	113.7	Y274 Y277 L285 T286 K287 H291 L292 F293	Y274-H289 AromaticContact CE1-ND1 3.91Å; Y274-H289 AromaticContact CZ-ND1 3.51Å; Y274-H289 PolarHBondContact OH-ND1 3.38Å; Y277-H289 AromaticContact CE2-CE1 3.84Å; Y277-H289 PolarHBondContact OH-CE1 3.29Å; L285-H289 PolarHBondContact O-N 3.15Å; L285-H289 PolarHBondContact O-ND1 3.16Å; T286-H289 PolarHBondContact O-N 3.2Å; K287-H289 VanDerWaalsContact C-N 3.28Å; K287-H289 PolarHBondContact O-N 3.11Å; H289-H291 VanDerWaalsContact C-N 3.34Å; H289-L292 WeakPolarHBondContact O-CB 3.48Å; H289-L292 PolarHBondContact O-N 3.05Å; H289-F293 HydrophobicContact CB-CE2 4.28Å; H289-F293 WeakPolarHBondContact O-CD2 3.49Å; H289-F293 PolarHBondContact O-N 3.27Å
290	H	95.3	Very high	95.4	Very high	132 Å²	132	47 Å²	47	61%	0.611	24%	0.242	S	C	*	.	H	α-helix	trans	-62.3	-42.1	169.3	-74.1	76.8	0	0	0	111.3	T286 K287 F293 A294	T286-H290 PolarHBondContact O-N 3.05Å; T286-H290 PolarHBondContact O-ND1 3.11Å; K287-H290 WeakPolarHBondContact O-CA 3.34Å; K287-H290 WeakPolarHBondContact O-CB 3.46Å; K287-H290 PolarHBondContact O-N 2.9Å; H290-F293 PolarHBondContact O-N 3.2Å; H290-A294 VanDerWaalsContact O-CB 3.27Å; H290-A294 WeakPolarHBondContact O-CB 3.19Å; H290-A294 PolarHBondContact O-N 3.28Å
291	H	95.4	Very high	95.2	Very high	65 Å²	65	41.8 Å²	41.8	30%	0.301	22%	0.221	S	C	.	.	H	α-helix	trans	-63.4	-41.2	173.5	-64.5	-67.7	0	0	0	112.3	K287 T288 H289 F293 A294 K295 V298	K287-H291 PolarHBondContact O-CD2 2.89Å; K287-H291 PolarHBondContact O-N 3.25Å; T288-H291 PolarHBondContact O-N 3.28Å; H289-H291 VanDerWaalsContact C-N 3.34Å; H291-F293 PolarHBondContact O-N 2.88Å; H291-A294 PolarHBondContact O-N 3.26Å; H291-K295 WeakPolarHBondContact O-CB 3.4Å; H291-K295 PolarHBondContact O-N 2.87Å; H291-V298 HydrophobicContact CB-CG2 4.07Å
292	L	96.8	Very high	95.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-55	-49.4	174.6	176.3	62.2	0	0	0	112.1	T288 H289 G296 V298 A319 V321 V333	T288-L292 PolarHBondContact O-N 2.99Å; H289-L292 WeakPolarHBondContact O-CB 3.48Å; H289-L292 PolarHBondContact O-N 3.05Å; L292-G296 VanDerWaalsContact O-CA 3.22Å; L292-G296 WeakPolarHBondContact O-CA 3.26Å; L292-G296 PolarHBondContact O-N 3.21Å; L292-V298 HydrophobicContact CB-CB 4.16Å; L292-V298 HydrophobicContact CB-CG1 3.8Å; L292-V298 HydrophobicContact CD1-CB 4.49Å; L292-V298 HydrophobicContact CD1-CG1 4.22Å; L292-V298 HydrophobicContact CG-CG1 4.45Å; L292-A319 HydrophobicContact CD1-CB 3.89Å; L292-A319 HydrophobicContact CD2-CB 3.78Å; L292-A319 HydrophobicContact CG-CB 4.46Å; L292-V321 HydrophobicContact CD1-CG2 3.87Å; L292-V321 HydrophobicContact CG-CG2 3.95Å; L292-V333 HydrophobicContact CD2-CG1 3.82Å; L292-V333 HydrophobicContact CD2-CG2 4.21Å
293	F	95.6	Very high	95.4	Very high	77 Å²	77	44.6 Å²	44.6	34%	0.338	23%	0.229	S	C	.	.	H	α-helix	trans	-74.9	-28.6	-178.8	-60.3	-51.6	0	0	0	113.1	M246 M248 H289 H290 H291 V321 V333	M246-F293 HydrophobicContact CE-CD1 3.59Å; M246-F293 HydrophobicContact CE-CE1 3.49Å; M246-F293 VanDerWaalsContact CE-CE1 3.49Å; M246-F293 VanDerWaalsContact O-CZ 3.27Å; M246-F293 WeakPolarHBondContact O-CZ 3.44Å; M248-F293 HydrophobicContact CG-CZ 4.07Å; M248-F293 HydrophobicContact SD-CZ 4.03Å; H289-F293 HydrophobicContact CB-CE2 4.28Å; H289-F293 WeakPolarHBondContact O-CD2 3.49Å; H289-F293 PolarHBondContact O-N 3.27Å; H290-F293 PolarHBondContact O-N 3.2Å; H291-F293 PolarHBondContact O-N 2.88Å; F293-V321 HydrophobicContact CD1-CG2 4.22Å; F293-V333 HydrophobicContact CE1-CG2 3.87Å; F293-V333 HydrophobicContact CZ-CG2 4.46Å
294	A	94.9	Very high	95.6	Very high	61 Å²	61	41.2 Å²	41.2	50%	0.504	21%	0.207	S	C	.	.	H	α-helix	trans	-78.4	-31.5	177	0	0	0	0	0	114.1	R170 H290 H291	R170-A294 PolarHBondContact NH1-O 2.69Å; R170-A294 PolarHBondContact NH2-O 2.87Å; H290-A294 VanDerWaalsContact O-CB 3.27Å; H290-A294 WeakPolarHBondContact O-CB 3.19Å; H290-A294 PolarHBondContact O-N 3.28Å; H291-A294 PolarHBondContact O-N 3.26Å
295	K	95.6	Very high	95.8	Very high	12 Å²	12	36.9 Å²	36.9	5%	0.052	19%	0.19	C	C	.	.	H	α-helix	trans	-115.6	-19.5	-172.1	-60.7	174.2	-170.2	-86	0	114.3	D141 E144 F168 V191 H291	D141-K295 VanDerWaalsContact CG-NZ 3.32Å; D141-K295 IonicContact OD1-NZ 2.92Å; D141-K295 PolarHBondContact OD1-NZ 2.89Å; D141-K295 IonicContact OD2-NZ 2.7Å; E144-K295 VanDerWaalsContact CD-NZ 3.29Å; E144-K295 IonicContact OE1-NZ 3.58Å; E144-K295 PolarHBondContact OE1-NZ 2.91Å; E144-K295 VanDerWaalsContact OE2-CE 3.3Å; E144-K295 WeakPolarHBondContact OE2-CE 3.16Å; E144-K295 IonicContact OE2-NZ 3.26Å; E144-K295 PolarHBondContact OE2-NZ 2.94Å; F168-K295 HydrophobicContact CB-CD 3.58Å; F168-K295 WeakPolarHBondContact O-CD 3.38Å; F168-K295 VanDerWaalsContact O-CE 3.23Å; F168-K295 WeakPolarHBondContact O-CE 3.32Å; F168-K295 PolarHBondContact O-NZ 3.5Å; V191-K295 VanDerWaalsContact CG2-O 3.3Å; V191-K295 WeakPolarHBondContact CG2-O 3.49Å; H291-K295 WeakPolarHBondContact O-CB 3.4Å; H291-K295 PolarHBondContact O-N 2.87Å
296	G	94.9	Very high	95.8	Very high	8 Å²	8	37.2 Å²	37.2	8%	0.082	19%	0.192	C	C	.	.	S	Bend	trans	95.8	-20.5	173.7	0	0	0	0	0	115.4	L292 V321	L292-G296 VanDerWaalsContact O-CA 3.22Å; L292-G296 WeakPolarHBondContact O-CA 3.26Å; L292-G296 PolarHBondContact O-N 3.21Å; G296-V321 PolarHBondContact O-N 2.92Å
297	Q	96.4	Very high	95.8	Very high	19 Å²	19	35 Å²	35	9%	0.089	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	154.8	170.9	-50.9	-171.4	-97.9	0	0	109.2	V191 I225 P226 A319 T320	V191-Q297 HydrophobicContact CB-CB 3.95Å; V191-Q297 HydrophobicContact CB-CG 4.34Å; V191-Q297 HydrophobicContact CG1-CB 4.27Å; V191-Q297 HydrophobicContact CG2-CB 3.86Å; V191-Q297 HydrophobicContact CG2-CG 3.98Å; I225-Q297 HydrophobicContact CB-CB 4.34Å; I225-Q297 HydrophobicContact CD1-CB 4.07Å; I225-Q297 HydrophobicContact CG2-CB 4.19Å; I225-Q297 PolarHBondContact O-NE2 3.43Å; I225-Q297 PolarHBondContact O-OE1 3.46Å; P226-Q297 PolarHBondContact O-NE2 3.37Å; Q297-A319 CarbonylContact C-O 3.58Å; Q297-A319 WeakPolarHBondContact CA-O 3.29Å; Q297-T320 HydrophobicContact CG-CG2 4Å; Q297-T320 PolarHBondContact NE2-OG1 2.95Å
298	V	96.8	Very high	95.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	155.3	171.6	84.9	0	0	0	0	110.9	F168 T288 H291 L292 A319	F168-V298 HydrophobicContact CD1-CG2 4.19Å; F168-V298 HydrophobicContact CD2-CG2 3.78Å; F168-V298 HydrophobicContact CE1-CG2 3.9Å; F168-V298 HydrophobicContact CE2-CG2 3.47Å; F168-V298 VanDerWaalsContact CE2-CG2 3.47Å; F168-V298 HydrophobicContact CG-CG2 4.15Å; F168-V298 HydrophobicContact CZ-CG2 3.55Å; T288-V298 HydrophobicContact CG2-CB 4.33Å; T288-V298 HydrophobicContact CG2-CG1 3.56Å; T288-V298 HydrophobicContact CG2-CG2 3.76Å; H291-V298 HydrophobicContact CB-CG2 4.07Å; L292-V298 HydrophobicContact CB-CB 4.16Å; L292-V298 HydrophobicContact CB-CG1 3.8Å; L292-V298 HydrophobicContact CD1-CB 4.49Å; L292-V298 HydrophobicContact CD1-CG1 4.22Å; L292-V298 HydrophobicContact CG-CG1 4.45Å; V298-A319 HydrophobicContact CG1-CB 4.25Å; V298-A319 PolarHBondContact N-O 2.83Å; V298-A319 PolarHBondContact O-N 3.34Å
299	T	95.6	Very high	95.5	Very high	13 Å²	13	37.4 Å²	37.4	8%	0.08	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	130.1	164.9	-49.6	0	0	0	0	107.3	F168 E316 T317 Q318	F168-T299 WeakPolarHBondContact CZ-O 3.5Å; T299-E316 HydrophobicContact CG2-CG 4.36Å; T299-T317 CarbonylContact C-O 3.6Å; T299-T317 WeakPolarHBondContact CA-O 3.42Å; T299-Q318 HydrophobicContact CG2-CG 3.86Å
300	T	95.1	Very high	95.4	Very high	6 Å²	6	37.3 Å²	37.3	4%	0.037	18%	0.184	C	C	.	.			trans	-71.6	155.8	169.2	71.4	0	0	0	0	109.7	L285 T288 Y303 E316 T317	L285-T300 HydrophobicContact CD2-CG2 3.97Å; T288-T300 HydrophobicContact CG2-CG2 3.92Å; T300-Y303 HydrophobicContact CG2-CD1 4.43Å; T300-Y303 HydrophobicContact CG2-CE1 4.26Å; T300-E316 WeakPolarHBondContact O-CG 3.49Å; T300-T317 PolarHBondContact N-O 3.47Å; T300-T317 PolarHBondContact OG1-N 2.77Å
301	G	91.2	Very high	95.4	Very high	24 Å²	24	31 Å²	31	25%	0.247	16%	0.155	C	C	.	.			trans	-66	179.4	151.5	0	0	0	0	0	111.1	Y284 Y303	Y284-G301 PolarHBondContact OH-N 2.87Å; G301-Y303 PolarHBondContact O-N 3.08Å
302	Q	96.3	Very high	95.5	Very high	117 Å²	117	28.3 Å²	28.3	55%	0.547	14%	0.143	S	C	.	.	S	Bend	trans	-68.5	127.7	174	-57.1	179.5	-3.8	0	0	109.5	W314 V315 L340	Q302-W314 HydrophobicContact CB-CE3 4.14Å; Q302-W314 HydrophobicContact CB-CZ3 4.45Å; Q302-V315 WeakPolarHBondContact CA-O 3.41Å; Q302-L340 HydrophobicContact CB-CD1 4.32Å; Q302-L340 HydrophobicContact CG-CD1 3.71Å
303	Y	97.8	Very high	95.5	Very high	5 Å²	5	28.3 Å²	28.3	2%	0.02	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	164.4	179.4	74.4	-88.8	0	0	0	111.2	Y277 L285 T300 G301 M305 W314 V315 T317	Y277-Y303 HydrophobicContact CD1-CD2 4.1Å; Y277-Y303 AromaticContact CD1-CE2 3.62Å; Y277-Y303 HydrophobicContact CD1-CE2 3.62Å; Y277-Y303 HydrophobicContact CE1-CD2 4.19Å; Y277-Y303 AromaticContact CE1-CE2 3.41Å; Y277-Y303 HydrophobicContact CE1-CE2 3.41Å; Y277-Y303 VanDerWaalsContact CE1-CE2 3.41Å; Y277-Y303 AromaticContact CE1-CZ 3.86Å; L285-Y303 HydrophobicContact CD1-CD2 3.64Å; L285-Y303 HydrophobicContact CD1-CE2 4.3Å; L285-Y303 HydrophobicContact CD1-CG 3.8Å; L285-Y303 HydrophobicContact CD2-CD1 3.73Å; L285-Y303 HydrophobicContact CD2-CD2 4.29Å; L285-Y303 HydrophobicContact CD2-CE1 4.28Å; L285-Y303 HydrophobicContact CD2-CG 3.74Å; L285-Y303 HydrophobicContact CG-CG 4.31Å; T300-Y303 HydrophobicContact CG2-CD1 4.43Å; T300-Y303 HydrophobicContact CG2-CE1 4.26Å; G301-Y303 PolarHBondContact O-N 3.08Å; Y303-M305 HydrophobicContact CE2-CB 3.91Å; Y303-M305 HydrophobicContact CE2-CG 4.42Å; Y303-W314 WeakPolarHBondContact O-CA 3.36Å; Y303-V315 HydrophobicContact CD1-CB 4.41Å; Y303-V315 VanDerWaalsContact CD1-O 3.28Å; Y303-V315 WeakPolarHBondContact CD1-O 3.22Å; Y303-V315 HydrophobicContact CE1-CB 3.89Å; Y303-V315 HydrophobicContact CE1-CG1 3.94Å; Y303-V315 HydrophobicContact CE2-CB 4.18Å; Y303-V315 PolarHBondContact N-O 2.93Å; Y303-V315 PolarHBondContact O-N 3.37Å; Y303-T317 PolarHBondContact OH-OG1 2.96Å
304	R	97.8	Very high	95.6	Very high	46 Å²	46	28 Å²	28	17%	0.174	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.7	179.5	-62.8	166.2	-75.4	-168.4	-12.5	110.7	H278 D281 F312 V313 W314	H278-R304 HydrophobicContact CB-CB 3.6Å; H278-R304 WeakPolarHBondContact CB-O 3.45Å; H278-R304 PolarHBondContact N-O 3.07Å; D281-R304 IonicContact OD1-CZ 2.99Å; D281-R304 IonicContact OD1-NE 2.71Å; D281-R304 PolarHBondContact OD1-NE 3.12Å; D281-R304 IonicContact OD1-NH2 2.7Å; D281-R304 PolarHBondContact OD1-NH2 3.38Å; D281-R304 WeakPolarHBondContact OD2-CB 3.37Å; D281-R304 IonicContact OD2-CZ 3.3Å; D281-R304 PolarHBondContact OD2-N 3.46Å; D281-R304 IonicContact OD2-NE 3.86Å; D281-R304 PolarHBondContact OD2-NE 2.63Å; D281-R304 IonicContact OD2-NH2 3.51Å; R304-F312 HydrophobicContact CB-CB 4.24Å; R304-F312 HydrophobicContact CB-CD2 3.68Å; R304-F312 HydrophobicContact CB-CE2 4.3Å; R304-F312 HydrophobicContact CB-CG 4.06Å; R304-F312 HydrophobicContact CG-CD2 3.47Å; R304-F312 VanDerWaalsContact CG-CD2 3.47Å; R304-F312 HydrophobicContact CG-CE2 3.59Å; R304-F312 HydrophobicContact CG-CG 4.24Å; R304-F312 HydrophobicContact CG-CZ 4.43Å; R304-V313 WeakPolarHBondContact CA-O 3.37Å; R304-W314 HydrophobicContact CG-CD2 3.96Å; R304-W314 HydrophobicContact CG-CE3 3.85Å; R304-W314 HydrophobicContact CG-CH2 3.71Å; R304-W314 HydrophobicContact CG-CZ2 3.79Å; R304-W314 HydrophobicContact CG-CZ3 3.73Å
305	M	96.8	Very high	95.8	Very high	6 Å²	6	25.1 Å²	25.1	3%	0.03	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	130	171.7	-162.8	177.7	154.3	0	0	108.9	F250 I257 M261 Y276 Y303 F312 V313 V315	F250-M305 HydrophobicContact CZ-CE 4.37Å; I257-M305 HydrophobicContact CD1-CE 4.36Å; M261-M305 HydrophobicContact CE-CB 3.96Å; M261-M305 HydrophobicContact CE-CE 3.8Å; M261-M305 HydrophobicContact CE-CG 3.71Å; M261-M305 HydrophobicContact CE-SD 3.84Å; M261-M305 HydrophobicContact SD-CE 4.11Å; M261-M305 HydrophobicContact SD-SD 4.01Å; Y276-M305 HydrophobicContact CG-CE 4.42Å; Y276-M305 CarbonylContact O-C 3.6Å; Y276-M305 WeakPolarHBondContact O-CA 3.36Å; Y276-M305 WeakPolarHBondContact O-CG 3.35Å; Y303-M305 HydrophobicContact CE2-CB 3.91Å; Y303-M305 HydrophobicContact CE2-CG 4.42Å; M305-F312 CarbonylContact O-C 3.57Å; M305-F312 VanDerWaalsContact O-CA 3.24Å; M305-F312 WeakPolarHBondContact O-CA 3.43Å; M305-F312 WeakPolarHBondContact O-CB 3.43Å; M305-V313 HydrophobicContact CB-CG2 4.33Å; M305-V313 PolarHBondContact N-O 2.97Å; M305-V313 PolarHBondContact O-N 2.87Å; M305-V315 HydrophobicContact CB-CG2 3.78Å
306	L	96.8	Very high	95.8	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.042	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	145.8	-178.3	-56.3	-174.6	0	0	0	110.6	M261 Y263 Y276 H278 F312 L350 S351	M261-L306 WeakPolarHBondContact CE-O 3.44Å; Y263-L306 WeakPolarHBondContact CE2-O 3.42Å; Y276-L306 PolarHBondContact O-N 3.33Å; H278-L306 HydrophobicContact CB-CD2 4.44Å; L306-F312 HydrophobicContact CD2-CB 4.22Å; L306-L350 HydrophobicContact CD1-CB 4.36Å; L306-L350 HydrophobicContact CD2-CB 3.78Å; L306-L350 HydrophobicContact CD2-CD1 3.77Å; L306-L350 HydrophobicContact CD2-CG 4.43Å; L306-S351 VanDerWaalsContact CD1-CB 3.47Å
307	A	96	Very high	95.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.114	C	C	.	.			trans	-105.4	154	177.2	0	0	0	0	0	111.8	R309 G310 G311 I343 Q354	A307-R309 VanDerWaalsContact C-N 3.33Å; A307-R309 PolarHBondContact O-N 2.8Å; A307-R309 VanDerWaalsContact O-N 3.17Å; A307-G310 PolarHBondContact O-N 3.03Å; A307-G311 PolarHBondContact N-O 3Å; A307-I343 HydrophobicContact CB-CD1 3.95Å; A307-I343 HydrophobicContact CB-CG1 4.1Å; A307-I343 HydrophobicContact CB-CG2 3.95Å; A307-Q354 WeakPolarHBondContact O-CG 3.45Å; A307-Q354 PolarHBondContact O-NE2 3.42Å
308	K	94.2	Very high	95.9	Very high	25 Å²	25	26 Å²	26	11%	0.109	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-39	-165.1	-169.1	177.3	-174.2	180	0	114.4	M261 G262 Y263 D264 D267 Q354 E357	M261-K308 PolarHBondContact O-N 2.86Å; G262-K308 WeakPolarHBondContact O-CD 3.39Å; Y263-K308 HydrophobicContact CD1-CB 3.73Å; Y263-K308 HydrophobicContact CD1-CD 3.98Å; Y263-K308 HydrophobicContact CD1-CG 3.79Å; Y263-K308 HydrophobicContact CD2-CB 4.17Å; Y263-K308 HydrophobicContact CE1-CB 3.66Å; Y263-K308 HydrophobicContact CE1-CD 4.42Å; Y263-K308 HydrophobicContact CE1-CG 3.75Å; Y263-K308 HydrophobicContact CE2-CB 4.11Å; Y263-K308 HydrophobicContact CG-CB 3.97Å; Y263-K308 HydrophobicContact CG-CG 4.47Å; Y263-K308 VanDerWaalsContact CZ-CA 3.48Å; D264-K308 IonicContact OD2-NZ 3.64Å; D267-K308 IonicContact OD1-NZ 2.65Å; D267-K308 VanDerWaalsContact OD2-CE 3.23Å; D267-K308 WeakPolarHBondContact OD2-CE 3.13Å; D267-K308 IonicContact OD2-NZ 2.69Å; D267-K308 PolarHBondContact OD2-NZ 3.26Å; K308-Q354 WeakPolarHBondContact O-CA 3.2Å; K308-E357 WeakPolarHBondContact CE-OE1 3.45Å; K308-E357 IonicContact NZ-OE1 2.89Å; K308-E357 PolarHBondContact NZ-OE1 3.36Å
309	R	90.9	Very high	95.9	Very high	157 Å²	157	26.1 Å²	26.1	59%	0.592	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.2	7.3	-172.6	-59.2	-170.9	-178.9	-67.3	-15.5	114.8	A307 E357	A307-R309 VanDerWaalsContact C-N 3.33Å; A307-R309 PolarHBondContact O-N 2.8Å; A307-R309 VanDerWaalsContact O-N 3.17Å; R309-E357 IonicContact CZ-OE2 3.21Å; R309-E357 IonicContact NH1-OE2 3.67Å; R309-E357 PolarHBondContact NH1-OE2 3.07Å; R309-E357 IonicContact NH2-OE2 3.27Å; R309-E357 PolarHBondContact NH2-OE2 3.49Å
310	G	92.7	Very high	96	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.021	12%	0.116	C	C	.	.	S	Bend	trans	120.3	165.7	-172.6	0	0	0	0	0	112.1	A307 E346	A307-G310 PolarHBondContact O-N 3.03Å; G310-E346 CarbonylContact C-O 3.39Å; G310-E346 WeakPolarHBondContact CA-O 3.17Å
311	G	96	Very high	96	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.116	C	C	.	.	S	Bend	trans	69.2	-163.3	-177.6	0	0	0	0	0	114.7	A307 Q344 E345 L348 Q354	A307-G311 PolarHBondContact N-O 3Å; G311-Q344 CarbonylContact C-O 3.55Å; G311-Q344 WeakPolarHBondContact CA-O 3.23Å; G311-E345 VanDerWaalsContact CA-O 3.24Å; G311-E345 WeakPolarHBondContact CA-O 3.46Å; G311-E345 PolarHBondContact N-O 2.98Å; G311-L348 PolarHBondContact N-O 3.02Å; G311-Q354 PolarHBondContact O-NE2 3.14Å
