G4VS61_SCHMA Loading...

Mitochondrial intermediate peptidase (M03 family)

AlphaFold DB , UniProt , Accession G4VS61, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 761 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.1	Very low	32	Very low	247 Å²	247	172.5 Å²	172.5	100%	1.217	84%	0.837	S	S	*	*				0	85.8	0	-72.2	-179	-169	0	0	109.5
2	A	32.1	Very low	31.6	Very low	83 Å