312	F	97.1	Very high	96.2	Very high	9 Å²	9	26.3 Å²	26.3	4%	0.039	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	162.3	-179	63.6	-92.4	0	0	0	112.3	R304 M305 L306 W314 Q344 E345 L350	R304-F312 HydrophobicContact CB-CB 4.24Å; R304-F312 HydrophobicContact CB-CD2 3.68Å; R304-F312 HydrophobicContact CB-CE2 4.3Å; R304-F312 HydrophobicContact CB-CG 4.06Å; R304-F312 HydrophobicContact CG-CD2 3.47Å; R304-F312 VanDerWaalsContact CG-CD2 3.47Å; R304-F312 HydrophobicContact CG-CE2 3.59Å; R304-F312 HydrophobicContact CG-CG 4.24Å; R304-F312 HydrophobicContact CG-CZ 4.43Å; M305-F312 CarbonylContact O-C 3.57Å; M305-F312 VanDerWaalsContact O-CA 3.24Å; M305-F312 WeakPolarHBondContact O-CA 3.43Å; M305-F312 WeakPolarHBondContact O-CB 3.43Å; L306-F312 HydrophobicContact CD2-CB 4.22Å; F312-W314 HydrophobicContact CE2-CZ2 4.4Å; F312-W314 AromaticContact CE2-NE1 3.65Å; F312-Q344 HydrophobicContact CD2-CB 4.32Å; F312-Q344 HydrophobicContact CE1-CB 4.33Å; F312-Q344 HydrophobicContact CE2-CB 3.88Å; F312-Q344 HydrophobicContact CE2-CG 4.41Å; F312-Q344 HydrophobicContact CZ-CB 3.89Å; F312-Q344 PolarHBondContact N-O 3.39Å; F312-Q344 PolarHBondContact O-N 3.01Å; F312-E345 HydrophobicContact CE1-CB 4.33Å; F312-E345 HydrophobicContact CE1-CG 4.2Å; F312-L350 HydrophobicContact CD1-CD1 3.8Å
313	V	97.4	Very high	96	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	149.2	169	-67.6	0	0	0	0	110.4	M261 R304 M305 V315 V339 I343	M261-V313 HydrophobicContact CE-CG2 3.58Å; M261-V313 HydrophobicContact CG-CG2 3.95Å; M261-V313 HydrophobicContact SD-CG2 3.72Å; R304-V313 WeakPolarHBondContact CA-O 3.37Å; M305-V313 HydrophobicContact CB-CG2 4.33Å; M305-V313 PolarHBondContact N-O 2.97Å; M305-V313 PolarHBondContact O-N 2.87Å; V313-V315 HydrophobicContact CG2-CG2 3.77Å; V313-V339 HydrophobicContact CB-CG1 4.28Å; V313-I343 HydrophobicContact CG1-CB 4.37Å; V313-I343 HydrophobicContact CG1-CG1 3.89Å
314	W	98.1	Very high	95.6	Very high	70 Å²	70	28.3 Å²	28.3	27%	0.265	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	128.2	168.4	-71.7	94.8	0	0	0	110.3	Q302 Y303 R304 F312 L340 S341	Q302-W314 HydrophobicContact CB-CE3 4.14Å; Q302-W314 HydrophobicContact CB-CZ3 4.45Å; Y303-W314 WeakPolarHBondContact O-CA 3.36Å; R304-W314 HydrophobicContact CG-CD2 3.96Å; R304-W314 HydrophobicContact CG-CE3 3.85Å; R304-W314 HydrophobicContact CG-CH2 3.71Å; R304-W314 HydrophobicContact CG-CZ2 3.79Å; R304-W314 HydrophobicContact CG-CZ3 3.73Å; F312-W314 HydrophobicContact CE2-CZ2 4.4Å; F312-W314 AromaticContact CE2-NE1 3.65Å; W314-L340 HydrophobicContact CB-CB 4.04Å; W314-L340 PolarHBondContact O-N 3.16Å; W314-S341 PolarHBondContact N-OG 3.04Å
315	V	97.9	Very high	95	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.8	-177.7	-172.3	0	0	0	0	109.8	Q302 Y303 M305 V313 N337 F338	Q302-V315 WeakPolarHBondContact CA-O 3.41Å; Y303-V315 HydrophobicContact CD1-CB 4.41Å; Y303-V315 VanDerWaalsContact CD1-O 3.28Å; Y303-V315 WeakPolarHBondContact CD1-O 3.22Å; Y303-V315 HydrophobicContact CE1-CB 3.89Å; Y303-V315 HydrophobicContact CE1-CG1 3.94Å; Y303-V315 HydrophobicContact CE2-CB 4.18Å; Y303-V315 PolarHBondContact N-O 2.93Å; Y303-V315 PolarHBondContact O-N 3.37Å; M305-V315 HydrophobicContact CB-CG2 3.78Å; V313-V315 HydrophobicContact CG2-CG2 3.77Å; V315-N337 HydrophobicContact CG1-CB 4.17Å; V315-F338 WeakPolarHBondContact CA-O 3.45Å
316	E	96.9	Very high	94.6	Very high	17 Å²	17	43 Å²	43	8%	0.079	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	138	161	-165.7	-174.6	99.6	0	0	109.1	T299 T300 F338 L340 R701	T299-E316 HydrophobicContact CG2-CG 4.36Å; T300-E316 WeakPolarHBondContact O-CG 3.49Å; E316-F338 PolarHBondContact N-O 2.87Å; E316-F338 WeakPolarHBondContact O-CD2 3.48Å; E316-F338 PolarHBondContact O-N 2.9Å; E316-L340 HydrophobicContact CB-CD1 4.31Å; E316-R701 IonicContact OE1-CZ 2.8Å; E316-R701 VanDerWaalsContact OE1-CZ 3.27Å; E316-R701 IonicContact OE1-NH1 3.59Å; E316-R701 PolarHBondContact OE1-NH1 2.77Å; E316-R701 IonicContact OE1-NH2 3.1Å; E316-R701 PolarHBondContact OE1-NH2 2.88Å; E316-R701 IonicContact OE2-CZ 3.53Å; E316-R701 IonicContact OE2-NH1 2.72Å; E316-R701 PolarHBondContact OE2-NH1 2.6Å; E316-R701 IonicContact OE2-NH2 2.76Å
317	T	96.8	Very high	94.3	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	126.9	-173.6	-68.4	0	0	0	0	111.4	T299 T300 Y303 A319 C335 V336 N337	T299-T317 CarbonylContact C-O 3.6Å; T299-T317 WeakPolarHBondContact CA-O 3.42Å; T300-T317 PolarHBondContact N-O 3.47Å; T300-T317 PolarHBondContact OG1-N 2.77Å; Y303-T317 PolarHBondContact OH-OG1 2.96Å; T317-A319 HydrophobicContact CG2-CB 4.28Å; T317-C335 HydrophobicContact CG2-CB 3.69Å; T317-V336 WeakPolarHBondContact CA-O 3.25Å; T317-N337 WeakPolarHBondContact CB-OD1 3.31Å; T317-N337 WeakPolarHBondContact CG2-OD1 3.43Å; T317-N337 PolarHBondContact OG1-OD1 2.68Å
318	Q	95.8	Very high	93.9	Very high	37 Å²	37	51.4 Å²	51.4	17%	0.173	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	110.1	164.1	-71.9	177.3	3.7	0	0	108.9	T299 C335 V336 F338	T299-Q318 HydrophobicContact CG2-CG 3.86Å; Q318-C335 WeakPolarHBondContact O-CA 3.41Å; Q318-V336 PolarHBondContact N-O 2.98Å; Q318-V336 PolarHBondContact O-N 3.2Å; Q318-F338 HydrophobicContact CB-CE2 4.36Å; Q318-F338 HydrophobicContact CG-CE2 3.99Å
319	A	96.9	Very high	93.8	Very high	2 Å²	2	56 Å²	56	2%	0.017	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	143	-178.6	0	0	0	0	0	111.3	L292 Q297 V298 T317 V333 V334 C335	L292-A319 HydrophobicContact CD1-CB 3.89Å; L292-A319 HydrophobicContact CD2-CB 3.78Å; L292-A319 HydrophobicContact CG-CB 4.46Å; Q297-A319 CarbonylContact C-O 3.58Å; Q297-A319 WeakPolarHBondContact CA-O 3.29Å; V298-A319 HydrophobicContact CG1-CB 4.25Å; V298-A319 PolarHBondContact N-O 2.83Å; V298-A319 PolarHBondContact O-N 3.34Å; T317-A319 HydrophobicContact CG2-CB 4.28Å; A319-V333 HydrophobicContact CB-CG1 4.13Å; A319-V334 CarbonylContact C-O 3.52Å; A319-V334 WeakPolarHBondContact CA-O 3.24Å; A319-C335 VanDerWaalsContact CB-SG 3.57Å
320	T	96.9	Very high	93.9	Very high	4 Å²	4	51 Å²	51	3%	0.025	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	130	179	-69.1	0	0	0	0	110.4	P228 Q297 I322 V333 V334	P228-T320 HydrophobicContact CG-CG2 4.42Å; Q297-T320 HydrophobicContact CG-CG2 4Å; Q297-T320 PolarHBondContact NE2-OG1 2.95Å; T320-I322 HydrophobicContact CG2-CD1 4.19Å; T320-V333 WeakPolarHBondContact O-CA 3.43Å; T320-V334 PolarHBondContact N-O 3.18Å; T320-V334 PolarHBondContact O-N 3.33Å
321	V	96.6	Very high	93.9	Very high	5 Å²	5	56.8 Å²	56.8	3%	0.03	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	122.3	172.5	-175.3	0	0	0	0	109	M246 L292 F293 G296 Y323 P330 V333	M246-V321 HydrophobicContact CE-CG1 4.12Å; M246-V321 HydrophobicContact SD-CG1 4.32Å; L292-V321 HydrophobicContact CD1-CG2 3.87Å; L292-V321 HydrophobicContact CG-CG2 3.95Å; F293-V321 HydrophobicContact CD1-CG2 4.22Å; G296-V321 PolarHBondContact O-N 2.92Å; V321-Y323 HydrophobicContact CB-CE2 3.8Å; V321-Y323 HydrophobicContact CG1-CD2 4.27Å; V321-Y323 HydrophobicContact CG1-CE1 4.14Å; V321-Y323 HydrophobicContact CG1-CE2 3.72Å; V321-Y323 WeakPolarHBondContact O-CD2 3.32Å; V321-Y323 WeakPolarHBondContact O-CE2 3.45Å; V321-P330 HydrophobicContact CG1-CB 3.73Å; V321-V333 HydrophobicContact CG2-CG2 4.44Å
322	I	94.3	Very high	93.9	Very high	37 Å²	37	57.5 Å²	57.5	19%	0.19	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	122.5	174.1	-56.5	-55.5	0	0	0	108.9	P228 T320 Q331 C332 V334	P228-I322 HydrophobicContact CG-CD1 4.13Å; T320-I322 HydrophobicContact CG2-CD1 4.19Å; I322-Q331 PolarHBondContact O-N 2.81Å; I322-C332 PolarHBondContact N-O 2.84Å; I322-V334 HydrophobicContact CD1-CG2 4.27Å; I322-V334 HydrophobicContact CG1-CB 4.28Å; I322-V334 HydrophobicContact CG1-CG2 3.66Å
323	Y	91.8	Very high	93.9	Very high	113 Å²	113	57 Å²	57	44%	0.443	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	140.6	177.8	-61.4	-95.4	0	0	0	111.1	V321 N325 Q329 P330	V321-Y323 HydrophobicContact CB-CE2 3.8Å; V321-Y323 HydrophobicContact CG1-CD2 4.27Å; V321-Y323 HydrophobicContact CG1-CE1 4.14Å; V321-Y323 HydrophobicContact CG1-CE2 3.72Å; V321-Y323 WeakPolarHBondContact O-CD2 3.32Å; V321-Y323 WeakPolarHBondContact O-CE2 3.45Å; Y323-N325 PolarHBondContact O-N 2.75Å; Y323-Q329 WeakPolarHBondContact CA-O 3.34Å; Y323-P330 HydrophobicContact CD1-CB 4.04Å; Y323-P330 HydrophobicContact CE1-CB 3.91Å
324	N	89.6	Confident	93.9	Very high	52 Å²	52	57.7 Å²	57.7	28%	0.278	29%	0.289	S	S	.	.			trans	-72.8	112.5	177.1	175.3	-9.2	0	0	0	110.4	K326 N327 S328 Q329 Q331	N324-K326 PolarHBondContact O-N 2.91Å; N324-K326 WeakPolarHBondContact OD1-CB 3.32Å; N324-K326 PolarHBondContact OD1-N 3.4Å; N324-N327 WeakPolarHBondContact CB-OD1 3.45Å; N324-N327 PolarHBondContact ND2-OD1 3.17Å; N324-N327 PolarHBondContact O-N 3.35Å; N324-N327 VanDerWaalsContact O-N 3.11Å; N324-N327 PolarHBondContact O-OD1 3.17Å; N324-S328 WeakPolarHBondContact O-CA 3.25Å; N324-S328 PolarHBondContact O-N 3.14Å; N324-Q329 PolarHBondContact N-O 2.67Å; N324-Q331 HydrophobicContact CB-CB 4.46Å
325	N	85.3	Confident	93.8	Very high	164 Å²	164	54.6 Å²	54.6	88%	0.877	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-3.5	-175.8	-165.3	69	0	0	0	115.4	Y323	Y323-N325 PolarHBondContact O-N 2.75Å
326	K	89.1	Confident	93.7	Very high	196 Å²	196	54.9 Å²	54.9	85%	0.852	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	-27	174.5	-63.6	-176.2	-179.7	179	0	114.3	N324	N324-K326 PolarHBondContact O-N 2.91Å; N324-K326 WeakPolarHBondContact OD1-CB 3.32Å; N324-K326 PolarHBondContact OD1-N 3.4Å
327	N	89.8	Confident	93.7	Very high	87 Å²	87	54.4 Å²	54.4	47%	0.465	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.6	4	-171.6	68.9	-7.6	0	0	0	114.2	N324 Q329	N324-N327 WeakPolarHBondContact CB-OD1 3.45Å; N324-N327 PolarHBondContact ND2-OD1 3.17Å; N324-N327 PolarHBondContact O-N 3.35Å; N324-N327 VanDerWaalsContact O-N 3.11Å; N324-N327 PolarHBondContact O-OD1 3.17Å; N327-Q329 PolarHBondContact O-N 3.23Å; N327-Q329 PolarHBondContact OD1-N 2.86Å
328	S	87.9	Confident	93.7	Very high	98 Å²	98	56.7 Å²	56.7	69%	0.685	29%	0.287	S	S	*	.			trans	56.1	17.2	-178.7	-54.5	0	0	0	0	115.4	N324	N324-S328 WeakPolarHBondContact O-CA 3.25Å; N324-S328 PolarHBondContact O-N 3.14Å
329	Q	91.3	Very high	93.7	Very high	120 Å²	120	55.4 Å²	55.4	56%	0.561	28%	0.282	S	S	*	.			trans	-77.9	141.5	173.6	-69.2	-68.3	-22.7	0	0	110.2	Y323 N324 N327 Q331	Y323-Q329 WeakPolarHBondContact CA-O 3.34Å; N324-Q329 PolarHBondContact N-O 2.67Å; N327-Q329 PolarHBondContact O-N 3.23Å; N327-Q329 PolarHBondContact OD1-N 2.86Å; Q329-Q331 PolarHBondContact O-N 2.84Å
330	P	93.4	Very high	93.7	Very high	52 Å²	52	58.5 Å²	58.5	34%	0.338	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	133.8	172.7	30	-34.6	0	0	0	109.6	M246 V321 Y323	M246-P330 HydrophobicContact CE-CB 3.72Å; M246-P330 HydrophobicContact CE-CG 4.18Å; M246-P330 HydrophobicContact SD-CB 3.89Å; V321-P330 HydrophobicContact CG1-CB 3.73Å; Y323-P330 HydrophobicContact CD1-CB 4.04Å; Y323-P330 HydrophobicContact CE1-CB 3.91Å
331	Q	93.4	Very high	93.6	Very high	124 Å²	124	59.4 Å²	59.4	58%	0.579	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	-44.1	-173.2	-179.5	177	-14.8	0	0	112.3	I322 N324 Q329	I322-Q331 PolarHBondContact O-N 2.81Å; N324-Q331 HydrophobicContact CB-CB 4.46Å; Q329-Q331 PolarHBondContact O-N 2.84Å
332	C	95.4	Very high	93.5	Very high	15 Å²	15	61.9 Å²	61.9	10%	0.101	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	167.1	-179.4	56.1	0	0	0	0	110.5	R243 H244 I322	R243-C332 HydrophobicContact CG-CB 4.1Å; H244-C332 WeakPolarHBondContact O-CA 3.21Å; H244-C332 VanDerWaalsContact O-CB 3.23Å; H244-C332 WeakPolarHBondContact O-CB 3.45Å; I322-C332 PolarHBondContact N-O 2.84Å
333	V	97.7	Very high	93.6	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	141.6	167.2	179.8	0	0	0	0	108.6	R243 H244 M246 M248 L292 F293 A319 T320 V321	R243-V333 CarbonylContact C-O 3.57Å; R243-V333 VanDerWaalsContact CA-O 3.3Å; R243-V333 WeakPolarHBondContact CA-O 3.35Å; R243-V333 WeakPolarHBondContact CG-O 3.44Å; H244-V333 HydrophobicContact CB-CB 4.3Å; H244-V333 PolarHBondContact N-O 3.04Å; H244-V333 PolarHBondContact O-N 2.87Å; M246-V333 HydrophobicContact SD-CG2 4.29Å; M248-V333 HydrophobicContact CE-CG1 4.5Å; M248-V333 HydrophobicContact SD-CB 4.2Å; M248-V333 HydrophobicContact SD-CG1 4.27Å; M248-V333 HydrophobicContact SD-CG2 3.93Å; L292-V333 HydrophobicContact CD2-CG1 3.82Å; L292-V333 HydrophobicContact CD2-CG2 4.21Å; F293-V333 HydrophobicContact CE1-CG2 3.87Å; F293-V333 HydrophobicContact CZ-CG2 4.46Å; A319-V333 HydrophobicContact CB-CG1 4.13Å; T320-V333 WeakPolarHBondContact O-CA 3.43Å; V321-V333 HydrophobicContact CG2-CG2 4.44Å
334	V	97.1	Very high	93.8	Very high	14 Å²	14	61.3 Å²	61.3	9%	0.085	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130	168.8	173.3	0	0	0	0	108.6	P228 L241 R243 A319 T320 I322	P228-V334 HydrophobicContact CB-CG1 3.8Å; P228-V334 HydrophobicContact CG-CB 4.09Å; P228-V334 HydrophobicContact CG-CG1 3.84Å; L241-V334 HydrophobicContact CD1-CG1 3.82Å; L241-V334 HydrophobicContact CG-CG1 4.49Å; R243-V334 HydrophobicContact CB-CG2 4.45Å; R243-V334 HydrophobicContact CG-CG2 4.05Å; A319-V334 CarbonylContact C-O 3.52Å; A319-V334 WeakPolarHBondContact CA-O 3.24Å; T320-V334 PolarHBondContact N-O 3.18Å; T320-V334 PolarHBondContact O-N 3.33Å; I322-V334 HydrophobicContact CD1-CG2 4.27Å; I322-V334 HydrophobicContact CG1-CB 4.28Å; I322-V334 HydrophobicContact CG1-CG2 3.66Å
335	C	96.7	Very high	94	Very high	4 Å²	4	64.5 Å²	64.5	3%	0.027	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	120.5	-174.6	-70.7	0	0	0	0	110	S242 T317 Q318 A319	S242-C335 PolarHBondContact N-O 2.84Å; S242-C335 PolarHBondContact O-N 3.4Å; S242-C335 WeakPolarHBondContact OG-CB 3.3Å; S242-C335 PolarHBondContact OG-O 2.88Å; T317-C335 HydrophobicContact CG2-CB 3.69Å; Q318-C335 WeakPolarHBondContact O-CA 3.41Å; A319-C335 VanDerWaalsContact CB-SG 3.57Å
336	V	95.5	Very high	94.3	Very high	6 Å²	6	62.4 Å²	62.4	4%	0.036	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	117	167.3	-175.1	0	0	0	0	107.1	I231 L235 T239 L241 T317 Q318 F338	I231-V336 HydrophobicContact CD1-CG2 3.81Å; L235-V336 HydrophobicContact CD2-CG1 4.18Å; T239-V336 HydrophobicContact CG2-CG1 3.66Å; L241-V336 HydrophobicContact CD1-CG2 3.87Å; T317-V336 WeakPolarHBondContact CA-O 3.25Å; Q318-V336 PolarHBondContact N-O 2.98Å; Q318-V336 PolarHBondContact O-N 3.2Å; V336-F338 HydrophobicContact CB-CE2 4.42Å; V336-F338 HydrophobicContact CG1-CE1 4.17Å; V336-F338 HydrophobicContact CG1-CE2 3.96Å; V336-F338 HydrophobicContact CG1-CZ 3.67Å
337	N	96.3	Very high	94.3	Very high	7 Å²	7	62.8 Å²	62.8	4%	0.037	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	117.7	-172.2	-58.2	-34	0	0	0	109.8	T239 F240 S242 V315 T317	T239-N337 WeakPolarHBondContact CA-O 3.42Å; F240-N337 HydrophobicContact CD1-CB 3.78Å; F240-N337 HydrophobicContact CD2-CB 4.33Å; F240-N337 HydrophobicContact CE1-CB 3.45Å; F240-N337 VanDerWaalsContact CE1-CB 3.45Å; F240-N337 HydrophobicContact CE2-CB 4.05Å; F240-N337 WeakPolarHBondContact CE2-ND2 3.46Å; F240-N337 HydrophobicContact CG-CB 4.21Å; F240-N337 HydrophobicContact CZ-CB 3.6Å; F240-N337 WeakPolarHBondContact CZ-ND2 3.29Å; F240-N337 PolarHBondContact N-O 3.42Å; F240-N337 PolarHBondContact O-N 2.81Å; S242-N337 PolarHBondContact OG-ND2 2.88Å; V315-N337 HydrophobicContact CG1-CB 4.17Å; T317-N337 WeakPolarHBondContact CB-OD1 3.31Å; T317-N337 WeakPolarHBondContact CG2-OD1 3.43Å; T317-N337 PolarHBondContact OG1-OD1 2.68Å
338	F	95.8	Very high	94.5	Very high	54 Å²	54	62.5 Å²	62.5	24%	0.237	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	114.2	178.2	-55.6	-84.3	0	0	0	109.2	T239 V315 E316 Q318 V336 L340	T239-F338 HydrophobicContact CG2-CD1 3.65Å; T239-F338 HydrophobicContact CG2-CE1 3.71Å; T239-F338 HydrophobicContact CG2-CG 4.37Å; T239-F338 HydrophobicContact CG2-CZ 4.47Å; T239-F338 WeakPolarHBondContact OG1-CD1 3.38Å; V315-F338 WeakPolarHBondContact CA-O 3.45Å; E316-F338 PolarHBondContact N-O 2.87Å; E316-F338 WeakPolarHBondContact O-CD2 3.48Å; E316-F338 PolarHBondContact O-N 2.9Å; Q318-F338 HydrophobicContact CB-CE2 4.36Å; Q318-F338 HydrophobicContact CG-CE2 3.99Å; V336-F338 HydrophobicContact CB-CE2 4.42Å; V336-F338 HydrophobicContact CG1-CE1 4.17Å; V336-F338 HydrophobicContact CG1-CE2 3.96Å; V336-F338 HydrophobicContact CG1-CZ 3.67Å; F338-L340 HydrophobicContact CB-CD2 4.36Å
339	V	96.7	Very high	94.8	Very high	9 Å²	9	60.8 Å²	60.8	6%	0.055	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	116.4	179.1	-178.7	0	0	0	0	109.4	K238 F240 L260 V313 S341	K238-V339 WeakPolarHBondContact O-CB 3.32Å; K238-V339 PolarHBondContact O-N 2.95Å; F240-V339 HydrophobicContact CD1-CG2 3.92Å; F240-V339 HydrophobicContact CE1-CG2 3.78Å; L260-V339 HydrophobicContact CD1-CG2 4.05Å; V313-V339 HydrophobicContact CB-CG1 4.28Å; V339-S341 VanDerWaalsContact CG1-O 3.26Å; V339-S341 WeakPolarHBondContact CG1-O 3.32Å
340	L	96.1	Very high	94.8	Very high	67 Å²	67	58.2 Å²	58.2	35%	0.351	30%	0.303	S	S	.	.			trans	-93	-25.2	-169.5	-51.9	-179.2	0	0	0	112.8	Q302 W314 E316 F338	Q302-L340 HydrophobicContact CB-CD1 4.32Å; Q302-L340 HydrophobicContact CG-CD1 3.71Å; W314-L340 HydrophobicContact CB-CB 4.04Å; W314-L340 PolarHBondContact O-N 3.16Å; E316-L340 HydrophobicContact CB-CD1 4.31Å; F338-L340 HydrophobicContact CB-CD2 4.36Å
341	S	96.1	Very high	94.7	Very high	23 Å²	23	57.1 Å²	57.1	16%	0.161	30%	0.297	C	S	.	.	S	Bend	trans	-131.2	161.2	-179.7	74	0	0	0	0	112.3	W314 V339	W314-S341 PolarHBondContact N-OG 3.04Å; V339-S341 VanDerWaalsContact CG1-O 3.26Å; V339-S341 WeakPolarHBondContact CG1-O 3.32Å
342	G	94.8	Very high	94.4	Very high	58 Å²	58	57.8 Å²	57.8	60%	0.598	30%	0.304	S	S	*	.	S	Bend	trans	-67.7	178.9	154.8	0	0	0	0	0	111.1	Q344	G342-Q344 PolarHBondContact O-N 2.96Å
343	I	95.9	Very high	93.8	Very high	62 Å²	62	59.2 Å²	59.2	32%	0.318	31%	0.309	S	S	.	.			trans	-64.4	125.9	178.7	-51.3	174.3	0	0	0	109.3	A307 V313 E346	A307-I343 HydrophobicContact CB-CD1 3.95Å; A307-I343 HydrophobicContact CB-CG1 4.1Å; A307-I343 HydrophobicContact CB-CG2 3.95Å; V313-I343 HydrophobicContact CG1-CB 4.37Å; V313-I343 HydrophobicContact CG1-CG1 3.89Å; I343-E346 HydrophobicContact CB-CG 3.99Å; I343-E346 HydrophobicContact CG2-CG 3.71Å
344	Q	95.9	Very high	93.4	Very high	76 Å²	76	59.4 Å²	59.4	36%	0.355	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-100.6	143	173.9	-60.6	-169.7	-9.8	0	0	109	G311 F312 G342 E346	G311-Q344 CarbonylContact C-O 3.55Å; G311-Q344 WeakPolarHBondContact CA-O 3.23Å; F312-Q344 HydrophobicContact CD2-CB 4.32Å; F312-Q344 HydrophobicContact CE1-CB 4.33Å; F312-Q344 HydrophobicContact CE2-CB 3.88Å; F312-Q344 HydrophobicContact CE2-CG 4.41Å; F312-Q344 HydrophobicContact CZ-CB 3.89Å; F312-Q344 PolarHBondContact N-O 3.39Å; F312-Q344 PolarHBondContact O-N 3.01Å; G342-Q344 PolarHBondContact O-N 2.96Å; Q344-E346 VanDerWaalsContact C-N 3.3Å; Q344-E346 PolarHBondContact O-N 2.9Å
345	E	93.9	Very high	92.7	Very high	118 Å²	118	61.3 Å²	61.3	55%	0.551	32%	0.321	S	S	*	.	S	Bend	trans	56.2	37.6	175.8	-54.6	-175.3	170.1	0	0	114	G311 F312 K347 L348	G311-E345 VanDerWaalsContact CA-O 3.24Å; G311-E345 WeakPolarHBondContact CA-O 3.46Å; G311-E345 PolarHBondContact N-O 2.98Å; F312-E345 HydrophobicContact CE1-CB 4.33Å; F312-E345 HydrophobicContact CE1-CG 4.2Å; E345-K347 PolarHBondContact O-N 3.35Å; E345-L348 HydrophobicContact CB-CB 4.11Å; E345-L348 WeakPolarHBondContact O-CB 3.44Å; E345-L348 PolarHBondContact O-N 3.45Å; E345-L348 VanDerWaalsContact OE2-CD2 3.29Å; E345-L348 WeakPolarHBondContact OE2-CD2 3.44Å
346	E	90.7	Very high	91.3	Very high	120 Å²	120	65.5 Å²	65.5	56%	0.561	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.1	-34	-177.6	-63.2	173.2	162.2	0	0	115.5	G310 I343 Q344	G310-E346 CarbonylContact C-O 3.39Å; G310-E346 WeakPolarHBondContact CA-O 3.17Å; I343-E346 HydrophobicContact CB-CG 3.99Å; I343-E346 HydrophobicContact CG2-CG 3.71Å; Q344-E346 VanDerWaalsContact C-N 3.3Å; Q344-E346 PolarHBondContact O-N 2.9Å
347	K	90.6	Very high	89.3	Confident	204 Å²	204	69.7 Å²	69.7	89%	0.887	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-4.6	-177.6	-60.4	-179.2	-177.6	178.3	0	113.9	E345	E345-K347 PolarHBondContact O-N 3.35Å
348	L	93.3	Very high	87.2	Confident	81 Å²	81	75.4 Å²	75.4	42%	0.424	39%	0.388	S	S	.	.			trans	-95.1	121.4	179.5	-174.3	62.1	0	0	0	110	G311 E345 L350	G311-L348 PolarHBondContact N-O 3.02Å; E345-L348 HydrophobicContact CB-CB 4.11Å; E345-L348 WeakPolarHBondContact O-CB 3.44Å; E345-L348 PolarHBondContact O-N 3.45Å; E345-L348 VanDerWaalsContact OE2-CD2 3.29Å; E345-L348 WeakPolarHBondContact OE2-CD2 3.44Å; L348-L350 HydrophobicContact CD2-CD2 3.78Å; L348-L350 HydrophobicContact CD2-CG 4.26Å; L348-L350 HydrophobicContact CG-CD2 4.01Å; L348-L350 HydrophobicContact CG-CG 4.13Å
349	I	93.3	Very high	84.4	Confident	63 Å²	63	80.1 Å²	80.1	32%	0.323	41%	0.408	S	S	.	.			trans	-87	122.2	172.8	-60.2	-56.4	0	0	0	108.8	S351 Q354 T355 M358	I349-S351 WeakPolarHBondContact CG2-O 3.19Å; I349-Q354 HydrophobicContact CD1-CB 3.93Å; I349-Q354 HydrophobicContact CG2-CB 4.46Å; I349-T355 HydrophobicContact CD1-CG2 4.47Å; I349-T355 HydrophobicContact CG1-CG2 4.29Å; I349-T355 HydrophobicContact CG2-CG2 3.56Å; I349-M358 HydrophobicContact CD1-CE 3.98Å; I349-M358 HydrophobicContact CD1-SD 4.46Å
350	L	91.7	Very high	81.7	Confident	66 Å²	66	84.5 Å²	84.5	35%	0.346	44%	0.437	S	S	.	.			trans	-114.9	-24	-176	-66.3	164.5	0	0	0	112.3	L306 F312 L348	L306-L350 HydrophobicContact CD1-CB 4.36Å; L306-L350 HydrophobicContact CD2-CB 3.78Å; L306-L350 HydrophobicContact CD2-CD1 3.77Å; L306-L350 HydrophobicContact CD2-CG 4.43Å; F312-L350 HydrophobicContact CD1-CD1 3.8Å; L348-L350 HydrophobicContact CD2-CD2 3.78Å; L348-L350 HydrophobicContact CD2-CG 4.26Å; L348-L350 HydrophobicContact CG-CD2 4.01Å; L348-L350 HydrophobicContact CG-CG 4.13Å
351	S	90.9	Very high	79.3	Confident	29 Å²	29	85.6 Å²	85.6	20%	0.203	45%	0.446	C	S	.	.	S	Bend	trans	-130.5	149.7	171.7	174.2	0	0	0	0	111.2	L306 I349 E353 Q354	L306-S351 VanDerWaalsContact CD1-CB 3.47Å; I349-S351 WeakPolarHBondContact CG2-O 3.19Å; S351-E353 PolarHBondContact O-N 3.34Å; S351-E353 PolarHBondContact OG-N 2.69Å; S351-Q354 WeakPolarHBondContact O-CB 3.3Å; S351-Q354 PolarHBondContact O-N 3.41Å; S351-Q354 VanDerWaalsContact O-N 3.17Å
352	L	87.1	Confident	77	Confident	138 Å²	138	91.3 Å²	91.3	72%	0.723	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-58.1	-26.4	173.6	-172.6	68.9	0	0	0	112.2	Q354 T355	L352-Q354 VanDerWaalsContact C-N 3.29Å; L352-Q354 PolarHBondContact O-N 2.96Å; L352-T355 PolarHBondContact O-N 3.42Å; L352-T355 PolarHBondContact O-OG1 3.43Å
353	E	83.6	Confident	74.7	Confident	45 Å²	45	95.3 Å²	95.3	21%	0.21	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-68.6	-30.5	-179.5	-55.2	-153.1	118.1	0	0	112.5	R271 S351 T355 Q356	R271-E353 IonicContact CZ-OE1 2.98Å; R271-E353 VanDerWaalsContact CZ-OE1 3.3Å; R271-E353 IonicContact NH1-OE1 2.74Å; R271-E353 PolarHBondContact NH1-OE1 3.13Å; R271-E353 IonicContact NH1-OE2 3.71Å; R271-E353 IonicContact NH2-OE1 3.52Å; R271-E353 PolarHBondContact NH2-OE1 3.15Å; S351-E353 PolarHBondContact O-N 3.34Å; S351-E353 PolarHBondContact OG-N 2.69Å; E353-T355 PolarHBondContact O-N 3.33Å; E353-T355 VanDerWaalsContact O-N 3.13Å; E353-Q356 WeakPolarHBondContact O-CB 3.4Å; E353-Q356 PolarHBondContact O-N 3.47Å; E353-Q356 VanDerWaalsContact O-N 3.12Å
354	Q	89.4	Confident	72.4	Confident	3 Å²	3	98.7 Å²	98.7	1%	0.014	48%	0.483	C	S	.	.	G	3₁₀ helix	trans	-68.3	-9.8	176.4	-57.5	176.7	-61.7	0	0	113.1	A307 K308 G311 I349 S351 L352	A307-Q354 WeakPolarHBondContact O-CG 3.45Å; A307-Q354 PolarHBondContact O-NE2 3.42Å; K308-Q354 WeakPolarHBondContact O-CA 3.2Å; G311-Q354 PolarHBondContact O-NE2 3.14Å; I349-Q354 HydrophobicContact CD1-CB 3.93Å; I349-Q354 HydrophobicContact CG2-CB 4.46Å; S351-Q354 WeakPolarHBondContact O-CB 3.3Å; S351-Q354 PolarHBondContact O-N 3.41Å; S351-Q354 VanDerWaalsContact O-N 3.17Å; L352-Q354 VanDerWaalsContact C-N 3.29Å; L352-Q354 PolarHBondContact O-N 2.96Å
355	T	82.8	Confident	70.2	Confident	54 Å²	54	100 Å²	100	33%	0.331	49%	0.49	S	S	.	.	G	3₁₀ helix	trans	-95.4	-7.5	174.5	72.6	0	0	0	0	113.7	I349 L352 E353 E357 M358	I349-T355 HydrophobicContact CD1-CG2 4.47Å; I349-T355 HydrophobicContact CG1-CG2 4.29Å; I349-T355 HydrophobicContact CG2-CG2 3.56Å; L352-T355 PolarHBondContact O-N 3.42Å; L352-T355 PolarHBondContact O-OG1 3.43Å; E353-T355 PolarHBondContact O-N 3.33Å; E353-T355 VanDerWaalsContact O-N 3.13Å; T355-E357 VanDerWaalsContact C-N 3.29Å; T355-E357 PolarHBondContact O-N 2.91Å; T355-M358 PolarHBondContact O-N 3.49Å
356	Q	67	Low	68.2	Low	93 Å²	93	99.5 Å²	99.5	44%	0.435	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-23	-168.6	-66.7	-176.1	25.2	0	0	114	E353 K359	E353-Q356 WeakPolarHBondContact O-CB 3.4Å; E353-Q356 PolarHBondContact O-N 3.47Å; E353-Q356 VanDerWaalsContact O-N 3.12Å; Q356-K359 WeakPolarHBondContact O-CE 3.3Å
357	E	54.5	Low	66.3	Low	94 Å²	94	99.2 Å²	99.2	44%	0.439	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-1.2	169.2	-76.6	-171.1	-166.4	0	0	114	K308 R309 T355 K359	K308-E357 WeakPolarHBondContact CE-OE1 3.45Å; K308-E357 IonicContact NZ-OE1 2.89Å; K308-E357 PolarHBondContact NZ-OE1 3.36Å; R309-E357 IonicContact CZ-OE2 3.21Å; R309-E357 IonicContact NH1-OE2 3.67Å; R309-E357 PolarHBondContact NH1-OE2 3.07Å; R309-E357 IonicContact NH2-OE2 3.27Å; R309-E357 PolarHBondContact NH2-OE2 3.49Å; T355-E357 VanDerWaalsContact C-N 3.29Å; T355-E357 PolarHBondContact O-N 2.91Å; E357-K359 PolarHBondContact O-N 2.8Å; E357-K359 VanDerWaalsContact O-N 3.08Å
358	M	50.3	Low	64.4	Low	126 Å²	126	95.3 Å²	95.3	62%	0.621	47%	0.471	S	S	*	.			trans	-80.1	29	167.5	-67.1	-166.9	178	0	0	112.3	I349 T355	I349-M358 HydrophobicContact CD1-CE 3.98Å; I349-M358 HydrophobicContact CD1-SD 4.46Å; T355-M358 PolarHBondContact O-N 3.49Å
359	K	37.7	Very low	62.5	Low	154 Å²	154	97.2 Å²	97.2	67%	0.67	48%	0.478	S	S	*	.	S	Bend	trans	-69.3	137.7	165.6	-67.5	168.1	-171.6	156.2	0	107.7	Q356 E357 V361	Q356-K359 WeakPolarHBondContact O-CE 3.3Å; E357-K359 PolarHBondContact O-N 2.8Å; E357-K359 VanDerWaalsContact O-N 3.08Å; K359-V361 PolarHBondContact O-N 3.42Å
360	P	39.8	Very low	60.7	Low	100 Å²	100	100 Å²	100	65%	0.649	49%	0.489	S	S	*	.			trans	-68.3	128.5	179.4	27.2	-33.4	0	0	0	110.7	K362 K363	P360-K362 PolarHBondContact O-N 2.85Å; P360-K363 PolarHBondContact O-N 2.89Å
361	V	46.8	Very low	58.9	Low	91 Å²	91	103 Å²	103	55%	0.552	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.2	-29.2	-178.5	176.4	0	0	0	0	114.8	K359 K363 E364 E365	K359-V361 PolarHBondContact O-N 3.42Å; V361-K363 PolarHBondContact O-N 3.39Å; V361-E364 PolarHBondContact O-N 2.96Å; V361-E365 HydrophobicContact CG1-CG 4Å; V361-E365 PolarHBondContact O-N 2.88Å
362	K	47.7	Very low	57.3	Low	143 Å²	143	107.3 Å²	107.3	62%	0.622	52%	0.518	S	S	*	.	H	α-helix	trans	-49	-26.3	-178.4	-61.7	-164.3	170.1	-156.1	0	116.1	P360 E366	P360-K362 PolarHBondContact O-N 2.85Å; K362-E366 VanDerWaalsContact O-CB 3.28Å; K362-E366 WeakPolarHBondContact O-CB 3.26Å; K362-E366 WeakPolarHBondContact O-CG 3.39Å; K362-E366 PolarHBondContact O-N 3.46Å
363	K	46.1	Very low	55.8	Low	142 Å²	142	106.3 Å²	106.3	62%	0.617	51%	0.51	S	S	*	.	H	α-helix	trans	-78.9	-32.1	179.3	-82.5	-162.9	154.2	-117.7	0	114.2	P360 V361 E367	P360-K363 PolarHBondContact O-N 2.89Å; V361-K363 PolarHBondContact O-N 3.39Å; K363-E367 WeakPolarHBondContact O-CG 3.45Å; K363-E367 PolarHBondContact O-N 2.89Å; K363-E367 VanDerWaalsContact O-N 3.15Å
364	E	46.9	Very low	54.6	Low	133 Å²	133	109.6 Å²	109.6	62%	0.621	53%	0.529	S	S	*	.	H	α-helix	trans	-77.9	-39	177.4	-73.9	154.1	-165.3	0	0	109.1	V361 E366 E367 E368	V361-E364 PolarHBondContact O-N 2.96Å; E364-E366 PolarHBondContact O-N 3.3Å; E364-E367 PolarHBondContact O-N 3.04Å; E364-E368 WeakPolarHBondContact O-CB 3.36Å; E364-E368 WeakPolarHBondContact O-CG 3.21Å; E364-E368 PolarHBondContact O-N 3.47Å
365	E	51.2	Low	53	Low	104 Å²	104	116.3 Å²	116.3	49%	0.486	56%	0.56	S	S	.	*	H	α-helix	trans	-58.6	-45.1	168.4	-66.1	177.1	139.4	0	0	112.2	V361 E367 E369	V361-E365 HydrophobicContact CG1-CG 4Å; V361-E365 PolarHBondContact O-N 2.88Å; E365-E367 VanDerWaalsContact C-N 3.35Å; E365-E367 PolarHBondContact O-N 3.18Å; E365-E369 WeakPolarHBondContact O-CB 3.19Å; E365-E369 WeakPolarHBondContact O-CG 3.44Å; E365-E369 PolarHBondContact O-N 2.83Å
366	E	50.7	Low	51.9	Low	107 Å²	107	118.2 Å²	118.2	50%	0.5	57%	0.572	S	S	.	*	H	α-helix	trans	-66.2	-29.7	177.7	-80.9	171.7	-167.6	0	0	113.8	K362 E364 Q370	K362-E366 VanDerWaalsContact O-CB 3.28Å; K362-E366 WeakPolarHBondContact O-CB 3.26Å; K362-E366 WeakPolarHBondContact O-CG 3.39Å; K362-E366 PolarHBondContact O-N 3.46Å; E364-E366 PolarHBondContact O-N 3.3Å; E366-Q370 VanDerWaalsContact O-CG 3.31Å; E366-Q370 WeakPolarHBondContact O-CG 3.18Å; E366-Q370 PolarHBondContact O-NE2 2.82Å
367	E	49.9	Very low	51.2	Low	113 Å²	113	118.7 Å²	118.7	53%	0.528	57%	0.574	S	S	.	*	H	α-helix	trans	-86.4	-29.9	178.4	-73.8	179.4	-160.2	0	0	112.7	K363 E364 E365 Q371	K363-E367 WeakPolarHBondContact O-CG 3.45Å; K363-E367 PolarHBondContact O-N 2.89Å; K363-E367 VanDerWaalsContact O-N 3.15Å; E364-E367 PolarHBondContact O-N 3.04Å; E365-E367 VanDerWaalsContact C-N 3.35Å; E365-E367 PolarHBondContact O-N 3.18Å; E367-Q371 WeakPolarHBondContact O-CG 3.26Å; E367-Q371 PolarHBondContact O-N 3.25Å; E367-Q371 PolarHBondContact O-NE2 3.22Å
368	E	52.4	Low	51.1	Low	122 Å²	122	117.1 Å²	117.1	57%	0.57	58%	0.577	S	S	*	*	H	α-helix	trans	-72.6	-43.5	170.2	-73.7	-170	167.4	0	0	112.3	E364 Q370 Q371 Q372	E364-E368 WeakPolarHBondContact O-CB 3.36Å; E364-E368 WeakPolarHBondContact O-CG 3.21Å; E364-E368 PolarHBondContact O-N 3.47Å; E368-Q370 VanDerWaalsContact C-N 3.25Å; E368-Q370 PolarHBondContact O-N 2.91Å; E368-Q371 PolarHBondContact O-N 2.92Å; E368-Q372 WeakPolarHBondContact O-CG 3.28Å; E368-Q372 PolarHBondContact O-N 2.88Å
369	E	53.2	Low	51.1	Low	122 Å²	122	117.5 Å²	117.5	57%	0.57	58%	0.577	S	S	*	*	H	α-helix	trans	-60.8	-34.4	176.7	-79.6	-167.6	172.2	0	0	112.3	E365 Q373	E365-E369 WeakPolarHBondContact O-CB 3.19Å; E365-E369 WeakPolarHBondContact O-CG 3.44Å; E365-E369 PolarHBondContact O-N 2.83Å; E369-Q373 WeakPolarHBondContact O-CB 3.47Å; E369-Q373 VanDerWaalsContact O-CG 3.23Å; E369-Q373 WeakPolarHBondContact O-CG 3.49Å; E369-Q373 PolarHBondContact O-N 3.23Å; E369-Q373 VanDerWaalsContact O-N 3.08Å; E369-Q373 PolarHBondContact O-NE2 3.15Å
370	Q	55	Low	51.9	Low	121 Å²	121	114 Å²	114	57%	0.565	57%	0.569	S	S	*	*	H	α-helix	trans	-72.4	-41.3	177.4	-77.3	171.3	58.2	0	0	112.2	E366 E368 Q373 D374	E366-Q370 VanDerWaalsContact O-CG 3.31Å; E366-Q370 WeakPolarHBondContact O-CG 3.18Å; E366-Q370 PolarHBondContact O-NE2 2.82Å; E368-Q370 VanDerWaalsContact C-N 3.25Å; E368-Q370 PolarHBondContact O-N 2.91Å; Q370-Q373 PolarHBondContact O-N 3.2Å; Q370-D374 PolarHBondContact O-N 3.16Å
371	Q	54.1	Low	52.3	Low	130 Å²	130	115.9 Å²	115.9	61%	0.607	57%	0.567	S	S	*	*	H	α-helix	trans	-64	-42.8	175.9	-75.6	170.7	81	0	0	111.7	E367 E368 Q373 D374 E375	E367-Q371 WeakPolarHBondContact O-CG 3.26Å; E367-Q371 PolarHBondContact O-N 3.25Å; E367-Q371 PolarHBondContact O-NE2 3.22Å; E368-Q371 PolarHBondContact O-N 2.92Å; Q371-Q373 VanDerWaalsContact C-N 3.35Å; Q371-Q373 PolarHBondContact O-N 2.97Å; Q371-D374 PolarHBondContact O-N 3.16Å; Q371-E375 PolarHBondContact O-N 3.32Å
372	Q	56.3	Low	52.2	Low	119 Å²	119	118.8 Å²	118.8	56%	0.556	57%	0.572	S	S	*	*	H	α-helix	trans	-64.6	-36.7	175.6	-68.1	177.8	29.3	0	0	112.4	E368 V376	E368-Q372 WeakPolarHBondContact O-CG 3.28Å; E368-Q372 PolarHBondContact O-N 2.88Å; Q372-V376 WeakPolarHBondContact O-CB 3.16Å; Q372-V376 VanDerWaalsContact O-CG2 3.28Å; Q372-V376 WeakPolarHBondContact O-CG2 3.46Å; Q372-V376 PolarHBondContact O-N 3.46Å
373	Q	55.4	Low	52	Low	117 Å²	117	115.9 Å²	115.9	55%	0.547	57%	0.57	S	S	.	*	H	α-helix	trans	-67.9	-35.9	176.4	-77.5	175.4	49.8	0	0	113.2	E369 Q370 Q371 Q377	E369-Q373 WeakPolarHBondContact O-CB 3.47Å; E369-Q373 VanDerWaalsContact O-CG 3.23Å; E369-Q373 WeakPolarHBondContact O-CG 3.49Å; E369-Q373 PolarHBondContact O-N 3.23Å; E369-Q373 VanDerWaalsContact O-N 3.08Å; E369-Q373 PolarHBondContact O-NE2 3.15Å; Q370-Q373 PolarHBondContact O-N 3.2Å; Q371-Q373 VanDerWaalsContact C-N 3.35Å; Q371-Q373 PolarHBondContact O-N 2.97Å; Q373-Q377 WeakPolarHBondContact O-CB 3.47Å; Q373-Q377 WeakPolarHBondContact O-CG 3.28Å; Q373-Q377 PolarHBondContact O-N 3.42Å; Q373-Q377 VanDerWaalsContact O-N 3.1Å
374	D	59.8	Low	51.7	Low	114 Å²	114	117.5 Å²	117.5	61%	0.61	58%	0.579	S	S	*	*	H	α-helix	trans	-73.7	-38	175.8	-89.5	-17.8	0	0	0	112.5	Q370 Q371 Q377 A378	Q370-D374 PolarHBondContact O-N 3.16Å; Q371-D374 PolarHBondContact O-N 3.16Å; D374-Q377 PolarHBondContact O-N 2.79Å; D374-A378 PolarHBondContact O-N 3.33Å
375	E	55.7	Low	51.5	Low	144 Å²	144	115 Å²	115	67%	0.673	58%	0.581	S	S	*	*	H	α-helix	trans	-64.3	-46.3	173.1	-73.8	-159.9	130.7	0	0	112.2	Q371 Q377 A378 E379	Q371-E375 PolarHBondContact O-N 3.32Å; E375-Q377 VanDerWaalsContact C-N 3.28Å; E375-Q377 PolarHBondContact O-N 2.82Å; E375-A378 WeakPolarHBondContact O-CA 3.44Å; E375-A378 WeakPolarHBondContact O-CB 3.41Å; E375-A378 PolarHBondContact O-N 2.97Å; E375-E379 PolarHBondContact O-N 2.77Å
376	V	60	Low	51.1	Low	94 Å²	94	115.7 Å²	115.7	57%	0.57	59%	0.592	S	S	*	*	H	α-helix	trans	-61.4	-37.5	176.4	170.5	0	0	0	0	111.2	Q372 A378 E379 V380	Q372-V376 WeakPolarHBondContact O-CB 3.16Å; Q372-V376 VanDerWaalsContact O-CG2 3.28Å; Q372-V376 WeakPolarHBondContact O-CG2 3.46Å; Q372-V376 PolarHBondContact O-N 3.46Å; V376-A378 VanDerWaalsContact C-N 3.3Å; V376-A378 PolarHBondContact O-N 3.16Å; V376-E379 PolarHBondContact O-N 3.42Å; V376-V380 HydrophobicContact CG1-CG2 4.45Å; V376-V380 WeakPolarHBondContact O-CG2 3.41Å; V376-V380 PolarHBondContact O-N 2.54Å
377	Q	52.2	Low	50.3	Low	102 Å²	102	120.1 Å²	120.1	48%	0.477	61%	0.613	S	S	.	*	H	α-helix	trans	-69.1	-22.9	172.8	-84.5	-163.8	63.8	0	0	114.5	Q373 D374 E375 K381	Q373-Q377 WeakPolarHBondContact O-CB 3.47Å; Q373-Q377 WeakPolarHBondContact O-CG 3.28Å; Q373-Q377 PolarHBondContact O-N 3.42Å; Q373-Q377 VanDerWaalsContact O-N 3.1Å; D374-Q377 PolarHBondContact O-N 2.79Å; E375-Q377 VanDerWaalsContact C-N 3.28Å; E375-Q377 PolarHBondContact O-N 2.82Å; Q377-K381 WeakPolarHBondContact O-CD 3.15Å; Q377-K381 WeakPolarHBondContact O-CG 3.48Å; Q377-K381 PolarHBondContact O-NZ 3.02Å
378	A	51.9	Low	49.4	Very low	61 Å²	61	118.3 Å²	118.3	50%	0.504	62%	0.618	S	S	.	*	H	α-helix	trans	-78.2	-40.1	173	0	0	0	0	0	111.3	D374 E375 V376 K382	D374-A378 PolarHBondContact O-N 3.33Å; E375-A378 WeakPolarHBondContact O-CA 3.44Å; E375-A378 WeakPolarHBondContact O-CB 3.41Å; E375-A378 PolarHBondContact O-N 2.97Å; V376-A378 VanDerWaalsContact C-N 3.3Å; V376-A378 PolarHBondContact O-N 3.16Å; A378-K382 WeakPolarHBondContact O-CB 3.15Å; A378-K382 PolarHBondContact O-N 3.14Å
379	E	51.3	Low	48.3	Very low	134 Å²	134	119.6 Å²	119.6	63%	0.626	63%	0.628	S	S	*	*	H	α-helix	trans	-70.1	-40.3	178.3	-65.6	-129.7	116.4	0	0	113.1	E375 V376 K381 K382 S383	E375-E379 PolarHBondContact O-N 2.77Å; V376-E379 PolarHBondContact O-N 3.42Å; E379-K381 VanDerWaalsContact C-N 3.32Å; E379-K381 PolarHBondContact O-N 3.39Å; E379-K382 WeakPolarHBondContact O-CB 3.44Å; E379-K382 PolarHBondContact O-N 3.41Å; E379-S383 PolarHBondContact O-N 3.49Å; E379-S383 PolarHBondContact O-OG 3.19Å; E379-S383 VanDerWaalsContact O-OG 3.08Å
380	V	53.8	Low	47.3	Very low	81 Å²	81	121.6 Å²	121.6	49%	0.491	64%	0.643	S	S	.	*	H	α-helix	trans	-61.6	-39.8	176.1	171.3	0	0	0	0	111.5	V376 K382 S383	V376-V380 HydrophobicContact CG1-CG2 4.45Å; V376-V380 WeakPolarHBondContact O-CG2 3.41Å; V376-V380 PolarHBondContact O-N 2.54Å; V380-K382 PolarHBondContact O-N 2.81Å; V380-S383 PolarHBondContact O-N 2.97Å; V380-S383 PolarHBondContact O-OG 3.09Å
381	K	47.5	Very low	46.2	Very low	140 Å²	140	124.7 Å²	124.7	61%	0.609	66%	0.658	S	S	*	*	H	α-helix	trans	-70.4	-11	175.3	-70.2	171.8	-169.9	128.1	0	113.8	Q377 E379	Q377-K381 WeakPolarHBondContact O-CD 3.15Å; Q377-K381 WeakPolarHBondContact O-CG 3.48Å; Q377-K381 PolarHBondContact O-NZ 3.02Å; E379-K381 VanDerWaalsContact C-N 3.32Å; E379-K381 PolarHBondContact O-N 3.39Å
382	K	44.4	Very low	45	Very low	152 Å²	152	128.2 Å²	128.2	66%	0.661	67%	0.674	S	S	*	*	H	α-helix	trans	-99.8	-26.9	-178.7	-160.4	178.9	-179.7	-171.7	0	112.1	A378 E379 V380	A378-K382 WeakPolarHBondContact O-CB 3.15Å; A378-K382 PolarHBondContact O-N 3.14Å; E379-K382 WeakPolarHBondContact O-CB 3.44Å; E379-K382 PolarHBondContact O-N 3.41Å; V380-K382 PolarHBondContact O-N 2.81Å
383	S	44.8	Very low	43.9	Very low	82 Å²	82	131.6 Å²	131.6	57%	0.573	69%	0.69	S	S	*	*	H	α-helix	trans	-84.6	-25.2	-179.7	45.7	0	0	0	0	114.3	E379 V380 A385	E379-S383 PolarHBondContact O-N 3.49Å; E379-S383 PolarHBondContact O-OG 3.19Å; E379-S383 VanDerWaalsContact O-OG 3.08Å; V380-S383 PolarHBondContact O-N 2.97Å; V380-S383 PolarHBondContact O-OG 3.09Å; S383-A385 PolarHBondContact O-N 3.39Å
384	E	40.4	Very low	42.6	Very low	175 Å²	175	135.7 Å²	135.7	82%	0.818	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-6.9	171.4	-68.4	-168.7	137.1	0	0	114.2
385	A	42.5	Very low	41.3	Very low	80 Å²	80	139.5 Å²	139.5	66%	0.661	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	-9.3	-171.8	0	0	0	0	0	115.4	S383	S383-A385 PolarHBondContact O-N 3.39Å
386	V	41.4	Very low	39.9	Very low	119 Å²	119	142 Å²	142	72%	0.721	74%	0.735	S	S	*	*			trans	-137.1	85.3	-173.9	-169.3	0	0	0	0	111.4
387	Q	35.1	Very low	38.4	Very low	200 Å²	200	143.1 Å²	143.1	94%	0.935	74%	0.742	S	S	*	*			trans	-127.3	92.8	157.7	-79.8	-166.6	-19.9	0	0	109.1
388	A	31.1	Very low	37.5	Very low	76 Å²	76	144.4 Å²	144.4	63%	0.628	76%	0.759	S	S	*	*			trans	-154.5	128	164	0	0	0	0	0	109.5
389	D	29.5	Very low	36.7	Very low	149 Å²	149	149.9 Å²	149.9	80%	0.797	77%	0.774	S	S	*	*			trans	71.5	125.4	151.6	-49	-20.7	0	0	0	121.3
390	D	31.5	Very low	36.1	Very low	163 Å²	163	152.8 Å²	152.8	87%	0.872	79%	0.788	S	S	*	*			trans	83.8	140.2	150.5	-59.1	-17.8	0	0	0	122.7
391	E	30.8	Very low	35.1	Very low	187 Å²	187	158.6 Å²	158.6	87%	0.874	81%	0.806	S	S	*	*			trans	-107.6	152.7	-172	-52.8	172.9	143.5	0	0	110.1
392	E	30.5	Very low	34.5	Very low	204 Å²	204	159.3 Å²	159.3	95%	0.953	82%	0.816	S	S	*	*				-173.7	163.7	126	-103.7	175.9	-169.1	0	0	110.7
393	E	31.9	Very low	34.1	Very low	190 Å²	190	161.4 Å²	161.4	89%	0.888	83%	0.828	S	S	*	*			trans	-100.3	151.1	-166.8	-55	178.6	131.9	0	0	113.7
394	E	28.2	Very low	33.9	Very low	203 Å²	203	163.9 Å²	163.9	95%	0.949	83%	0.834	S	S	*	*			trans	-161.2	157.5	131.1	-115.5	177.2	-171.7	0	0	111.2
395	E	32.7	Very low	34	Very low	193 Å²	193	161.5 Å²	161.5	90%	0.902	83%	0.827	S	S	*	*			trans	-89.7	143.9	-172.1	-63.8	-173.9	117.9	0	0	114.2
396	E	27	Very low	33.8	Very low	197 Å²	197	164 Å²	164	92%	0.921	82%	0.823	S	S	*	*			trans	-132.5	154.8	151.9	-84.8	-156	140.2	0	0	111.8
397	T	28.8	Very low	33.8	Very low	118 Å²	118	165.6 Å²	165.6	72%	0.724	82%	0.823	S	S	*	*			trans	-95.1	156.1	-160.3	47.8	0	0	0	0	115.2	E399	T397-E399 PolarHBondContact O-N 2.83Å
398	P	32.1	Very low	34.1	Very low	129 Å²	129	161.1 Å²	161.1	84%	0.838	81%	0.805	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.8	62.6	-163	36.6	-39.1	0	0	0	115
399	E	35.5	Very low	34.4	Very low	176 Å²	176	163.5 Å²	163.5	82%	0.822	81%	0.807	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.6	-12.5	177	-65.2	-161.1	156.4	0	0	115.5	T397	T397-E399 PolarHBondContact O-N 2.83Å
400	Q	37.8	Very low	35	Very low	195 Å²	195	162.2 Å²	162.2	91%	0.911	80%	0.804	S	S	*	*	S	Bend	trans	-99.9	21.6	-171.8	-61.7	-168.8	10.7	0	0	116
401	K	33.9	Very low	35.4	Very low	202 Å²	202	160.8 Å²	160.8	88%	0.878	80%	0.795	S	S	*	*	S	Bend	trans	-118.9	14.3	-174.9	-124.3	174.4	-172.4	172.8	0	116.8
402	L	34.9	Very low	35.6	Very low	156 Å²	156	160.1 Å²	160.1	82%	0.817	79%	0.789	S	S	*	*	S	Bend	trans	-126.2	3.5	-175.7	-71.6	174.9	0	0	0	115.7
403	H	36.8	Very low	35.8	Very low	195 Å²	195	159.9 Å²	159.9	90%	0.903	79%	0.788	S	S	*	*	S	Bend	trans	-100.1	18.7	-171.4	-121.6	92.4	0	0	0	115.9
404	L	38.8	Very low	36	Very low	134 Å²	134	159.8 Å²	159.8	70%	0.702	79%	0.787	S	S	*	*	S	Bend	trans	-121.6	-17.4	-175.3	-103.3	159.7	0	0	0	115.6
405	N	42.8	Very low	36.4	Very low	126 Å²	126	159.3 Å²	159.3	67%	0.674	79%	0.785	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	3.2	-168.3	-72.5	25.6	0	0	0	116
406	F	38.5	Very low	37	Very low	131 Å²	131	159.4 Å²	159.4	58%	0.575	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	-24.8	179.9	-90.8	-80	0	0	0	114.5
407	Q	42.7	Very low	37.4	Very low	153 Å²	153	156.6 Å²	156.6	72%	0.715	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-44.7	-179.9	-147.5	71.7	16.3	0	0	111.2	L409 V410	Q407-L409 VanDerWaalsContact C-N 3.33Å; Q407-L409 PolarHBondContact O-N 3.25Å; Q407-V410 PolarHBondContact O-N 2.95Å
408	D	40.2	Very low	38.1	Very low	106 Å²	106	154.7 Å²	154.7	57%	0.567	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-69.8	-27.8	-174.2	-62.6	-14.9	0	0	0	113.5	V410 I411	D408-V410 PolarHBondContact O-N 3.19Å; D408-I411 PolarHBondContact O-N 2.99Å
409	L	37.8	Very low	38.8	Very low	127 Å²	127	154.3 Å²	154.3	67%	0.665	76%	0.758	S	S	*	*	G	3₁₀ helix	trans	-67.5	-20.8	178.4	-119.9	81.2	0	0	0	113.3	Q407	Q407-L409 VanDerWaalsContact C-N 3.33Å; Q407-L409 PolarHBondContact O-N 3.25Å
410	V	41.6	Very low	39.3	Very low	121 Å²	121	153.4 Å²	153.4	73%	0.733	75%	0.748	S	S	*	*	G	3₁₀ helix	trans	-84.9	-20.7	-178	-178.4	0	0	0	0	111.9	Q407 D408	Q407-V410 PolarHBondContact O-N 2.95Å; D408-V410 PolarHBondContact O-N 3.19Å
411	I	40.3	Very low	40.1	Very low	134 Å²	134	148.3 Å²	148.3	69%	0.687	73%	0.727	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-15.8	-172.1	-63.8	175.2	0	0	0	112.4	D408	D408-I411 PolarHBondContact O-N 2.99Å
412	K	35.2	Very low	41.1	Very low	173 Å²	173	144.3 Å²	144.3	75%	0.752	72%	0.715	S	S	*	*	S	Bend	trans	-124.6	72.2	-178.2	-70.4	-170.8	176.5	-177	0	114.4
413	Q	33.8	Very low	41.6	Very low	198 Å²	198	140.6 Å²	140.6	93%	0.925	70%	0.695	S	S	*	*				-175.6	154.8	127.7	-104.6	169	13.4	0	0	114.4
414	Q	37.2	Very low	42.6	Very low	188 Å²	188	138.6 Å²	138.6	88%	0.879	68%	0.684	S	S	*	*			trans	-127.7	91.4	172.5	180	-172.6	11.4	0	0	109.2
415	E	36.3	Very low	43.2	Very low	193 Å²	193	134.8 Å²	134.8	90%	0.902	68%	0.677	S	S	*	*	S	Bend	trans	-172.7	-175.6	147	-110.7	173.6	-165.7	0	0	111.1	D417	E415-D417 PolarHBondContact O-N 3.38Å
416	Q	45.9	Very low	43.8	Very low	195 Å²	195	134 Å²	134	91%	0.911	67%	0.669	S	S	*	*			trans	-75	109.9	-163	-63.6	177.4	-17.7	0	0	114.5
417	D	35.1	Very low	44.6	Very low	138 Å²	138	131.8 Å²	131.8	74%	0.738	67%	0.668	S	S	*	*			trans	-144.4	156.8	148.9	-145	-37.3	0	0	0	111.2	E415 N421	E415-D417 PolarHBondContact O-N 3.38Å; D417-N421 PolarHBondContact OD1-ND2 3.45Å; D417-N421 VanDerWaalsContact OD1-ND2 3.12Å
418	C	42.5	Very low	45.3	Very low	78 Å²	78	130.2 Å²	130.2	53%	0.527	66%	0.664	S	S	.	*			trans	-85.8	124.4	-171.3	-172.3	0	0	0	0	111.8	Y420 N421	C418-Y420 PolarHBondContact O-N 3.47Å; C418-N421 WeakPolarHBondContact O-CB 3.31Å; C418-N421 PolarHBondContact O-N 2.91Å
419	L	46.8	Very low	45.9	Very low	121 Å²	121	126.9 Å²	126.9	63%	0.634	65%	0.652	S	S	*	*	H	α-helix	trans	-48.5	-30.2	178.2	-135.7	168.9	0	0	0	113.7	N421 L422 L423	L419-N421 VanDerWaalsContact C-N 3.32Å; L419-N421 PolarHBondContact O-N 3.49Å; L419-L422 PolarHBondContact O-N 3.2Å; L419-L423 HydrophobicContact CD2-CD1 3.87Å; L419-L423 HydrophobicContact CD2-CG 4.11Å; L419-L423 PolarHBondContact O-N 3.33Å
420	Y	47.3	Very low	46.6	Very low	157 Å²	157	124.9 Å²	124.9	62%	0.616	64%	0.641	S	S	*	*	H	α-helix	trans	-58	-36.5	173.5	179.3	-98.6	0	0	0	114	C418 K424	C418-Y420 PolarHBondContact O-N 3.47Å; Y420-K424 PolarHBondContact O-N 2.92Å
421	N	54.4	Low	47.3	Very low	89 Å²	89	125.9 Å²	125.9	48%	0.476	64%	0.639	S	S	.	*	H	α-helix	trans	-70.7	-38.8	179.7	-68.2	-26.9	0	0	0	111.4	D417 C418 L419 K424	D417-N421 PolarHBondContact OD1-ND2 3.45Å; D417-N421 VanDerWaalsContact OD1-ND2 3.12Å; C418-N421 WeakPolarHBondContact O-CB 3.31Å; C418-N421 PolarHBondContact O-N 2.91Å; L419-N421 VanDerWaalsContact C-N 3.32Å; L419-N421 PolarHBondContact O-N 3.49Å; N421-K424 WeakPolarHBondContact O-CB 3.44Å; N421-K424 PolarHBondContact O-N 3Å
422	L	53.4	Low	47.9	Very low	118 Å²	118	127 Å²	127	62%	0.618	65%	0.646	S	S	*	*	H	α-helix	trans	-65.2	-47.6	179.7	-170.3	69.2	0	0	0	111.5	L419 K424 G425	L419-L422 PolarHBondContact O-N 3.2Å; L422-K424 PolarHBondContact O-N 3.31Å; L422-K424 VanDerWaalsContact O-N 3.16Å; L422-G425 PolarHBondContact O-N 3.16Å; L422-G425 VanDerWaalsContact O-N 3.13Å
423	L	47.2	Very low	48.7	Very low	78 Å²	78	124.9 Å²	124.9	41%	0.408	64%	0.642	S	S	.	*	H	α-helix	trans	-63.2	-19.9	177.9	-71.9	167.2	0	0	0	113.6	L419 G425 L430	L419-L423 HydrophobicContact CD2-CD1 3.87Å; L419-L423 HydrophobicContact CD2-CG 4.11Å; L419-L423 PolarHBondContact O-N 3.33Å; L423-G425 VanDerWaalsContact C-N 3.34Å; L423-L430 HydrophobicContact CD2-CD2 4.38Å
424	K	55.9	Low	49.4	Very low	153 Å²	153	118.6 Å²	118.6	67%	0.665	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	-17.2	178	-162.5	175.8	-179.1	179.9	0	113.4	Y420 N421 L422	Y420-K424 PolarHBondContact O-N 2.92Å; N421-K424 WeakPolarHBondContact O-CB 3.44Å; N421-K424 PolarHBondContact O-N 3Å; L422-K424 PolarHBondContact O-N 3.31Å; L422-K424 VanDerWaalsContact O-N 3.16Å
425	G	53.1	Low	50.1	Low	53 Å²	53	114.4 Å²	114.4	55%	0.546	61%	0.613	S	S	.	*	S	Bend	trans	-79.1	-23.9	179.3	0	0	0	0	0	114.7	L422 L423	L422-G425 PolarHBondContact O-N 3.16Å; L422-G425 VanDerWaalsContact O-N 3.13Å; L423-G425 VanDerWaalsContact C-N 3.34Å
426	H	55.1	Low	51.2	Low	110 Å²	110	108.4 Å²	108.4	51%	0.509	60%	0.597	S	S	.	*			trans	-126.7	80.3	-173.5	-66.9	-76.9	0	0	0	111.2	D428 A429	H426-D428 PolarHBondContact O-N 3.38Å; H426-A429 HydrophobicContact CB-CB 4.15Å; H426-A429 PolarHBondContact O-N 3.41Å
427	P	54	Low	51.1	Low	85 Å²	85	104.8 Å²	104.8	55%	0.552	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-61.7	-31.6	-176.6	25.7	-34.6	0	0	0	112.9	A429 L430	P427-A429 VanDerWaalsContact C-N 3.33Å; P427-A429 PolarHBondContact O-N 3.24Å; P427-L430 WeakPolarHBondContact O-CB 3.49Å; P427-L430 PolarHBondContact O-N 3.4Å
428	D	57.6	Low	52	Low	120 Å²	120	101.5 Å²	101.5	64%	0.642	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-70.7	-29.3	-176.7	-48.1	-60.8	0	0	0	112.5	H426 L430 M431	H426-D428 PolarHBondContact O-N 3.38Å; D428-L430 PolarHBondContact O-N 3.1Å; D428-M431 PolarHBondContact O-N 3.27Å
429	A	54.2	Low	52.9	Low	36 Å²	36	102.4 Å²	102.4	30%	0.298	60%	0.599	S	S	.	*	G	3₁₀ helix	trans	-67.4	-25	176	0	0	0	0	0	112.7	H426 P427 M431 L432	H426-A429 HydrophobicContact CB-CB 4.15Å; H426-A429 PolarHBondContact O-N 3.41Å; P427-A429 VanDerWaalsContact C-N 3.33Å; P427-A429 PolarHBondContact O-N 3.24Å; A429-M431 VanDerWaalsContact C-N 3.3Å; A429-M431 PolarHBondContact O-N 3.1Å; A429-L432 PolarHBondContact O-N 3Å
430	L	51.8	Low	52.8	Low	85 Å²	85	102.8 Å²	102.8	45%	0.445	61%	0.606	S	S	.	*	G	3₁₀ helix	trans	-72	-21.2	177.8	-69.5	167	0	0	0	113	L423 P427 D428 L432 L433	L423-L430 HydrophobicContact CD2-CD2 4.38Å; P427-L430 WeakPolarHBondContact O-CB 3.49Å; P427-L430 PolarHBondContact O-N 3.4Å; D428-L430 PolarHBondContact O-N 3.1Å; L430-L432 VanDerWaalsContact C-N 3.32Å; L430-L433 PolarHBondContact O-N 2.87Å
431	M	55.4	Low	53	Low	142 Å²	142	102 Å²	102	70%	0.7	61%	0.611	S	S	*	*	G	3₁₀ helix	trans	-67.7	-32.5	172.9	-73.5	-162.2	-63.5	0	0	112.5	D428 A429 L433 A434	D428-M431 PolarHBondContact O-N 3.27Å; A429-M431 VanDerWaalsContact C-N 3.3Å; A429-M431 PolarHBondContact O-N 3.1Å; M431-L433 PolarHBondContact O-N 3.42Å; M431-A434 WeakPolarHBondContact O-CB 3.48Å; M431-A434 PolarHBondContact O-N 3.39Å
432	L	54.3	Low	52.4	Low	157 Å²	157	104.3 Å²	104.3	82%	0.822	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-74.6	-8.1	178.9	-64.5	172	0	0	0	113.2	A429 L430	A429-L432 PolarHBondContact O-N 3Å; L430-L432 VanDerWaalsContact C-N 3.32Å
433	L	50.3	Low	51.5	Low	129 Å²	129	103.9 Å²	103.9	68%	0.675	63%	0.629	S	S	*	*	G	3₁₀ helix	trans	-108.1	8.6	175.9	-64.7	171.8	0	0	0	112.6	L430 M431	L430-L433 PolarHBondContact O-N 2.87Å; M431-L433 PolarHBondContact O-N 3.42Å
434	A	49.7	Very low	50.8	Low	66 Å²	66	106.3 Å²	106.3	55%	0.545	64%	0.642	S	S	.	*	S	Bend	trans	-73.3	132.6	175.8	0	0	0	0	0	110.9	M431 A436	M431-A434 WeakPolarHBondContact O-CB 3.48Å; M431-A434 PolarHBondContact O-N 3.39Å; A434-A436 PolarHBondContact O-N 3.3Å
435	P	51.6	Low	49.8	Very low	99 Å²	99	105.3 Å²	105.3	64%	0.643	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-60.2	135.5	-179.7	-24.4	33.7	0	0	0	113.2	D439	P435-D439 WeakPolarHBondContact CA-OD2 3.49Å; P435-D439 HydrophobicContact CB-CB 4.13Å
436	A	60.1	Low	49.2	Very low	68 Å²	68	111.4 Å²	111.4	56%	0.562	66%	0.655	S	S	*	*	P	Polyproline II helix	trans	-81.2	165.5	175.4	0	0	0	0	0	111.9	A434 G438 D439	A434-A436 PolarHBondContact O-N 3.3Å; A436-G438 VanDerWaalsContact C-N 3.28Å; A436-G438 PolarHBondContact O-N 3.37Å; A436-D439 PolarHBondContact N-OD2 2.82Å; A436-D439 PolarHBondContact O-N 3.3Å
437	A	42.6	Very low	48.2	Very low	118 Å²	118	110.6 Å²	110.6	98%	0.975	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	80.1	178.6	0	0	0	0	0	112
438	G	54.5	Low	47.1	Very low	70 Å²	70	118 Å²	118	72%	0.722	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	159.6	-17.4	-177.4	0	0	0	0	0	113.7	A436	A436-G438 VanDerWaalsContact C-N 3.28Å; A436-G438 PolarHBondContact O-N 3.37Å
439	D	61.5	Low	46	Very low	97 Å²	97	118.2 Å²	118.2	52%	0.519	69%	0.687	S	S	.	*			trans	-70.2	138.2	-175	-65.8	-24.2	0	0	0	112.9	P435 A436 I441	P435-D439 WeakPolarHBondContact CA-OD2 3.49Å; P435-D439 HydrophobicContact CB-CB 4.13Å; A436-D439 PolarHBondContact N-OD2 2.82Å; A436-D439 PolarHBondContact O-N 3.3Å; D439-I441 PolarHBondContact O-N 2.66Å
440	T	45.4	Very low	44.9	Very low	129 Å²	129	119.7 Å²	119.7	79%	0.791	71%	0.706	S	S	*	*			trans	-88.2	101.5	-176.9	-60.1	0	0	0	0	110.7	I442	T440-I442 PolarHBondContact O-N 3.11Å
441	I	50.4	Low	43.9	Very low	139 Å²	139	121.8 Å²	121.8	71%	0.713	72%	0.722	S	S	*	*			trans	-69.9	117.4	178.9	-55.4	175.3	0	0	0	110.3	D439	D439-I441 PolarHBondContact O-N 2.66Å
442	I	42.2	Very low	42.8	Very low	138 Å²	138	123 Å²	123	71%	0.708	73%	0.726	S	S	*	*			trans	-97	107.5	171.1	-58.2	177.2	0	0	0	108.7	T440 L444	T440-I442 PolarHBondContact O-N 3.11Å; I442-L444 HydrophobicContact CG2-CD2 4.29Å; I442-L444 PolarHBondContact O-N 3.05Å
443	S	33.7	Very low	41.8	Very low	110 Å²	110	120.5 Å²	120.5	77%	0.769	72%	0.722	S	S	*	*			trans	-71.9	112.4	174.7	-62.3	0	0	0	0	111.2
444	L	33.8	Very low	40.8	Very low	129 Å²	129	123.1 Å²	123.1	68%	0.675	73%	0.731	S	S	*	*			trans	-97.4	106.9	167.8	-62.1	178.1	0	0	0	109.1	I442 F446	I442-L444 HydrophobicContact CG2-CD2 4.29Å; I442-L444 PolarHBondContact O-N 3.05Å; L444-F446 HydrophobicContact CB-CD2 4.34Å; L444-F446 HydrophobicContact CB-CE2 3.58Å; L444-F446 HydrophobicContact CB-CZ 4.06Å; L444-F446 HydrophobicContact CD1-CE2 4.45Å; L444-F446 HydrophobicContact CD1-CZ 4.37Å; L444-F446 WeakPolarHBondContact O-CD2 3.46Å
445	D	34.9	Very low	39.8	Very low	131 Å²	131	125 Å²	125	70%	0.701	74%	0.735	S	S	*	*			trans	-88.6	116.5	177.8	-175.4	13	0	0	0	111	S447	D445-S447 WeakPolarHBondContact OD1-CB 3.35Å; D445-S447 PolarHBondContact OD1-N 2.99Å; D445-S447 PolarHBondContact OD1-OG 3.38Å
446	F	40.2	Very low	38.7	Very low	182 Å²	182	127.9 Å²	127.9	80%	0.798	74%	0.74	S	S	*	*			trans	-100.8	12.4	178.4	-67	-80.9	0	0	0	113	L444 R448	L444-F446 HydrophobicContact CB-CD2 4.34Å; L444-F446 HydrophobicContact CB-CE2 3.58Å; L444-F446 HydrophobicContact CB-CZ 4.06Å; L444-F446 HydrophobicContact CD1-CE2 4.45Å; L444-F446 HydrophobicContact CD1-CZ 4.37Å; L444-F446 WeakPolarHBondContact O-CD2 3.46Å; F446-R448 VanDerWaalsContact C-N 3.34Å; F446-R448 PolarHBondContact O-N 3.34Å
447	S	32.9	Very low	37.2	Very low	93 Å²	93	131 Å²	131	65%	0.65	75%	0.746	S	S	*	*			trans	-83.8	47.3	-165.8	-48.9	0	0	0	0	115.8	D445	D445-S447 WeakPolarHBondContact OD1-CB 3.35Å; D445-S447 PolarHBondContact OD1-N 2.99Å; D445-S447 PolarHBondContact OD1-OG 3.38Å
448	R	31.1	Very low	36.6	Very low	239 Å²	239	133.5 Å²	133.5	90%	0.902	74%	0.743	S	S	*	*			trans	-158.4	111.8	169.2	-115.9	157.8	-166.7	174.8	4.2	116.5	F446	F446-R448 VanDerWaalsContact C-N 3.34Å; F446-R448 PolarHBondContact O-N 3.34Å
449	P	35	Very low	35.3	Very low	126 Å²	126	138 Å²	138	82%	0.818	74%	0.742	S	S	*	*			trans	-105.9	129.1	168.9	35.4	-27.2	0	0	0	113.3
450	G	30.9	Very low	33.7	Very low	67 Å²	67	140.7 Å²	140.7	69%	0.691	76%	0.757	S	S	*	*			trans	75.8	162.8	168.6	0	0	0	0	0	116.8
451	T	32.1	Very low	33.1	Very low	128 Å²	128	140.9 Å²	140.9	79%	0.785	76%	0.757	S	S	*	*			cis	-161.2	154.9	-7.6	-17.6	0	0	0	0	110.9
452	E	31.5	Very low	32.2	Very low	168 Å²	168	139.6 Å²	139.6	79%	0.785	76%	0.758	S	S	*	*			trans	67.3	118.3	159.8	-62.4	-175.1	-147.4	0	0	118.3
453	S	33.2	Very low	31.7	Very low	105 Å²	105	141 Å²	141	73%	0.734	77%	0.766	S	S	*	*				92.3	146.5	85.8	-59.5	0	0	0	0	111.9
454	E	28.9	Very low	31.4	Very low	184 Å²	184	146.3 Å²	146.3	86%	0.86	77%	0.771	S	S	*	*			cis	-137.8	173.7	28	-79.9	-171.2	131.4	0	0	116.1
455	T	28.9	Very low	31.3	Very low	104 Å²	104	147.6 Å²	147.6	64%	0.638	78%	0.778	S	S	*	*			trans	-43.1	159.3	170.1	41.5	0	0	0	0	116.9
456	H	28.5	Very low	31.1	Very low	161 Å²	161	147.3 Å²	147.3	75%	0.745	78%	0.777	S	S	*	*				-153.4	137	55	-95	-94.3	0	0	0	117.2
457	L	29.7	Very low	30.6	Very low	133 Å²	133	145.6 Å²	145.6	70%	0.696	78%	0.781	S	S	*	*			trans	30.2	117	133.9	-88.6	154.2	0	0	0	120
458	L	29.4	Very low	30.6	Very low	171 Å²	171	148.8 Å²	148.8	90%	0.895	79%	0.787	S	S	*	*				-143.2	144.2	110.3	-110.9	168.6	0	0	0	110
459	K	28.1	Very low	30.8	Very low	164 Å²	164	144.3 Å²	144.3	71%	0.713	78%	0.781	S	S	*	*			trans	-90.2	141	162.6	-69	-179.7	177.2	-179.7	0	107.3
460	D	27.8	Very low	30.6	Very low	154 Å²	154	144.1 Å²	144.1	82%	0.824	78%	0.779	S	S	*	*				-176.1	129.2	115.4	-86.9	-19.7	0	0	0	109.7
461	V	31.4	Very low	30.4	Very low	132 Å²	132	146.8 Å²	146.8	80%	0.8	79%	0.787	S	S	*	*			trans	-130	114.9	170.8	177.8	0	0	0	0	106.2	L463	V461-L463 PolarHBondContact O-N 3.18Å; V461-L463 VanDerWaalsContact O-N 3.15Å
462	P	31.8	Very low	30.4	Very low	112 Å²	112	146.7 Å²	146.7	73%	0.727	79%	0.792	S	S	*	*			trans	-72.4	110.3	-177.1	27.8	-33	0	0	0	110.5	Y464	P462-Y464 PolarHBondContact O-N 3.46Å
463	L	32.3	Very low	30.4	Very low	168 Å²	168	142.6 Å²	142.6	88%	0.88	80%	0.795	S	S	*	*			trans	-70.9	110.6	162.5	-75.7	167.1	0	0	0	108.6	V461	V461-L463 PolarHBondContact O-N 3.18Å; V461-L463 VanDerWaalsContact O-N 3.15Å
464	Y	27.8	Very low	30.2	Very low	222 Å²	222	141.1 Å²	141.1	87%	0.871	80%	0.796	S	S	*	*			trans	-105.6	94	164.2	-114.2	-81.3	0	0	0	109.3	P462	P462-Y464 PolarHBondContact O-N 3.46Å
465	N	31.3	Very low	30.2	Very low	155 Å²	155	142.7 Å²	142.7	83%	0.829	80%	0.8	S	S	*	*			trans	-150.8	78.1	171.6	-155.3	5.7	0	0	0	108.9
466	D	29.9	Very low	30.3	Very low	126 Å²	126	145 Å²	145	67%	0.674	81%	0.808	S	S	*	*			trans	-148	73.5	-175.3	-130.6	-17.1	0	0	0	111.7	M468	D466-M468 WeakPolarHBondContact OD1-CG 3.14Å
467	V	29.8	Very low	30.6	Very low	146 Å²	146	143.2 Å²	143.2	89%	0.885	81%	0.81	S	S	*	*			trans	-101.9	66.8	159.1	-174.6	0	0	0	0	107.9	L469	V467-L469 PolarHBondContact O-N 3.38Å; V467-L469 VanDerWaalsContact O-N 3.1Å
468	M	33.1	Very low	30.6	Very low	159 Å²	159	144.1 Å²	144.1	78%	0.783	82%	0.815	S	S	*	*			trans	-71.7	99.8	177.4	-85.9	-83.9	-110.6	0	0	111.4	D466	D466-M468 WeakPolarHBondContact OD1-CG 3.14Å
469	L	34.6	Very low	30.9	Very low	146 Å²	146	141.3 Å²	141.3	76%	0.764	81%	0.807	S	S	*	*			trans	-73.2	141.5	147.3	-74.7	175.3	0	0	0	108.7	V467	V467-L469 PolarHBondContact O-N 3.38Å; V467-L469 VanDerWaalsContact O-N 3.1Å
470	P	30.7	Very low	30.9	Very low	121 Å²	121	141.5 Å²	141.5	79%	0.786	82%	0.815	S	S	*	*			trans	-69.2	136.1	-173.4	28.1	-35.1	0	0	0	111.7
471	S	27.5	Very low	31.1	Very low	123 Å²	123	139.6 Å²	139.6	86%	0.86	81%	0.814	S	S	*	*			trans	-141.9	147.3	166.3	-84	0	0	0	0	111.5
472	S	32.3	Very low	31.6	Very low	126 Å²	126	138.7 Å²	138.7	88%	0.881	81%	0.811	S	S	*	*			trans	-81.5	151.1	-169.4	56.7	0	0	0	0	113.7
473	G	31.1	Very low	31.4	Very low	83 Å²	83	141.5 Å²	141.5	86%	0.856	82%	0.819	S	S	*	*			trans	178.5	130.8	156.6	0	0	0	0	0	115.4
474	G	28.9	Very low	31.2	Very low	73 Å²	73	137.8 Å²	137.8	75%	0.753	81%	0.812	S	S	*	*			trans	136.3	68.7	152.6	0	0	0	0	0	119.6
475	K	30	Very low	32.4	Very low	217 Å²	217	133 Å²	133	94%	0.943	81%	0.808	S	S	*	*				175.2	150.9	98.6	-94.1	170.6	179.3	175.5	0	114.6
476	L	29.3	Very low	32.3	Very low	153 Å²	153	132.6 Å²	132.6	80%	0.801	81%	0.812	S	S	*	*			trans	-81.1	167.1	172.2	-79.7	167.9	0	0	0	110.9
477	P	35	Very low	32.3	Very low	123 Å²	123	135 Å²	135	80%	0.799	82%	0.819	S	S	*	*			cis	-140.1	-177.4	32.4	41.8	-21.8	0	0	0	118.7
478	L	30.9	Very low	33.2	Very low	153 Å²	153	132.8 Å²	132.8	80%	0.801	81%	0.808	S	S	*	*			trans	-63.4	160.1	-179.8	-55.9	165.1	0	0	0	113.4
479	P	35	Very low	32.9	Very low	112 Å²	112	133.1 Å²	133.1	73%	0.727	81%	0.812	S	S	*	*				-145.1	148.4	90.6	36.2	-19.8	0	0	0	117.4
480	L	27.7	Very low	32.4	Very low	168 Å²	168	134.6 Å²	134.6	88%	0.88	82%	0.815	S	S	*	*			trans	53.4	116.3	143.4	-58.5	171.1	0	0	0	121.7
481	S	33	Very low	33.1	Very low	114 Å²	114	134.1 Å²	134.1	80%	0.797	81%	0.812	S	S	*	*			trans	-70.3	161.2	150	-32.1	0	0	0	0	110.8
482	P	41.6	Very low	33	Very low	113 Å²	113	132.6 Å²	132.6	73%	0.734	81%	0.807	S	S	*	*				-153.8	-171.7	73.6	39	-17.2	0	0	0	117.1
483	L	27.1	Very low	32.7	Very low	171 Å²	171	131.8 Å²	131.8	90%	0.895	80%	0.801	S	S	*	*			trans	93.4	156.3	162.7	-61.4	167.7	0	0	0	119.4
484	A	28.5	Very low	32.6	Very low	90 Å²	90	133.3 Å²	133.3	74%	0.744	80%	0.798	S	S	*	*			trans	-145.2	-152.1	-172.8	0	0	0	0	0	109.7
485	P	53.6	Low	32.5	Very low	121 Å²	121	135.9 Å²	135.9	79%	0.786	81%	0.805	S	S	*	*				-117.1	158.6	-94.7	38.3	-25.5	0	0	0	114.8
486	T	27.9	Very low	32.5	Very low	146 Å²	146	130.3 Å²	130.3	90%	0.896	80%	0.799	S	S	*	*			trans	-157.7	136	169.2	8.7	0	0	0	0	114.4
487	E	30	Very low	32.4	Very low	176 Å²	176	131.6 Å²	131.6	82%	0.822	80%	0.801	S	S	*	*			trans	-87.3	-163.4	150.1	-47.7	-179.4	116.6	0	0	109.1
488	P	50.3	Low	32.2	Very low	101 Å²	101	134.6 Å²	134.6	66%	0.656	81%	0.805	S	S	*	*			cis	-133.6	-163.6	-17.1	23.5	2.3	0	0	0	113.5
489	L	26.1	Very low	32.1	Very low	165 Å²	165	131.7 Å²	131.7	86%	0.864	80%	0.802	S	S	*	*			trans	110.8	153.1	150.1	-57.9	174.2	0	0	0	120.1
490	E	24.1	Very low	31.7	Very low	178 Å²	178	135.6 Å²	135.6	83%	0.832	81%	0.808	S	S	*	*			trans	-96.7	-155.3	-171.1	-36.9	178.3	141.7	0	0	112.2
491	P	45.5	Very low	32.4	Very low	111 Å²	111	132.4 Å²	132.4	72%	0.721	80%	0.797	S	S	*	*			cis	-136.8	-159.5	-17.2	30.9	-6.6	0	0	0	114.2
492	A	24.5	Very low	32.2	Very low	91 Å²	91	134 Å²	134	75%	0.752	80%	0.797	S	S	*	*			trans	82.3	148.6	160.8	0	0	0	0	0	117.6
493	S	27.3	Very low	31.4	Very low	108 Å²	108	132.4 Å²	132.4	76%	0.755	79%	0.789	S	S	*	*			cis	-177.7	160.9	-8.2	43.7	0	0	0	0	110.4
494	S	28.8	Very low	31.4	Very low	115 Å²	115	133.7 Å²	133.7	80%	0.804	79%	0.787	S	S	*	*			cis	178.4	134.2	-27.5	56	0	0	0	0	110.1
495	S	25.6	Very low	31.6	Very low	128 Å²	128	133.5 Å²	133.5	90%	0.895	79%	0.786	S	S	*	*			trans	-157.8	156.9	165.9	57.8	0	0	0	0	112.3
496	A	30.9	Very low	31	Very low	100 Å²	100	133.3 Å²	133.3	83%	0.826	78%	0.784	S	S	*	*			trans	-160.2	155.3	-175.3	0	0	0	0	0	113.3
497	E	27.8	Very low	31	Very low	180 Å²	180	130.6 Å²	130.6	84%	0.841	78%	0.777	S	S	*	*			trans	-163.5	125.2	152.2	-105.8	171.4	-162.8	0	0	106.1
498	E	30.2	Very low	31	Very low	186 Å²	186	129.9 Å²	129.9	87%	0.869	78%	0.778	S	S	*	*				69.4	135	90.9	-68.5	-144.2	156.7	0	0	115.3
499	A	28	Very low	29.9	Very low	91 Å²	91	130.4 Å²	130.4	75%	0.752	78%	0.784	S	S	*	*			cis	-156.1	174.1	-6.9	0	0	0	0	0	113.2
500	K	27.8	Very low	30.1	Very low	194 Å²	194	127.8 Å²	127.8	84%	0.843	78%	0.779	S	S	*	*			trans	-73	177.6	170.8	-87.6	-179.3	-179.8	176.4	0	111.5
501	P	42.7	Very low	30.2	Very low	102 Å²	102	128.8 Å²	128.8	66%	0.662	78%	0.781	S	S	*	*			cis	-155.8	172.9	30.1	46.3	-25.2	0	0	0	121.2
502	N	27.6	Very low	30.5	Very low	148 Å²	148	128.9 Å²	128.9	79%	0.791	78%	0.782	S	S	*	*			trans	62.1	159.3	139.2	-71.8	3.5	0	0	0	121.7
503	S	25.5	Very low	31.7	Very low	79 Å²	79	130.1 Å²	130.1	55%	0.552	78%	0.782	S	S	*	*			cis	-176	177.1	-23.8	55.1	0	0	0	0	110.5
504	F	27.6	Very low	31.8	Very low	198 Å²	198	131.9 Å²	131.9	87%	0.868	78%	0.783	S	S	*	*			trans	77.2	125	168.9	-68.1	-75.8	0	0	0	120.3
505	A	31	Very low	31.9	Very low	86 Å²	86	134.7 Å²	134.7	71%	0.711	78%	0.781	S	S	*	*			trans	-96	163.2	137.8	0	0	0	0	0	108.1
506	P	41.4	Very low	32.5	Very low	116 Å²	116	134 Å²	134	75%	0.753	77%	0.773	S	S	*	*				-157.8	165.6	89.9	41.8	-23.7	0	0	0	117.7
507	A	28.8	Very low	32.5	Very low	89 Å²	89	133.5 Å²	133.5	74%	0.736	76%	0.763	S	S	*	*			trans	62.6	161.8	141.6	0	0	0	0	0	120.1
508	L	29.8	Very low	32.6	Very low	162 Å²	162	132.9 Å²	132.9	85%	0.848	76%	0.76	S	S	*	*			cis	-155.3	162.6	-2.7	-154.2	76.8	0	0	0	111
509	S	27.6	Very low	32.6	Very low	111 Å²	111	130 Å²	130	78%	0.776	76%	0.755	S	S	*	*			trans	73.1	150.6	158.5	-131.6	0	0	0	0	117.6
510	S	28.7	Very low	32.6	Very low	110 Å²	110	133 Å²	133	77%	0.769	76%	0.759	S	S	*	*			cis	-138.5	156.1	7.7	56	0	0	0	0	114.4
511	K	27.1	Very low	32.6	Very low	199 Å²	199	130.6 Å²	130.6	87%	0.865	76%	0.755	S	S	*	*			trans	-117.6	-176.5	175.2	-99.1	-175.5	-179.1	-178.4	0	109.1
512	P	51.7	Low	32.6	Very low	114 Å²	114	130.3 Å²	130.3	74%	0.74	75%	0.753	S	S	*	*			cis	-122.5	-151	-21.2	34.9	-12.9	0	0	0	108.9
513	P	50.6	Low	32.9	Very low	116 Å²	116	131.1 Å²	131.1	75%	0.753	76%	0.757	S	S	*	*			cis	-127.9	-159.5	-5.4	44.4	-24.2	0	0	0	112.3
514	N	28.5	Very low	33.1	Very low	146 Å²	146	130.8 Å²	130.8	78%	0.781	77%	0.765	S	S	*	*			cis	-150.8	178.7	1.9	-155.1	16.5	0	0	0	112.9
515	K	30.3	Very low	33.2	Very low	174 Å²	174	130.4 Å²	130.4	76%	0.757	76%	0.764	S	S	*	*			trans	-142.3	165.2	159.6	-82.7	-166.3	173.6	-173.1	0	110
516	P	38.3	Very low	32.9	Very low	112 Å²	112	131 Å²	131	73%	0.727	76%	0.763	S	S	*	*				-115.5	160.4	87.6	-1.4	23.2	0	0	0	111.3
517	S	30.7	Very low	32.3	Very low	90 Å²	90	134.1 Å²	134.1	63%	0.629	77%	0.765	S	S	*	*			cis	77	139.6	38	98.9	0	0	0	0	113
518	E	30.3	Very low	32.5	Very low	168 Å²	168	134.7 Å²	134.7	79%	0.785	76%	0.761	S	S	*	*			cis	-167.7	169.1	7.3	-139.4	162.6	-165	0	0	111.6
519	V	29.8	Very low	32.6	Very low	126 Å²	126	135.8 Å²	135.8	76%	0.764	76%	0.764	S	S	*	*			trans	67.6	137	159.6	175.6	0	0	0	0	117.2
520	D	28.1	Very low	32.6	Very low	154 Å²	154	137.2 Å²	137.2	82%	0.824	76%	0.763	S	S	*	*			cis	-147.5	177.3	-5.5	-134.5	-29.5	0	0	0	112.4
521	N	27.4	Very low	32.7	Very low	143 Å²	143	138.2 Å²	138.2	77%	0.765	77%	0.765	S	S	*	*			trans	-115.3	-171.5	178.3	-137.9	8.3	0	0	0	110.2
522	P	43.5	Very low	32.9	Very low	95 Å²	95	137.6 Å²	137.6	62%	0.617	77%	0.765	S	S	*	*			cis	-134.5	167.8	-13.7	37.8	-19.4	0	0	0	116.2
523	L	33.1	Very low	32	Very low	166 Å²	166	139.9 Å²	139.9	87%	0.869	77%	0.767	S	S	*	*				154.1	120.6	128	-84.5	166.7	0	0	0	112
524	G	29.8	Very low	31	Very low	71 Å²	71	140.8 Å²	140.8	73%	0.732	77%	0.766	S	S	*	*			trans	151.7	80.6	176.7	0	0	0	0	0	112.1	S526	G524-S526 PolarHBondContact O-N 3.38Å; G524-S526 VanDerWaalsContact O-N 3.16Å
525	F	29.6	Very low	31.3	Very low	190 Å²	190	139.8 Å²	139.8	83%	0.833	77%	0.77	S	S	*	*			trans	-72.1	107.8	179.9	-87.7	-87.3	0	0	0	111.3	F527	F525-F527 AromaticContact CD1-CE2 3.98Å; F525-F527 HydrophobicContact CD1-CE2 3.98Å; F525-F527 HydrophobicContact CD1-CZ 4.39Å
526	S	25.9	Very low	31.5	Very low	99 Å²	99	138.4 Å²	138.4	69%	0.692	77%	0.771	S	S	*	*			trans	-114.4	135.1	159.8	179.4	0	0	0	0	108.3	G524 P528	G524-S526 PolarHBondContact O-N 3.38Å; G524-S526 VanDerWaalsContact O-N 3.16Å; S526-P528 WeakPolarHBondContact O-CD 3.17Å
527	F	28.3	Very low	31.2	Very low	182 Å²	182	143 Å²	143	80%	0.798	78%	0.78	S	S	*	*			trans	-110.4	95.5	171.9	-85.2	-77	0	0	0	109.4	F525	F525-F527 AromaticContact CD1-CE2 3.98Å; F525-F527 HydrophobicContact CD1-CE2 3.98Å; F525-F527 HydrophobicContact CD1-CZ 4.39Å
528	P	33.3	Very low	31.3	Very low	101 Å²	101	148 Å²	148	66%	0.656	79%	0.791	S	S	*	*			trans	-73.8	149.1	156.3	33.4	-32.5	0	0	0	109.1	S526	S526-P528 WeakPolarHBondContact O-CD 3.17Å
529	M	31.4	Very low	31.8	Very low	184 Å²	184	149 Å²	149	91%	0.906	80%	0.8	S	S	*	*			trans	-145.9	87.9	167.8	-151.9	172	-166.1	0	0	110.1
530	D	27.5	Very low	32	Very low	142 Å²	142	149.6 Å²	149.6	76%	0.759	80%	0.799	S	S	*	*			trans	-68.1	153.7	167	-61.6	-66.9	0	0	0	110.6
531	T	32.5	Very low	32.6	Very low	131 Å²	131	150 Å²	150	80%	0.804	80%	0.801	S	S	*	*			trans	-141.9	78.7	162.9	-61	0	0	0	0	107.9
532	E	30.2	Very low	32.9	Very low	186 Å²	186	150.3 Å²	150.3	87%	0.869	81%	0.807	S	S	*	*			trans	-68.3	134.6	166	-66	-169.9	132	0	0	109.8
533	M	32.6	Very low	32.5	Very low	161 Å²	161	155.2 Å²	155.2	79%	0.793	82%	0.822	S	S	*	*			trans	-147.8	94.2	166.8	-163.1	69.3	178.2	0	0	110.9
534	N	29.8	Very low	32.7	Very low	135 Å²	135	156.6 Å²	156.6	72%	0.722	82%	0.821	S	S	*	*			trans	52	90.6	164.1	-65.1	-18.4	0	0	0	118.5	D536	N534-D536 PolarHBondContact O-N 2.85Å
535	S	34.4	Very low	32.9	Very low	125 Å²	125	160 Å²	160	87%	0.874	82%	0.821	S	S	*	*			trans	-79	92.5	153.1	56.5	0	0	0	0	110.9
536	D	34.4	Very low	33	Very low	146 Å²	146	160.8 Å²	160.8	78%	0.781	83%	0.825	S	S	*	*			trans	-156.1	61.8	172.1	-140.6	-8.2	0	0	0	114.6	N534	N534-D536 PolarHBondContact O-N 2.85Å
537	F	31.7	Very low	33.4	Very low	209 Å²	209	160.8 Å²	160.8	92%	0.917	83%	0.831	S	S	*	*			trans	-134.2	114.9	171	-83.5	-76.6	0	0	0	113.1	L539	F537-L539 PolarHBondContact O-N 3.02Å
538	K	34.1	Very low	33.8	Very low	195 Å²	195	159.4 Å²	159.4	85%	0.848	83%	0.83	S	S	*	*			trans	-32.2	117.8	-177.7	-65.7	177.5	173	-175.4	0	117.4	D540	K538-D540 PolarHBondContact O-N 3.1Å; K538-D540 VanDerWaalsContact O-N 3.16Å
539	L	39.5	Very low	33.7	Very low	187 Å²	187	162.3 Å²	162.3	98%	0.979	84%	0.84	S	S	*	*	S	Bend	trans	-74.2	84.8	154.3	-74.4	165.9	0	0	0	110.2	F537	F537-L539 PolarHBondContact O-N 3.02Å
540	D	35.9	Very low	33.9	Very low	139 Å²	139	158.6 Å²	158.6	74%	0.743	83%	0.83	S	S	*	*			trans	-157.2	26.1	177.1	-156	14.8	0	0	0	114.9	K538	K538-D540 PolarHBondContact O-N 3.1Å; K538-D540 VanDerWaalsContact O-N 3.16Å
541	L	39.7	Very low	34.1	Very low	164 Å²	164	160.8 Å²	160.8	86%	0.859	84%	0.836	S	S	*	*	S	Bend	trans	-151.1	17.8	-174.9	-148	66.5	0	0	0	118.2
542	V	33.9	Very low	34.3	Very low	148 Å²	148	159.8 Å²	159.8	90%	0.897	83%	0.831	S	S	*	*	S	Bend	trans	-131.2	15.1	177.4	-150.7	0	0	0	0	114.2
543	E	35.6	Very low	34.3	Very low	198 Å²	198	159.7 Å²	159.7	93%	0.925	83%	0.828	S	S	*	*	S	Bend	trans	-108.3	38.6	177.3	-157.7	171.2	-137.6	0	0	112
544	K	37.3	Very low	34.3	Very low	196 Å²	196	158.5 Å²	158.5	85%	0.852	83%	0.83	S	S	*	*	S	Bend	trans	-147.8	29.4	-166.9	-132.8	167.6	-167.5	164.5	0	116.5
545	L	34.3	Very low	35	Very low	141 Å²	141	157 Å²	157	74%	0.738	83%	0.827	S	S	*	*	S	Bend	trans	-128.8	-5.7	-179.2	-137	78.1	0	0	0	116.4
546	F	31	Very low	34.6	Very low	207 Å²	207	160.3 Å²	160.3	91%	0.908	83%	0.827	S	S	*	*	S	Bend	trans	-129.1	40	-177.9	-70.6	-70.8	0	0	0	113.7
547	A	33.4	Very low	34.2	Very low	99 Å²	99	159.8 Å²	159.8	82%	0.818	82%	0.824	S	S	*	*			trans	-131.4	93.3	166.6	0	0	0	0	0	108.9
548	I	37.8	Very low	34.2	Very low	154 Å²	154	156.2 Å²	156.2	79%	0.79	82%	0.819	S	S	*	*			trans	-130.7	106.7	173.7	-59.2	178.1	0	0	0	107.3
549	D	30.3	Very low	34	Very low	161 Å²	161	155.9 Å²	155.9	86%	0.861	82%	0.82	S	S	*	*			trans	-115.1	127.4	165.7	-160	17	0	0	0	107
550	P	36.1	Very low	33.6	Very low	106 Å²	106	151.6 Å²	151.6	69%	0.688	81%	0.812	S	S	*	*			trans	-99.5	120.8	-165	34.9	-31.6	0	0	0	113.9
551	E	31.4	Very low	33.2	Very low	189 Å²	189	152.4 Å²	152.4	88%	0.883	81%	0.813	S	S	*	*			trans	-118.3	134.3	159.6	-77.1	-149.6	130.3	0	0	112.8
552	P	37.3	Very low	32.8	Very low	109 Å²	109	152.5 Å²	152.5	71%	0.708	81%	0.809	S	S	*	*			trans	-83.6	150.8	-179.9	34.4	-35.2	0	0	0	112.8
553	K	29.9	Very low	33	Very low	185 Å²	185	153.1 Å²	153.1	80%	0.804	81%	0.808	S	S	*	*			trans	-98.8	166.6	178.6	-72.7	-177.9	177	175.3	0	113.5
554	T	32.8	Very low	32.8	Very low	135 Å²	135	149.8 Å²	149.8	83%	0.828	81%	0.806	S	S	*	*			trans	86.2	147.4	164.3	82.9	0	0	0	0	114.7
555	P	43.1	Very low	32.8	Very low	104 Å²	104	148.2 Å²	148.2	68%	0.675	80%	0.802	S	S	*	*				-134.8	180	-100.6	30.6	-8.1	0	0	0	113.8
556	F	26.4	Very low	33.1	Very low	195 Å²	195	148.2 Å²	148.2	86%	0.855	80%	0.802	S	S	*	*				179.1	143.8	125.5	-104.7	-70.2	0	0	0	113.9
557	N	27.1	Very low	33.7	Very low	135 Å²	135	146.3 Å²	146.3	72%	0.722	80%	0.796	S	S	*	*			trans	47.1	116.1	155.8	-134.3	50.3	0	0	0	121.7
558	T	30.4	Very low	34.2	Very low	133 Å²	133	148.8 Å²	148.8	82%	0.816	79%	0.792	S	S	*	*			trans	-77.5	128.4	157.7	31.4	0	0	0	0	112.2
559	E	30.3	Very low	34.2	Very low	188 Å²	188	149.3 Å²	149.3	88%	0.879	79%	0.789	S	S	*	*			trans	-135.6	156.8	143	-70.9	-163.4	145.2	0	0	107.9
560	A	31.2	Very low	34.4	Very low	97 Å²	97	146.2 Å²	146.2	80%	0.802	79%	0.786	S	S	*	*			trans	-123.1	143.1	-164.2	0	0	0	0	0	113
561	M	28.2	Very low	34.7	Very low	157 Å²	157	146.8 Å²	146.8	77%	0.773	79%	0.789	S	S	*	*			trans	-161.9	117.6	149.4	-125.1	170.9	168	0	0	113.2
562	E	30.1	Very low	35.1	Very low	165 Å²	165	147.6 Å²	147.6	77%	0.771	79%	0.786	S	S	*	*			trans	60	150	137.3	-67.1	168.2	-170.3	0	0	122.2
563	D	39.5	Very low	35.4	Very low	162 Å²	162	149.6 Å²	149.6	87%	0.866	79%	0.789	S	S	*	*			trans	-72.4	145.1	-173.4	-57	-79.6	0	0	0	114
564	S	30.2	Very low	35.7	Very low	127 Å²	127	144.7 Å²	144.7	89%	0.888	78%	0.778	S	S	*	*			trans	-157.2	139.3	154.3	-80.8	0	0	0	0	111.8
565	E	39	Very low	36.4	Very low	163 Å²	163	146.5 Å²	146.5	76%	0.762	78%	0.779	S	S	*	*			trans	-55.6	151.5	-176.3	-52.7	168.8	157.4	0	0	113.8
566	L	40.5	Very low	36.3	Very low	142 Å²	142	148.7 Å²	148.7	74%	0.743	79%	0.785	S	S	*	*			trans	-172.1	78.9	139.2	-104.9	161.7	0	0	0	113.8	M568	L566-M568 HydrophobicContact CD2-CB 4.17Å; L566-M568 HydrophobicContact CD2-CE 3.36Å
567	E	43.3	Very low	37	Very low	166 Å²	166	147 Å²	147	78%	0.776	79%	0.785	S	S	*	*			trans	-78.1	117.2	153.2	178.6	-180	-140.9	0	0	108	F569	E567-F569 HydrophobicContact CG-CE2 4.15Å; E567-F569 HydrophobicContact CG-CZ 4.38Å
568	M	43.7	Very low	37.7	Very low	152 Å²	152	147.9 Å²	147.9	75%	0.749	79%	0.79	S	S	*	*			trans	-150.3	102.4	168.5	-131.7	-167.6	-58.6	0	0	114.7	L566	L566-M568 HydrophobicContact CD2-CB 4.17Å; L566-M568 HydrophobicContact CD2-CE 3.36Å
569	F	37.7	Very low	37.9	Very low	165 Å²	165	151.2 Å²	151.2	72%	0.724	79%	0.793	S	S	*	*			trans	-22.8	130.6	163.3	-54.1	-88.2	0	0	0	117	E567	E567-F569 HydrophobicContact CG-CE2 4.15Å; E567-F569 HydrophobicContact CG-CZ 4.38Å
570	A	33.6	Very low	38.2	Very low	95 Å²	95	151.2 Å²	151.2	79%	0.785	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-72.8	132.3	157.8	0	0	0	0	0	109.7	Y572	A570-Y572 PolarHBondContact O-N 3.48Å
571	P	42.7	Very low	38.3	Very low	118 Å²	118	153.8 Å²	153.8	77%	0.766	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-67	121.9	179.4	-22.8	34.3	0	0	0	112.9	I573	P571-I573 PolarHBondContact O-N 3.47Å
572	Y	39.5	Very low	38.6	Very low	207 Å²	207	152 Å²	152	81%	0.812	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-68.3	122.1	163.3	-179.8	-89.5	0	0	0	109	A570	A570-Y572 PolarHBondContact O-N 3.48Å
573	I	44.3	Very low	38.7	Very low	151 Å²	151	150 Å²	150	77%	0.774	80%	0.796	S	S	*	*			trans	-97.7	106.7	175.9	-57.3	174.5	0	0	0	107.3	P571	P571-I573 PolarHBondContact O-N 3.47Å
574	S	36.7	Very low	38.4	Very low	82 Å²	82	150.5 Å²	150.5	57%	0.573	80%	0.797	S	S	*	*			trans	-74.3	138.6	172.2	-148.4	0	0	0	0	109.7
575	M	46.3	Very low	38.5	Very low	173 Å²	173	147.7 Å²	147.7	85%	0.852	79%	0.789	S	S	*	*			trans	-95.4	107.8	164.6	-63.1	-163.7	-47.2	0	0	108.4
576	D	41.2	Very low	38.5	Very low	150 Å²	150	145.8 Å²	145.8	80%	0.802	79%	0.791	S	S	*	*			trans	-168.2	164.8	155	-91.9	-38.1	0	0	0	107.6
577	D	42.3	Very low	38.1	Very low	158 Å²	158	147.2 Å²	147.2	85%	0.845	80%	0.799	S	S	*	*			trans	56.6	85.8	177.4	-66.5	-33.3	0	0	0	118
578	D	40.3	Very low	37.4	Very low	155 Å²	155	146.5 Å²	146.5	83%	0.829	80%	0.796	S	S	*	*			trans	-169	82.4	131.3	-116.3	-18	0	0	0	113.4
579	F	34.5	Very low	37.2	Very low	203 Å²	203	144.5 Å²	144.5	89%	0.89	79%	0.794	S	S	*	*			trans	-148.6	74	164.4	-90.7	-69.5	0	0	0	111.5
580	Q	36.6	Very low	36.8	Very low	187 Å²	187	143.6 Å²	143.6	87%	0.874	80%	0.796	S	S	*	*			trans	-106.3	107.8	164.7	-64.5	-168.1	20	0	0	109.8	P582	Q580-P582 WeakPolarHBondContact O-CD 3.3Å
581	L	34.1	Very low	36.5	Very low	152 Å²	152	145.3 Å²	145.3	80%	0.796	80%	0.802	S	S	*	*			trans	-88	119.3	178.2	-70.1	169.5	0	0	0	110.5	C583	L581-C583 PolarHBondContact O-N 3.01Å
582	P	35.3	Very low	35.7	Very low	119 Å²	119	145.8 Å²	145.8	77%	0.773	81%	0.807	S	S	*	*			trans	-81	115	171.7	-8	26.3	0	0	0	110.3	Q580	Q580-P582 WeakPolarHBondContact O-CD 3.3Å
583	C	31.3	Very low	35.2	Very low	124 Å²	124	139 Å²	139	84%	0.838	80%	0.8	S	S	*	*			trans	-76.6	133	166.2	-65.6	0	0	0	0	110.1	L581	L581-C583 PolarHBondContact O-N 3.01Å
584	L	33.4	Very low	34.9	Very low	171 Å²	171	137.6 Å²	137.6	90%	0.895	80%	0.8	S	S	*	*			trans	-126.2	135.7	166.1	-71.8	176.8	0	0	0	110.2
585	G	32.7	Very low	34.5	Very low	69 Å²	69	140 Å²	140	71%	0.711	81%	0.812	S	S	*	*			trans	-85.8	-177.8	174	0	0	0	0	0	112.8
586	P	38.7	Very low	33.7	Very low	123 Å²	123	141.8 Å²	141.8	80%	0.799	82%	0.815	S	S	*	*			trans	-80.4	141.1	-173.4	32.7	-35	0	0	0	113.2
587	D	31.1	Very low	33.1	Very low	171 Å²	171	138.8 Å²	138.8	91%	0.914	81%	0.811	S	S	*	*			trans	-167.2	153.7	136.5	-97.7	-30.6	0	0	0	110
588	E	28.6	Very low	32.4	Very low	151 Å²	151	138 Å²	138	71%	0.706	81%	0.806	S	S	*	*			trans	-91.7	174.7	-179.8	-111.7	-150	108.4	0	0	111.8	L590	E588-L590 VanDerWaalsContact OE1-CD2 3.23Å; E588-L590 WeakPolarHBondContact OE1-CD2 3.46Å; E588-L590 VanDerWaalsContact OE1-CG 3.28Å; E588-L590 WeakPolarHBondContact OE1-CG 3.47Å; E588-L590 PolarHBondContact OE1-N 3.28Å
589	P	40	Very low	31.9	Very low	110 Å²	110	138.8 Å²	138.8	71%	0.714	80%	0.804	S	S	*	*			cis	-145.8	160.3	30.8	41	-20	0	0	0	120.4
590	L	29.3	Very low	31.5	Very low	147 Å²	147	134.4 Å²	134.4	77%	0.77	80%	0.799	S	S	*	*			trans	28.4	131.4	139.5	-53.5	178	0	0	0	123.2	E588	E588-L590 VanDerWaalsContact OE1-CD2 3.23Å; E588-L590 WeakPolarHBondContact OE1-CD2 3.46Å; E588-L590 VanDerWaalsContact OE1-CG 3.28Å; E588-L590 WeakPolarHBondContact OE1-CG 3.47Å; E588-L590 PolarHBondContact OE1-N 3.28Å
591	S	27.2	Very low	31	Very low	131 Å²	131	131.2 Å²	131.2	92%	0.916	80%	0.796	S	S	*	*			trans	-151.5	152.7	134.2	-170.6	0	0	0	0	110.4
592	C	25.9	Very low	31.7	Very low	128 Å²	128	129 Å²	129	87%	0.865	79%	0.791	S	S	*	*			trans	-140.5	135.9	-156.8	-175.9	0	0	0	0	116.9
593	G	29.3	Very low	31.4	Very low	64 Å²	64	129.4 Å²	129.4	66%	0.66	79%	0.791	S	S	*	*			trans	102	168.8	146.5	0	0	0	0	0	118.3
594	P	37.7	Very low	31.2	Very low	121 Å²	121	130.2 Å²	130.2	79%	0.786	79%	0.786	S	S	*	*			cis	-129.5	133.7	2.7	37.7	-20.9	0	0	0	117.2
595	V	29.3	Very low	30.8	Very low	134 Å²	134	128.8 Å²	128.8	81%	0.812	78%	0.784	S	S	*	*				46.2	120.5	123.3	-175.5	0	0	0	0	121.1
596	K	28.4	Very low	30.5	Very low	210 Å²	210	130.9 Å²	130.9	91%	0.913	78%	0.783	S	S	*	*				-154.5	150	117.9	-110.2	177.9	-175.5	-177.6	0	111.3
597	A	28.2	Very low	30.9	Very low	87 Å²	87	130.5 Å²	130.5	72%	0.719	78%	0.781	S	S	*	*			trans	-153.7	165.7	-170	0	0	0	0	0	112
598	L	28.4	Very low	30.6	Very low	142 Å²	142	130.3 Å²	130.3	74%	0.743	77%	0.774	S	S	*	*			trans	-173	119.2	142.1	-120.3	72.5	0	0	0	107.2
599	E	29.4	Very low	30.6	Very low	170 Å²	170	129.3 Å²	129.3	79%	0.794	77%	0.773	S	S	*	*				82.5	140.4	102.5	-83.3	175.7	-147.9	0	0	115.1
600	S	26.2	Very low	30	Very low	112 Å²	112	132.9 Å²	132.9	78%	0.783	78%	0.78	S	S	*	*			cis	-150.3	164	6.3	51.5	0	0	0	0	114.7
601	C	26.9	Very low	30	Very low	120 Å²	120	130.9 Å²	130.9	81%	0.811	78%	0.778	S	S	*	*			trans	-137.7	-163.6	171.1	-137.2	0	0	0	0	107.1
602	P	47.3	Very low	30.3	Very low	106 Å²	106	133.2 Å²	133.2	69%	0.688	77%	0.774	S	S	*	*			cis	-108.6	-144.7	13.1	14	13.8	0	0	0	111.9
603	V	29.1	Very low	31.4	Very low	127 Å²	127	133.2 Å²	133.2	77%	0.77	77%	0.773	S	S	*	*			cis	-158.8	145.7	18.5	-155.9	0	0	0	0	107.7
604	L	28.1	Very low	31.6	Very low	140 Å²	140	136.1 Å²	136.1	73%	0.733	78%	0.783	S	S	*	*			cis	106.1	97.1	8.8	-161.5	159.2	0	0	0	116.6
605	V	26	Very low	31.2	Very low	141 Å²	141	135.8 Å²	135.8	86%	0.855	78%	0.784	S	S	*	*			trans	-144.8	148.2	161.4	177.2	0	0	0	0	109.9
606	T	26.3	Very low	32	Very low	114 Å²	114	134.4 Å²	134.4	70%	0.699	78%	0.777	S	S	*	*			trans	-138.9	-174.8	-178	53	0	0	0	0	109.2
607	P	45.5	Very low	32.2	Very low	114 Å²	114	133.7 Å²	133.7	74%	0.74	78%	0.775	S	S	*	*			cis	-115.8	-137.8	-0.4	22.6	5.3	0	0	0	112
608	E	25.3	Very low	32.3	Very low	167 Å²	167	134.5 Å²	134.5	78%	0.78	78%	0.775	S	S	*	*			cis	-148.2	-161.8	22	-98.4	-145.7	66.7	0	0	113.9
609	L	28.5	Very low	32.6	Very low	130 Å²	130	132.2 Å²	132.2	68%	0.681	78%	0.777	S	S	*	*			trans	-84	156.8	-164.1	-75.2	68	0	0	0	116.3
610	H	27.5	Very low	33.7	Very low	185 Å²	185	129.4 Å²	129.4	86%	0.856	77%	0.773	S	S	*	*				-168.7	174.5	107.1	-101.2	-65.3	0	0	0	113.5
611	S	30.1	Very low	34	Very low	105 Å²	105	132.1 Å²	132.1	73%	0.734	77%	0.773	S	S	*	*			trans	-118.4	150.4	-150.3	52.6	0	0	0	0	116.7
612	H	34	Very low	34.3	Very low	180 Å²	180	130.9 Å²	130.9	83%	0.833	77%	0.766	S	S	*	*			trans	-80.6	171	164.4	-62.6	-70.9	0	0	0	113
613	P	49	Very low	33.7	Very low	129 Å²	129	136.5 Å²	136.5	84%	0.838	77%	0.773	S	S	*	*				-140.6	179.7	109.5	39.4	-27.2	0	0	0	115.4
614	S	32.1	Very low	33.8	Very low	124 Å²	124	136.6 Å²	136.6	87%	0.867	78%	0.775	S	S	*	*			trans	-115.1	176	-161.4	-27.8	0	0	0	0	115.4
615	S	29.9	Very low	34.1	Very low	115 Å²	115	134.9 Å²	134.9	80%	0.804	78%	0.78	S	S	*	*			trans	-99.2	150.4	176.7	-174	0	0	0	0	113.4
616	P	46.9	Very low	34.6	Very low	104 Å²	104	133.7 Å²	133.7	68%	0.675	78%	0.778	S	S	*	*			trans	-107.2	146.8	-175.7	38.8	-33.7	0	0	0	117.6
617	F	31.1	Very low	35.5	Very low	196 Å²	196	134.7 Å²	134.7	86%	0.86	79%	0.787	S	S	*	*			trans	10.8	157.3	132.3	-69.7	-105.2	0	0	0	121.2
618	S	31.8	Very low	35.1	Very low	103 Å²	103	133.7 Å²	133.7	72%	0.72	79%	0.788	S	S	*	*			cis	-175.5	-179.3	-19	-95	0	0	0	0	110.3
619	A	33.6	Very low	36.7	Very low	95 Å²	95	131.3 Å²	131.3	79%	0.785	79%	0.787	S	S	*	*			trans	-79.4	-170	-176.1	0	0	0	0	0	114.4
620	P	52.8	Low	37.7	Very low	111 Å²	111	131.5 Å²	131.5	72%	0.721	80%	0.796	S	S	*	*			cis	-152.3	-172.4	32.9	45.1	-21.9	0	0	0	120.7
621	E	31.8	Very low	38	Very low	169 Å²	169	131.3 Å²	131.3	79%	0.79	80%	0.796	S	S	*	*			trans	97.6	100	141.1	-93	178.5	-133.4	0	0	126.9
622	S	33.9	Very low	39.6	Very low	93 Å²	93	131.1 Å²	131.1	65%	0.65	79%	0.792	S	S	*	*				91	125.4	122.7	81.3	0	0	0	0	124.1
623	R	33.7	Very low	39.5	Very low	224 Å²	224	129.6 Å²	129.6	85%	0.845	80%	0.795	S	S	*	*				149.4	115	119.4	-80	-177.9	-172.8	-142.4	-1.5	118
624	T	32.8	Very low	38.6	Very low	130 Å²	130	126.6 Å²	126.6	80%	0.798	79%	0.787	S	S	*	*			trans	55	113.2	138.6	58.7	0	0	0	0	125.4
625	A	34.1	Very low	38.6	Very low	103 Å²	103	127.2 Å²	127.2	85%	0.851	79%	0.786	S	S	*	*				75.4	148.1	123.6	0	0	0	0	0	124.1
626	S	35.2	Very low	39.5	Very low	117 Å²	117	127.6 Å²	127.6	82%	0.818	79%	0.786	S	S	*	*			trans	-103.8	173.4	-176.1	-43	0	0	0	0	113.9
627	P	47.1	Very low	40.1	Very low	134 Å²	134	127.9 Å²	127.9	87%	0.87	79%	0.788	S	S	*	*				-148.2	-166.9	100	40.2	-22.8	0	0	0	115
628	A	35.4	Very low	40.7	Very low	94 Å²	94	124.3 Å²	124.3	78%	0.777	78%	0.784	S	S	*	*			trans	-128.1	-150.1	-173.6	0	0	0	0	0	114.3
629	P	60	Low	40.6	Very low	117 Å²	117	123.6 Å²	123.6	76%	0.76	78%	0.784	S	S	*	*				-111.4	-178.7	-110.5	41.7	-28.3	0	0	0	115.9
630	P	48.8	Very low	40.4	Very low	133 Å²	133	125.5 Å²	125.5	86%	0.864	79%	0.786	S	S	*	*				-148.8	-179.8	128.9	39.3	-22.7	0	0	0	117.1
631	E	35	Very low	39.3	Very low	181 Å²	181	127 Å²	127	85%	0.846	79%	0.794	S	S	*	*			trans	-130.9	-174.1	179.5	-130.6	-170.7	-152	0	0	109.1
632	P	62.2	Low	39.2	Very low	102 Å²	102	123.5 Å²	123.5	66%	0.662	79%	0.793	S	S	*	*			cis	-136.5	-145.3	-14.5	39.9	-18.1	0	0	0	113.9
633	V	33	Very low	38.9	Very low	148 Å²	148	123.9 Å²	123.9	90%	0.897	80%	0.802	S	S	*	*			trans	92.1	144.3	173.5	-174.7	0	0	0	0	115.5
634	G	29	Very low	38.8	Very low	65 Å²	65	121.1 Å²	121.1	67%	0.67	80%	0.804	S	S	*	*			cis	-174.4	-165.1	3.2	0	0	0	0	0	115.1
635	T	32.6	Very low	38.5	Very low	138 Å²	138	126.9 Å²	126.9	85%	0.847	81%	0.811	S	S	*	*			trans	-153.7	174.7	-168.9	45.6	0	0	0	0	113.2
636	P	49.2	Very low	38.3	Very low	122 Å²	122	128.8 Å²	128.8	79%	0.792	81%	0.812	S	S	*	*			cis	-126.2	-116	-15.9	25.9	1.5	0	0	0	115.8
637	P	59.5	Low	38	Very low	111 Å²	111	127.8 Å²	127.8	72%	0.721	81%	0.811	S	S	*	*			trans	-124.3	-171.6	-134.1	41.6	-19.5	0	0	0	116.2
638	P	44.4	Very low	37.1	Very low	120 Å²	120	129.7 Å²	129.7	78%	0.779	81%	0.808	S	S	*	*				-159.3	164.8	96.3	42.1	-22.4	0	0	0	120
639	A	29.2	Very low	37	Very low	88 Å²	88	131 Å²	131	73%	0.727	81%	0.808	S	S	*	*			trans	51.1	113.1	140.7	0	0	0	0	0	125.4
640	T	29.3	Very low	35.4	Very low	135 Å²	135	134.5 Å²	134.5	83%	0.828	82%	0.815	S	S	*	*				38.5	117.6	119.1	-40.6	0	0	0	0	122.8
641	V	29.6	Very low	34.5	Very low	144 Å²	144	137.5 Å²	137.5	87%	0.873	81%	0.814	S	S	*	*			trans	-142.4	143.5	143.3	177.5	0	0	0	0	109.3
642	A	28.5	Very low	34.4	Very low	95 Å²	95	138 Å²	138	79%	0.785	82%	0.817	S	S	*	*			trans	-109.7	149.1	174.1	0	0	0	0	0	111.9
643	A	29.4	Very low	32.9	Very low	101 Å²	101	139 Å²	139	84%	0.835	82%	0.821	S	S	*	*			trans	-148	129.3	172	0	0	0	0	0	111.5
644	N	30.2	Very low	33	Very low	166 Å²	166	137.4 Å²	137.4	89%	0.888	81%	0.813	S	S	*	*			trans	-73.7	141.7	177.9	-69.9	-30.8	0	0	0	111.8
645	R	27.1	Very low	33.4	Very low	250 Å²	250	142.5 Å²	142.5	94%	0.943	82%	0.824	S	S	*	*			trans	-146.6	125.3	149.3	-114.1	178.4	-174.6	-175.4	0.8	111.2
646	V	30.7	Very low	33.7	Very low	144 Å²	144	146.7 Å²	146.7	87%	0.873	82%	0.824	S	S	*	*			trans	-83.9	135	168.8	174.9	0	0	0	0	108.3
647	A	27	Very low	33.2	Very low	95 Å²	95	148 Å²	148	79%	0.785	82%	0.824	S	S	*	*			trans	-143	148.6	165.9	0	0	0	0	0	108.7
648	Q	29.7	Very low	32.1	Very low	175 Å²	175	149.5 Å²	149.5	82%	0.818	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-93.5	168.4	-177.7	-104.5	-173.5	-3.4	0	0	111.7
649	P	32.8	Very low	31.8	Very low	121 Å²	121	147.3 Å²	147.3	79%	0.786	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-69.4	141.6	-163.3	27.5	-35.9	0	0	0	113.5
650	E	26.9	Very low	32.1	Very low	191 Å²	191	146.6 Å²	146.6	89%	0.893	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-87.3	153.4	172.6	-66.7	-158.8	138.2	0	0	112.3
651	K	29.8	Very low	32.6	Very low	196 Å²	196	147 Å²	147	85%	0.852	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-72.4	154.8	-164.9	-65.5	172.2	177.1	176.8	0	113.8
652	E	31.6	Very low	33	Very low	192 Å²	192	145.4 Å²	145.4	90%	0.897	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-55	146.3	162.6	-56.6	176.4	143	0	0	111.7
653	V	32.3	Very low	33.5	Very low	123 Å²	123	146.1 Å²	146.1	75%	0.745	79%	0.785	S	S	*	*			trans	-112.2	111.8	178.6	178.5	0	0	0	0	109.5	L655	V653-L655 PolarHBondContact O-N 2.87Å
654	P	34.4	Very low	33.9	Very low	113 Å²	113	149.3 Å²	149.3	73%	0.734	78%	0.783	S	S	*	*			trans	-67	119.7	-178.4	-23	34.4	0	0	0	113.1	R656	P654-R656 PolarHBondContact O-N 2.68Å
655	L	36.9	Very low	34.4	Very low	172 Å²	172	150.1 Å²	150.1	90%	0.901	77%	0.773	S	S	*	*			trans	-77.6	55	-177.8	-76.7	172	0	0	0	114.1	V653	V653-L655 PolarHBondContact O-N 2.87Å
656	R	38.5	Very low	34.9	Very low	227 Å²	227	147.1 Å²	147.1	86%	0.857	77%	0.767	S	S	*	*			trans	-87.2	-1.8	178.4	-139	175.6	-169.6	179.4	4.4	115.2	P654	P654-R656 PolarHBondContact O-N 2.68Å
657	N	39.4	Very low	35.1	Very low	148 Å²	148	150.3 Å²	150.3	79%	0.791	76%	0.764	S	S	*	*	S	Bend	trans	-93.4	-1.8	-171.1	-73.5	-17.4	0	0	0	116
658	L	37.1	Very low	35.6	Very low	144 Å²	144	154 Å²	154	75%	0.754	76%	0.762	S	S	*	*	S	Bend	trans	-80.6	-22.9	-178.7	-159.7	65	0	0	0	113.6	A660	L658-A660 VanDerWaalsContact C-N 3.35Å; L658-A660 PolarHBondContact O-N 2.65Å
659	A	37.1	Very low	35.8	Very low	74 Å²	74	152.3 Å²	152.3	61%	0.612	76%	0.758	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-30.6	-178.2	0	0	0	0	0	113.8	Q661	A659-Q661 PolarHBondContact O-N 3.48Å
660	A	36.3	Very low	35.8	Very low	72 Å²	72	150 Å²	150	60%	0.595	74%	0.744	S	S	*	*	H	α-helix	trans	-68.2	-31.5	-170.2	0	0	0	0	0	114.4	L658	L658-A660 VanDerWaalsContact C-N 3.35Å; L658-A660 PolarHBondContact O-N 2.65Å
661	Q	38.8	Very low	36.1	Very low	143 Å²	143	147.5 Å²	147.5	67%	0.668	73%	0.732	S	S	*	*	H	α-helix	trans	-80.7	-14.9	-175.2	-71	-165.4	-4.4	0	0	114.7	A659	A659-Q661 PolarHBondContact O-N 3.48Å
662	N	38.3	Very low	36.3	Very low	112 Å²	112	144.3 Å²	144.3	60%	0.599	72%	0.724	S	S	*	*	H	α-helix	trans	-87.2	-20	-179.2	-76	-25.7	0	0	0	113.6	Q664	N662-Q664 PolarHBondContact O-N 2.96Å
663	V	38.1	Very low	36.2	Very low	109 Å²	109	143.9 Å²	143.9	66%	0.661	72%	0.719	S	S	*	*	H	α-helix	trans	-65.8	-39.7	178.7	-178.5	0	0	0	0	111.8	R665 K666	V663-R665 VanDerWaalsContact C-N 3.3Å; V663-R665 PolarHBondContact O-N 2.63Å; V663-K666 PolarHBondContact O-N 3.42Å
664	Q	38.4	Very low	36.2	Very low	168 Å²	168	146.4 Å²	146.4	79%	0.785	72%	0.723	S	S	*	*	G	3₁₀ helix	trans	-70.9	-17.8	-176.4	-75.8	-173.5	-21.6	0	0	114.6	N662	N662-Q664 PolarHBondContact O-N 2.96Å
665	R	41.1	Very low	36.2	Very low	183 Å²	183	147.7 Å²	147.7	69%	0.691	72%	0.722	S	S	*	*	G	3₁₀ helix	trans	-80.8	-19.6	177	-71.7	-170.3	173.6	100.2	-0.1	113.9	V663 R667	V663-R665 VanDerWaalsContact C-N 3.3Å; V663-R665 PolarHBondContact O-N 2.63Å; R665-R667 VanDerWaalsContact C-N 3.29Å; R665-R667 PolarHBondContact O-N 2.91Å
666	K	36.8	Very low	36	Very low	188 Å²	188	146.9 Å²	146.9	82%	0.817	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-71.2	-13.2	-179.3	-101.3	-171.9	175.1	-176.6	0	115.2	V663	V663-K666 PolarHBondContact O-N 3.42Å
667	R	36.4	Very low	35.6	Very low	211 Å²	211	144.9 Å²	144.9	80%	0.796	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-92.7	-2.5	-177.6	-82.1	-172.1	174.5	172.6	-1.2	116.3	R665 S670	R665-R667 VanDerWaalsContact C-N 3.29Å; R665-R667 PolarHBondContact O-N 2.91Å; R667-S670 PolarHBondContact O-OG 3.11Å
668	K	37	Very low	35.1	Very low	172 Å²	172	147.5 Å²	147.5	75%	0.748	73%	0.725	S	S	*	*	S	Bend	trans	-108.4	5	-179.4	-76.6	-158.7	169.4	-163.6	0	115.8
669	L	34.8	Very low	34.6	Very low	140 Å²	140	144.8 Å²	144.8	73%	0.733	73%	0.732	S	S	*	*	S	Bend	trans	-107	-7.8	175.1	-147.1	79.3	0	0	0	113.3
670	S	31.9	Very low	34.1	Very low	71 Å²	71	146.1 Å²	146.1	50%	0.497	74%	0.737	S	S	.	*	S	Bend	trans	-80	-43.3	179.2	40.1	0	0	0	0	112.7	R667 L672 K673	R667-S670 PolarHBondContact O-OG 3.11Å; S670-L672 PolarHBondContact O-N 3.04Å; S670-L672 VanDerWaalsContact O-N 3.13Å; S670-K673 PolarHBondContact O-N 3.41Å
671	E	33.6	Very low	33.6	Very low	139 Å²	139	149.8 Å²	149.8	65%	0.65	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	-11.8	-177.1	-62	173.9	142.6	0	0	113.6
672	L	33.5	Very low	33	Very low	130 Å²	130	148.2 Å²	148.2	68%	0.681	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.7	1.1	-179.7	-100.2	160.5	0	0	0	114.1	S670	S670-L672 PolarHBondContact O-N 3.04Å; S670-L672 VanDerWaalsContact O-N 3.13Å
673	K	30.6	Very low	32.4	Very low	182 Å²	182	150.7 Å²	150.7	79%	0.791	75%	0.754	S	S	*	*	S	Bend	trans	-99.3	-16.5	178.1	-94	-165.1	168.6	-165.5	0	115.5	S670	S670-K673 PolarHBondContact O-N 3.41Å
674	E	32.3	Very low	31.7	Very low	177 Å²	177	154 Å²	154	83%	0.827	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.9	4.6	-173.5	-64.7	-174.4	134.4	0	0	114.6
675	I	34.1	Very low	30.8	Very low	140 Å²	140	154.5 Å²	154.5	72%	0.718	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-7.9	-171.6	-65.2	177.1	0	0	0	113.3
676	I	32.4	Very low	30.5	Very low	155 Å²	155	150.7 Å²	150.7	80%	0.795	76%	0.763	S	S	*	*	S	Bend	trans	-123.6	50.5	-175.7	-39.9	-177.7	0	0	0	111.9
677	E	30.3	Very low	29.8	Very low	185 Å²	185	148.3 Å²	148.3	86%	0.864	76%	0.755	S	S	*	*			trans	-148.5	49.1	170.3	-147.9	167	-129.6	0	0	114.2
678	Q	28.9	Very low	29.3	Very low	203 Å²	203	146.6 Å²	146.6	95%	0.949	75%	0.753	S	S	*	*			trans	-137.7	115.7	163.4	-67.7	-168.1	1.4	0	0	110.8
679	G	25.8	Very low	28.7	Very low	87 Å²	87	142 Å²	142	90%	0.897	75%	0.754	S	S	*	*			trans	168.4	74.9	-178.2	0	0	0	0	0	112.6
680	S	26.9	Very low	28.4	Very low	101 Å²	101	145.4 Å²	145.4	71%	0.706	76%	0.764	S	S	*	*			trans	-93.5	152	-160.8	57.6	0	0	0	0	116.8
681	L	26.5	Very low	28	Very low	150 Å²	150	152.1 Å²	152.1	79%	0.785	78%	0.784	S	S	*	*			trans	67.5	154.9	153.8	-70.1	146.3	0	0	0	116.9
682	T	26	Very low	27.6	Very low	109 Å²	109	153.5 Å²	153.5	67%	0.669	80%	0.795	S	S	*	*			cis	-149.3	140.5	19.1	-19.3	0	0	0	0	111.8
683	Q	24.8	Very low	27.2	Very low	164 Å²	164	157 Å²	157	77%	0.766	80%	0.804	S	S	*	*				43.9	129.6	129.1	-171.8	166.2	-3.8	0	0	119.6
684	E	22.9	Very low	26.9	Very low	180 Å²	180	153 Å²	153	84%	0.841	81%	0.806	S	S	*	*				-132.9	179.1	50.9	-78.5	-172.4	138.8	0	0	117.1
685	Q	21.1	Very low	26.6	Very low	178 Å²	178	150.5 Å²	150.5	83%	0.832	80%	0.802	S	S	*	*			trans	-137.6	-177	-179.7	-118.7	-152.5	24.4	0	0	108.3
686	P	33.1	Very low	26.2	Very low	102 Å²	102	153 Å²	153	66%	0.662	81%	0.811	S	S	*	*			cis	-121.6	-145	-1.3	45.3	-29.7	0	0	0	110.5
687	E	23.9	Very low	26	Very low	139 Å²	139	153.2 Å²	153.2	65%	0.65	81%	0.813	S	S	*	*			cis	-154.4	164.7	-6.4	-116.1	-144.6	175.1	0	0	105.4
688	K	24.7	Very low	25.9	Very low	174 Å²	174	147.5 Å²	147.5	76%	0.757	80%	0.804	S	S	*	*			cis	-159.8	147.9	-3.9	-146.8	-171.7	-150.3	116.1	0	106.9
689	G	24.7	Very low	26.1	Very low	75 Å²	75	143.2 Å²	143.2	77%	0.773	80%	0.803	S	S	*	*			trans	176.2	132.4	172.2	0	0	0	0	0	115.5
690	K	27.6	Very low	26.1	Very low	213 Å²	213	144.7 Å²	144.7	93%	0.926	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-86.7	125.3	-177.7	-65.7	177.4	179.9	176.9	0	111.3
691	K	24.5	Very low	26.2	Very low	211 Å²	211	147.1 Å²	147.1	92%	0.917	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-81	122.4	161.3	-79.7	-171.7	172.6	-176	0	110
692	L	25.8	Very low	26.2	Very low	169 Å²	169	144.8 Å²	144.8	89%	0.885	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-79.9	156	159.6	-81.1	159.5	0	0	0	109.4
693	K	23.6	Very low	26.3	Very low	202 Å²	202	146.9 Å²	146.9	88%	0.878	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-71.2	138	168.8	-69.6	-177.2	176.4	-177.3	0	108.9
694	A	24.3	Very low	26.4	Very low	99 Å²	99	144.2 Å²	144.2	82%	0.818	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-77.2	137.4	166.3	0	0	0	0	0	109.4
695	T	25.8	Very low	26.6	Very low	124 Å²	124	143.7 Å²	143.7	76%	0.761	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-90.1	127.9	166	-54.5	0	0	0	0	107.6	L697	T695-L697 PolarHBondContact O-N 2.92Å
696	E	27.1	Very low	27.1	Very low	192 Å²	192	139.1 Å²	139.1	90%	0.897	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-73.4	121	176.7	-65.2	174.4	142.1	0	0	109.4
697	L	28	Very low	27.2	Very low	160 Å²	160	137.6 Å²	137.6	84%	0.838	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-91.8	134.7	166.7	-96	78.1	0	0	0	109.2	T695	T695-L697 PolarHBondContact O-N 2.92Å
698	G	28.7	Very low	28	Very low	65 Å²	65	133 Å²	133	67%	0.67	73%	0.733	S	S	*	*	P	Polyproline II helix	trans	-68.3	166	178.3	0	0	0	0	0	113.6	T700	G698-T700 PolarHBondContact O-N 3.1Å
699	A	31.7	Very low	28.9	Very low	113 Å²	113	127.7 Å²	127.7	93%	0.934	71%	0.713	S	S	*	*			trans	-65.6	102.3	-173.2	0	0	0	0	0	113.2
700	T	26.8	Very low	29.8	Very low	118 Å²	118	125.3 Å²	125.3	72%	0.724	68%	0.682	S	S	*	*			trans	-89.2	127	160	44.7	0	0	0	0	109.7	G698 T702	G698-T700 PolarHBondContact O-N 3.1Å; T700-T702 PolarHBondContact O-N 2.74Å
701	R	29.1	Very low	30.6	Very low	153 Å²	153	117.1 Å²	117.1	58%	0.577	65%	0.654	S	S	*	*			trans	-74.1	95.1	172.6	-90.6	177.7	161.5	175.3	-11.2	110.2	E316 I703	E316-R701 IonicContact OE1-CZ 2.8Å; E316-R701 VanDerWaalsContact OE1-CZ 3.27Å; E316-R701 IonicContact OE1-NH1 3.59Å; E316-R701 PolarHBondContact OE1-NH1 2.77Å; E316-R701 IonicContact OE1-NH2 3.1Å; E316-R701 PolarHBondContact OE1-NH2 2.88Å; E316-R701 IonicContact OE2-CZ 3.53Å; E316-R701 IonicContact OE2-NH1 2.72Å; E316-R701 PolarHBondContact OE2-NH1 2.6Å; E316-R701 IonicContact OE2-NH2 2.76Å; R701-I703 PolarHBondContact O-N 2.61Å
702	T	26.6	Very low	31.5	Very low	100 Å²	100	108.7 Å²	108.7	61%	0.613	62%	0.622	S	S	*	*			trans	-80	109.9	173.4	-52.6	0	0	0	0	110.1	T700 L704	T700-T702 PolarHBondContact O-N 2.74Å; T702-L704 HydrophobicContact CG2-CD2 3.78Å; T702-L704 HydrophobicContact CG2-CG 4.05Å; T702-L704 PolarHBondContact O-N 2.7Å
703	I	27.7	Very low	32.5	Very low	153 Å²	153	103.7 Å²	103.7	79%	0.785	59%	0.591	S	S	*	*			trans	-74.6	109.4	168.7	-60.2	175.2	0	0	0	107.7	R701	R701-I703 PolarHBondContact O-N 2.61Å
704	L	27.8	Very low	33.3	Very low	108 Å²	108	96.7 Å²	96.7	57%	0.565	56%	0.563	S	S	*	*			trans	-95.3	104.2	177.2	-69.8	174.7	0	0	0	110.4	Y93 T702 L706	Y93-L704 HydrophobicContact CE1-CD1 4.19Å; T702-L704 HydrophobicContact CG2-CD2 3.78Å; T702-L704 HydrophobicContact CG2-CG 4.05Å; T702-L704 PolarHBondContact O-N 2.7Å; L704-L706 PolarHBondContact O-N 3.46Å; L704-L706 VanDerWaalsContact O-N 3.07Å
705	L	27	Very low	34.3	Very low	170 Å²	170	95.2 Å²	95.2	89%	0.89	54%	0.541	S	S	*	.			trans	-72.1	93.4	162.6	-75.7	165.9	0	0	0	108.5	P707	L705-P707 WeakPolarHBondContact O-CD 3.35Å
706	L	31.6	Very low	35	Very low	82 Å²	82	92.3 Å²	92.3	43%	0.429	54%	0.536	S	S	.	.			trans	-75.6	117.3	174.2	-80.9	159.8	0	0	0	110.1	L704 L710	L704-L706 PolarHBondContact O-N 3.46Å; L704-L706 VanDerWaalsContact O-N 3.07Å; L706-L710 HydrophobicContact CD2-CB 3.96Å; L706-L710 HydrophobicContact CD2-CD1 3.79Å; L706-L710 HydrophobicContact CD2-CG 4.47Å
707	P	34.2	Very low	35.3	Very low	70 Å²	70	88.6 Å²	88.6	46%	0.455	53%	0.526	S	S	.	.			trans	-70	157.5	167.2	33.2	-35.9	0	0	0	110.5	L705 D709 L710	L705-P707 WeakPolarHBondContact O-CD 3.35Å; P707-D709 VanDerWaalsContact C-N 3.3Å; P707-D709 VanDerWaalsContact C-OD1 3.32Å; P707-D709 WeakPolarHBondContact CB-OD1 3.48Å; P707-D709 VanDerWaalsContact CG-OD1 3.23Å; P707-D709 WeakPolarHBondContact CG-OD1 3.38Å; P707-D709 PolarHBondContact O-N 2.85Å; P707-L710 HydrophobicContact CG-CD1 4.49Å; P707-L710 PolarHBondContact O-N 3.29Å
708	S	41.3	Very low	35.6	Very low	43 Å²	43	87.3 Å²	87.3	30%	0.301	53%	0.525	S	S	.	.	H	α-helix	trans	-70.8	-22.9	-163.6	-68.3	0	0	0	0	114.4	D75 R199 L710 A711 S712	D75-S708 WeakPolarHBondContact OD2-CB 3.45Å; R199-S708 VanDerWaalsContact NH1-CB 3.26Å; R199-S708 PolarHBondContact NH1-OG 2.88Å; S708-L710 VanDerWaalsContact C-N 3.29Å; S708-L710 PolarHBondContact O-N 3.13Å; S708-A711 WeakPolarHBondContact O-CB 3.42Å; S708-A711 PolarHBondContact O-N 2.98Å; S708-S712 PolarHBondContact O-N 2.92Å; S708-S712 PolarHBondContact O-OG 3.41Å
709	D	42.2	Very low	35.9	Very low	62 Å²	62	90.1 Å²	90.1	33%	0.332	53%	0.534	S	S	.	.	H	α-helix	trans	-61.7	-31.1	174.1	62.2	-71.9	0	0	0	113.4	P707 R713	P707-D709 VanDerWaalsContact C-N 3.3Å; P707-D709 VanDerWaalsContact C-OD1 3.32Å; P707-D709 WeakPolarHBondContact CB-OD1 3.48Å; P707-D709 VanDerWaalsContact CG-OD1 3.23Å; P707-D709 WeakPolarHBondContact CG-OD1 3.38Å; P707-D709 PolarHBondContact O-N 2.85Å; D709-R713 VanDerWaalsContact O-CG 3.29Å; D709-R713 WeakPolarHBondContact O-CG 3.5Å; D709-R713 PolarHBondContact O-N 3Å; D709-R713 PolarHBondContact O-NE 3.43Å; D709-R713 IonicContact OD2-CZ 2.63Å; D709-R713 IonicContact OD2-NE 2.66Å; D709-R713 IonicContact OD2-NH2 2.71Å; D709-R713 PolarHBondContact OD2-NH2 2.93Å
710	L	44.9	Very low	35.9	Very low	24 Å²	24	92.3 Å²	92.3	13%	0.126	53%	0.53	C	S	.	.	H	α-helix	trans	-73.9	-37.4	175.1	-90.6	166.6	0	0	0	111.2	N90 Y93 L706 P707 S708 S712 R713 L714	N90-L710 VanDerWaalsContact OD1-CD2 3.29Å; N90-L710 WeakPolarHBondContact OD1-CD2 3.37Å; Y93-L710 HydrophobicContact CE2-CD2 4.15Å; L706-L710 HydrophobicContact CD2-CB 3.96Å; L706-L710 HydrophobicContact CD2-CD1 3.79Å; L706-L710 HydrophobicContact CD2-CG 4.47Å; P707-L710 HydrophobicContact CG-CD1 4.49Å; P707-L710 PolarHBondContact O-N 3.29Å; S708-L710 VanDerWaalsContact C-N 3.29Å; S708-L710 PolarHBondContact O-N 3.13Å; L710-S712 VanDerWaalsContact C-N 3.31Å; L710-S712 PolarHBondContact O-N 3.12Å; L710-R713 PolarHBondContact O-N 2.88Å; L710-L714 WeakPolarHBondContact O-CD1 3.34Å; L710-L714 WeakPolarHBondContact O-CG 3.3Å; L710-L714 PolarHBondContact O-N 3.31Å; L710-L714 VanDerWaalsContact O-N 3.14Å
711	A	44.8	Very low	36.4	Very low	41 Å²	41	90.9 Å²	90.9	34%	0.339	54%	0.54	S	S	.	.	H	α-helix	trans	-62.4	-37.5	174.9	0	0	0	0	0	112.3	S708	S708-A711 WeakPolarHBondContact O-CB 3.42Å; S708-A711 PolarHBondContact O-N 2.98Å
712	S	43.4	Very low	36.4	Very low	34 Å²	34	87 Å²	87	24%	0.238	55%	0.547	C	S	.	.	H	α-helix	trans	-65	-47.1	174	-56.2	0	0	0	0	112.5	L72 S708 L710 L714 L715	L72-S712 WeakPolarHBondContact CD2-OG 2.96Å; S708-S712 PolarHBondContact O-N 2.92Å; S708-S712 PolarHBondContact O-OG 3.41Å; L710-S712 VanDerWaalsContact C-N 3.31Å; L710-S712 PolarHBondContact O-N 3.12Å; S712-L714 VanDerWaalsContact C-N 3.31Å; S712-L714 PolarHBondContact O-N 3.47Å; S712-L715 PolarHBondContact O-N 2.92Å
713	R	44.8	Very low	36.9	Very low	65 Å²	65	86.5 Å²	86.5	25%	0.245	56%	0.562	C	S	.	*	H	α-helix	trans	-68.2	-28.7	-175	-71.8	-176.5	-78.2	178.2	3.2	113.1	T82 D709 L710 L715	T82-R713 VanDerWaalsContact CG2-CD 3.5Å; D709-R713 VanDerWaalsContact O-CG 3.29Å; D709-R713 WeakPolarHBondContact O-CG 3.5Å; D709-R713 PolarHBondContact O-N 3Å; D709-R713 PolarHBondContact O-NE 3.43Å; D709-R713 IonicContact OD2-CZ 2.63Å; D709-R713 IonicContact OD2-NE 2.66Å; D709-R713 IonicContact OD2-NH2 2.71Å; D709-R713 PolarHBondContact OD2-NH2 2.93Å; L710-R713 PolarHBondContact O-N 2.88Å; R713-L715 PolarHBondContact O-N 3.36Å
714	L	41.8	Very low	36.9	Very low	55 Å²	55	84.5 Å²	84.5	29%	0.288	56%	0.561	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60.4	-19	175.2	-83.5	163.3	0	0	0	115.2	N90 Y93 L710 S712	N90-L714 HydrophobicContact CB-CD2 3.87Å; N90-L714 HydrophobicContact CB-CG 4.36Å; N90-L714 WeakPolarHBondContact O-CD2 3.43Å; Y93-L714 HydrophobicContact CD2-CD2 4.37Å; L710-L714 WeakPolarHBondContact O-CD1 3.34Å; L710-L714 WeakPolarHBondContact O-CG 3.3Å; L710-L714 PolarHBondContact O-N 3.31Å; L710-L714 VanDerWaalsContact O-N 3.14Å; S712-L714 VanDerWaalsContact C-N 3.31Å; S712-L714 PolarHBondContact O-N 3.47Å
715	L	44.9	Very low	37.1	Very low	68 Å²	68	87.5 Å²	87.5	36%	0.356	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-116.1	5.1	-168.7	-54.9	-178.4	0	0	0	114.2	M68 Y112 S712 R713	M68-L715 HydrophobicContact CE-CD1 3.76Å; Y112-L715 HydrophobicContact CD2-CD1 4.24Å; Y112-L715 HydrophobicContact CE1-CD1 4.29Å; Y112-L715 HydrophobicContact CE1-CD2 4.37Å; Y112-L715 HydrophobicContact CE2-CD1 3.89Å; Y112-L715 HydrophobicContact CE2-CD2 3.94Å; Y112-L715 WeakPolarHBondContact OH-CD2 3.19Å; S712-L715 PolarHBondContact O-N 2.92Å; R713-L715 PolarHBondContact O-N 3.36Å
716	G	39.9	Very low	37.3	Very low	63 Å²	63	87.2 Å²	87.2	65%	0.649	58%	0.576	S	S	*	*			trans	-103.8	-12.2	-161	0	0	0	0	0	118.7
717	T	33.4	Very low	37.3	Very low	113 Å²	113	88.8 Å²	88.8	69%	0.693	59%	0.594	S	S	*	*			trans	-117.8	71.7	-156.5	60.9	0	0	0	0	116.3
718	T	34.8	Very low	37.2	Very low	133 Å²	133	92.7 Å²	92.7	82%	0.816	61%	0.61	S	S	*	*			trans	-143.9	71.8	154.4	56.9	0	0	0	0	113
719	S	34.2	Very low	36.8	Very low	124 Å²	124	95.8 Å²	95.8	87%	0.867	63%	0.629	S	S	*	*			trans	-160.5	142.7	153.4	-151.4	0	0	0	0	111.1
720	D	32.9	Very low	36.4	Very low	159 Å²	159	101.8 Å²	101.8	85%	0.85	66%	0.655	S	S	*	*			trans	-73.5	156.5	173.4	-92.8	-55.4	0	0	0	112.1	G722	D720-G722 PolarHBondContact O-N 3.47Å; D720-G722 VanDerWaalsContact O-N 3.09Å
721	G	37.3	Very low	36	Very low	89 Å²	89	106.7 Å²	106.7	92%	0.918	68%	0.68	S	S	*	*			trans	-65.5	106.9	-177.5	0	0	0	0	0	113.7
722	G	28.7	Very low	35.9	Very low	70 Å²	70	108.2 Å²	108.2	72%	0.722	69%	0.685	S	S	*	*			trans	-139.7	75.3	177.9	0	0	0	0	0	112.7	D720 S724	D720-G722 PolarHBondContact O-N 3.47Å; D720-G722 VanDerWaalsContact O-N 3.09Å; G722-S724 PolarHBondContact O-N 3.3Å
723	G	37.9	Very low	35.9	Very low	91 Å²	91	110.9 Å²	110.9	94%	0.938	70%	0.704	S	S	*	*			trans	-67	111.9	-176.4	0	0	0	0	0	113.7
724	S	27.9	Very low	35.8	Very low	110 Å²	110	117 Å²	117	77%	0.769	73%	0.729	S	S	*	*			trans	-145.5	133.5	166.8	-168.8	0	0	0	0	110.5	G722	G722-S724 PolarHBondContact O-N 3.3Å
725	L	31	Very low	35.9	Very low	171 Å²	171	117 Å²	117	90%	0.895	73%	0.729	S	S	*	*			trans	-74.8	125.7	179.7	-78	160.2	0	0	0	110.5	S727	L725-S727 PolarHBondContact O-N 3.06Å
726	L	32.1	Very low	35.9	Very low	165 Å²	165	118 Å²	118	86%	0.864	74%	0.741	S	S	*	*			trans	-70.1	93.7	179.4	-69.7	173	0	0	0	111.6	L728	L726-L728 PolarHBondContact O-N 2.92Å
727	S	30	Very low	36.1	Very low	115 Å²	115	122 Å²	122	80%	0.804	74%	0.743	S	S	*	*			trans	-73.1	115.3	162.2	-175.9	0	0	0	0	109.4	L725	L725-S727 PolarHBondContact O-N 3.06Å
728	L	32	Very low	36.5	Very low	152 Å²	152	118.6 Å²	118.6	80%	0.796	72%	0.721	S	S	*	*			trans	-61.8	147.3	169.3	-76	168.6	0	0	0	110.7	L726 Q730	L726-L728 PolarHBondContact O-N 2.92Å; L728-Q730 PolarHBondContact O-N 3.05Å
729	P	34.9	Very low	36.9	Very low	107 Å²	107	118.6 Å²	118.6	70%	0.695	72%	0.716	S	S	*	*			trans	-64.7	123.2	173.5	-19.7	32.4	0	0	0	110.9	L731	P729-L731 PolarHBondContact O-N 2.82Å
730	Q	33	Very low	36.9	Very low	189 Å²	189	116.7 Å²	116.7	88%	0.883	71%	0.709	S	S	*	*			trans	-77	103.7	178.2	-163.9	174.1	32	0	0	109.7	L728 T732	L728-Q730 PolarHBondContact O-N 3.05Å; Q730-T732 PolarHBondContact O-N 3.24Å
731	L	36.8	Very low	37.2	Very low	126 Å²	126	115 Å²	115	66%	0.66	71%	0.706	S	S	*	*			trans	-62.6	134.9	173.3	-82.2	82.4	0	0	0	110	P729 D735	P729-L731 PolarHBondContact O-N 2.82Å; L731-D735 HydrophobicContact CD2-CB 4.48Å
732	T	43.2	Very low	37.6	Very low	73 Å²	73	116.8 Å²	116.8	45%	0.448	69%	0.694	S	S	.	*			trans	-87.8	160.5	175.4	70.9	0	0	0	0	110.7	Q730 Y734 D735	Q730-T732 PolarHBondContact O-N 3.24Å; T732-Y734 PolarHBondContact O-N 3.22Å; T732-Y734 PolarHBondContact OG1-N 2.92Å; T732-D735 WeakPolarHBondContact CB-OD2 3.45Å; T732-D735 PolarHBondContact N-OD2 3.36Å; T732-D735 WeakPolarHBondContact O-CB 3.48Å; T732-D735 PolarHBondContact O-N 2.94Å; T732-D735 PolarHBondContact OG1-N 2.88Å; T732-D735 PolarHBondContact OG1-OD2 3.02Å
733	S	42.5	Very low	38.1	Very low	91 Å²	91	122.9 Å²	122.9	64%	0.636	70%	0.703	S	S	*	*	H	α-helix	trans	-55.4	-33.8	171.7	51.7	0	0	0	0	112.3	D735 C736 E737	S733-D735 VanDerWaalsContact C-N 3.27Å; S733-D735 PolarHBondContact O-N 2.72Å; S733-C736 PolarHBondContact O-N 2.88Å; S733-E737 PolarHBondContact O-N 3.09Å; S733-E737 VanDerWaalsContact O-N 3.11Å
734	Y	43.4	Very low	38.3	Very low	194 Å²	194	122 Å²	122	76%	0.761	70%	0.695	S	S	*	*	H	α-helix	trans	-65.6	-24.7	177.3	-162.2	-97.2	0	0	0	113.5	T732	T732-Y734 PolarHBondContact O-N 3.22Å; T732-Y734 PolarHBondContact OG1-N 2.92Å
735	D	44.2	Very low	39.2	Very low	54 Å²	54	128.4 Å²	128.4	29%	0.289	70%	0.702	S	S	.	*	H	α-helix	trans	-76.5	-25.8	172.2	-63.9	-69.4	0	0	0	112.5	K31 L731 T732 S733	K31-D735 IonicContact NZ-OD1 2.94Å; K31-D735 PolarHBondContact NZ-OD1 3.37Å; L731-D735 HydrophobicContact CD2-CB 4.48Å; T732-D735 WeakPolarHBondContact CB-OD2 3.45Å; T732-D735 PolarHBondContact N-OD2 3.36Å; T732-D735 WeakPolarHBondContact O-CB 3.48Å; T732-D735 PolarHBondContact O-N 2.94Å; T732-D735 PolarHBondContact OG1-N 2.88Å; T732-D735 PolarHBondContact OG1-OD2 3.02Å; S733-D735 VanDerWaalsContact C-N 3.27Å; S733-D735 PolarHBondContact O-N 2.72Å
736	C	44.3	Very low	39.9	Very low	90 Å²	90	128.6 Å²	128.6	61%	0.608	70%	0.698	S	S	*	*	H	α-helix	trans	-92.3	-19.4	-177.1	-65.6	0	0	0	0	113.7	S733 V738	S733-C736 PolarHBondContact O-N 2.88Å; C736-V738 PolarHBondContact O-N 3.29Å
737	E	44.1	Very low	40.9	Very low	147 Å²	147	132 Å²	132	69%	0.687	70%	0.701	S	S	*	*			trans	-74.2	42.9	-177.7	-79.8	-174.9	-162.9	0	0	114.8	S733	S733-E737 PolarHBondContact O-N 3.09Å; S733-E737 VanDerWaalsContact O-N 3.11Å
738	V	41.8	Very low	41.9	Very low	40 Å²	40	134.2 Å²	134.2	24%	0.242	70%	0.703	C	S	.	*	S	Bend	trans	-129.3	43.7	179.1	-157.2	0	0	0	0	112.6	A24 C736	A24-V738 HydrophobicContact CB-CB 4.42Å; A24-V738 HydrophobicContact CB-CG1 3.46Å; A24-V738 VanDerWaalsContact CB-CG1 3.46Å; A24-V738 HydrophobicContact CB-CG2 4Å; C736-V738 PolarHBondContact O-N 3.29Å
739	N	42.5	Very low	42.5	Very low	133 Å²	133	132.1 Å²	132.1	71%	0.711	69%	0.692	S	S	*	*			trans	-175.4	50.2	152.3	-98	-11.1	0	0	0	112.9	P741	N739-P741 WeakPolarHBondContact O-CD 3.39Å
740	A	35.2	Very low	43.6	Very low	85 Å²	85	134 Å²	134	70%	0.702	69%	0.692	S	S	*	*			trans	-78.7	112.1	171.1	0	0	0	0	0	111.1
741	P	38.9	Very low	44.3	Very low	122 Å²	122	127.6 Å²	127.6	79%	0.792	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-68.8	145.1	167.6	30.8	-34.3	0	0	0	109.8	N739	N739-P741 WeakPolarHBondContact O-CD 3.39Å
742	L	45.1	Very low	44.9	Very low	128 Å²	128	127.6 Å²	127.6	67%	0.67	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-74.3	144.7	174.6	-72.2	171	0	0	0	110.4	G744	L742-G744 PolarHBondContact O-N 2.94Å
743	Q	39.9	Very low	45.3	Very low	197 Å²	197	128.8 Å²	128.8	92%	0.921	67%	0.673	S	S	*	*	S	Bend	trans	-46	122.5	-167.3	-66.7	142.8	-38.1	0	0	114.4
744	G	42.2	Very low	45.6	Very low	73 Å²	73	128.9 Å²	128.9	75%	0.753	67%	0.666	S	S	*	*			trans	-177.7	56.2	-178.5	0	0	0	0	0	116.5	L742	L742-G744 PolarHBondContact O-N 2.94Å
745	R	46.7	Very low	45.9	Very low	244 Å²	244	124.7 Å²	124.7	92%	0.921	66%	0.656	S	S	*	*	S	Bend	trans	43.4	95.6	168.6	-68.1	-177	174.2	-176.9	-1.3	117.5
746	Q	45.5	Very low	46.2	Very low	176 Å²	176	128.8 Å²	128.8	82%	0.822	67%	0.668	S	S	*	*				-170.5	164.9	119.7	-102.4	170.8	47.6	0	0	109.8
747	Y	52.6	Low	46.4	Very low	237 Å²	237	126.7 Å²	126.7	93%	0.929	66%	0.656	S	S	*	*			trans	-86.3	120.5	-169.1	-63.2	-92	0	0	0	111.7
748	L	51.4	Low	46.5	Very low	160 Å²	160	124.9 Å²	124.9	84%	0.838	65%	0.651	S	S	*	*			trans	-134	133.6	165	-90.9	164.7	0	0	0	107.3	Q750	L748-Q750 PolarHBondContact O-N 3.42Å
749	L	45.2	Very low	46.9	Very low	108 Å²	108	128.2 Å²	128.2	57%	0.565	67%	0.668	S	S	*	*			trans	-57.9	124	-174.4	-68.5	165	0	0	0	110.7	E753 L754	L749-E753 HydrophobicContact CB-CB 4.2Å; L749-E753 HydrophobicContact CD2-CB 3.67Å; L749-L754 HydrophobicContact CB-CB 4.45Å; L749-L754 HydrophobicContact CD1-CD1 4.43Å
750	Q	57	Low	46.9	Very low	148 Å²	148	129.6 Å²	129.6	69%	0.692	67%	0.669	S	S	*	*			trans	-79.6	168.1	174.5	-59.4	-166.9	8.9	0	0	110.9	L748 E752 E753 L754	L748-Q750 PolarHBondContact O-N 3.42Å; Q750-E752 VanDerWaalsContact C-N 3.33Å; Q750-E752 PolarHBondContact O-N 2.99Å; Q750-E752 VanDerWaalsContact O-N 3.16Å; Q750-E753 PolarHBondContact N-OE2 3.21Å; Q750-E753 CarbonylContact O-C 3.54Å; Q750-E753 WeakPolarHBondContact O-CA 3.41Å; Q750-E753 WeakPolarHBondContact O-CB 3.39Å; Q750-E753 PolarHBondContact O-N 3.29Å; Q750-L754 PolarHBondContact O-N 2.81Å
751	G	47.4	Very low	47.3	Very low	53 Å²	53	131.1 Å²	131.1	55%	0.546	67%	0.67	S	S	.	*	H	α-helix	trans	-51.7	-43.8	-168.7	0	0	0	0	0	115.1	L755	G751-L755 WeakPolarHBondContact O-CB 3.45Å; G751-L755 VanDerWaalsContact O-CG 3.3Å; G751-L755 WeakPolarHBondContact O-CG 3.18Å; G751-L755 PolarHBondContact O-N 3.19Å
752	E	49.9	Very low	47.2	Very low	127 Å²	127	130.6 Å²	130.6	59%	0.593	66%	0.659	S	S	*	*	H	α-helix	trans	-68.6	-32.4	174.6	-76.2	-167.9	-152.9	0	0	113.8	Q750 R756	Q750-E752 VanDerWaalsContact C-N 3.33Å; Q750-E752 PolarHBondContact O-N 2.99Å; Q750-E752 VanDerWaalsContact O-N 3.16Å; E752-R756 WeakPolarHBondContact O-CB 3.34Å; E752-R756 WeakPolarHBondContact O-CG 3.42Å; E752-R756 PolarHBondContact O-N 3.47Å; E752-R756 IonicContact OE2-CZ 2.7Å; E752-R756 IonicContact OE2-NH2 2.69Å; E752-R756 PolarHBondContact OE2-NH2 2.94Å
753	E	51.1	Low	47.3	Very low	98 Å²	98	130.7 Å²	130.7	46%	0.458	66%	0.658	S	S	.	*	H	α-helix	trans	-75.8	-35.1	179.5	-53.4	178	128.1	0	0	110.7	L749 Q750 A757	L749-E753 HydrophobicContact CB-CB 4.2Å; L749-E753 HydrophobicContact CD2-CB 3.67Å; Q750-E753 PolarHBondContact N-OE2 3.21Å; Q750-E753 CarbonylContact O-C 3.54Å; Q750-E753 WeakPolarHBondContact O-CA 3.41Å; Q750-E753 WeakPolarHBondContact O-CB 3.39Å; Q750-E753 PolarHBondContact O-N 3.29Å; E753-A757 VanDerWaalsContact O-CB 3.26Å; E753-A757 WeakPolarHBondContact O-CB 3.49Å; E753-A757 PolarHBondContact O-N 2.86Å
754	L	48.2	Very low	47.7	Very low	92 Å²	92	127.2 Å²	127.2	48%	0.482	65%	0.645	S	S	.	*	H	α-helix	trans	-68.9	-42.5	172.4	-170	71.9	0	0	0	111.4	L749 Q750 A757 L758	L749-L754 HydrophobicContact CB-CB 4.45Å; L749-L754 HydrophobicContact CD1-CD1 4.43Å; Q750-L754 PolarHBondContact O-N 2.81Å; L754-A757 PolarHBondContact O-N 2.91Å; L754-L758 HydrophobicContact CG-CD1 4.45Å; L754-L758 WeakPolarHBondContact O-CG 3.4Å; L754-L758 PolarHBondContact O-N 3.3Å
755	L	49.7	Very low	48	Very low	106 Å²	106	130.2 Å²	130.2	56%	0.555	64%	0.639	S	S	*	*	H	α-helix	trans	-59.4	-50.8	172.3	-77.2	166.5	0	0	0	110.7	G751 A757 L758 D759	G751-L755 WeakPolarHBondContact O-CB 3.45Å; G751-L755 VanDerWaalsContact O-CG 3.3Å; G751-L755 WeakPolarHBondContact O-CG 3.18Å; G751-L755 PolarHBondContact O-N 3.19Å; L755-A757 VanDerWaalsContact C-N 3.27Å; L755-A757 PolarHBondContact O-N 2.88Å; L755-L758 WeakPolarHBondContact O-CB 3.45Å; L755-L758 PolarHBondContact O-N 2.82Å; L755-D759 VanDerWaalsContact O-CG 3.26Å; L755-D759 PolarHBondContact O-N 3.27Å
756	R	51.3	Low	48.1	Very low	141 Å²	141	123.5 Å²	123.5	53%	0.532	62%	0.622	S	S	.	*	H	α-helix	trans	-60.5	-35	175.8	-70	174.6	-146.3	-174	7	112.7	E752 L758 D759 H760	E752-R756 WeakPolarHBondContact O-CB 3.34Å; E752-R756 WeakPolarHBondContact O-CG 3.42Å; E752-R756 PolarHBondContact O-N 3.47Å; E752-R756 IonicContact OE2-CZ 2.7Å; E752-R756 IonicContact OE2-NH2 2.69Å; E752-R756 PolarHBondContact OE2-NH2 2.94Å; R756-L758 VanDerWaalsContact C-N 3.34Å; R756-D759 PolarHBondContact O-N 3.21Å; R756-H760 PolarHBondContact O-N 3.02Å; R756-H760 VanDerWaalsContact O-N 3.13Å; R756-H760 PolarHBondContact O-ND1 2.97Å
757	A	47.6	Very low	48.2	Very low	45 Å²	45	120.3 Å²	120.3	37%	0.372	61%	0.609	S	S	.	*	H	α-helix	trans	-68.4	-32.1	175.9	0	0	0	0	0	112.7	E753 L754 L755	E753-A757 VanDerWaalsContact O-CB 3.26Å; E753-A757 WeakPolarHBondContact O-CB 3.49Å; E753-A757 PolarHBondContact O-N 2.86Å; L754-A757 PolarHBondContact O-N 2.91Å; L755-A757 VanDerWaalsContact C-N 3.27Å; L755-A757 PolarHBondContact O-N 2.88Å
758	L	46.4	Very low	47.9	Very low	110 Å²	110	112.5 Å²	112.5	58%	0.576	59%	0.588	S	S	*	*	H	α-helix	trans	-75.3	-40.7	172.2	-68.5	164.5	0	0	0	111.5	L754 L755 R756 H760 V761	L754-L758 HydrophobicContact CG-CD1 4.45Å; L754-L758 WeakPolarHBondContact O-CG 3.4Å; L754-L758 PolarHBondContact O-N 3.3Å; L755-L758 WeakPolarHBondContact O-CB 3.45Å; L755-L758 PolarHBondContact O-N 2.82Å; R756-L758 VanDerWaalsContact C-N 3.34Å; L758-H760 PolarHBondContact O-N 3.43Å; L758-V761 PolarHBondContact O-N 2.87Å
759	D	50	Low	47.7	Very low	110 Å²	110	109.1 Å²	109.1	59%	0.588	57%	0.57	S	S	*	*	H	α-helix	trans	-64.6	-17.3	175.9	-65.2	-30.4	0	0	0	113.3	L755 R756 V761	L755-D759 VanDerWaalsContact O-CG 3.26Å; L755-D759 PolarHBondContact O-N 3.27Å; R756-D759 PolarHBondContact O-N 3.21Å; D759-V761 VanDerWaalsContact C-N 3.33Å
760	H	43.7	Very low	47.9	Very low	161 Å²	161	109.2 Å²	109.2	75%	0.745	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	15.6	172.4	-74.2	69	0	0	0	113.2	R756 L758	R756-H760 PolarHBondContact O-N 3.02Å; R756-H760 VanDerWaalsContact O-N 3.13Å; R756-H760 PolarHBondContact O-ND1 2.97Å; L758-H760 PolarHBondContact O-N 3.43Å
761	V	43.5	Very low	47.1	Very low	118 Å²	118	105.9 Å²	105.9	72%	0.715	56%	0.561	S	S	*	*			trans	-121.8	54	171.3	-166.3	0	0	0	0	110.7	L758 D759	L758-V761 PolarHBondContact O-N 2.87Å; D759-V761 VanDerWaalsContact C-N 3.33Å
762	I	36.3	Very low	47.1	Very low	110 Å²	110	110.7 Å²	110.7	56%	0.564	56%	0.562	S	S	*	*			trans	-140.5	0	162.8	-55.1	-177.2	0	0	0	109	N208 H210	N208-I762 HydrophobicContact CB-CG2 4.25Å; N208-I762 WeakPolarHBondContact CB-O 3.44Å; N208-I762 WeakPolarHBondContact CB-OXT 3.23Å; N208-I762 PolarHBondContact ND2-O 3.46Å; H210-I762 WeakPolarHBondContact CB-OXT 3.28Å; H210-I762 PolarHBondContact CD2-OXT 3.4Å

Retrieved 762 of 762 residues in 730.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).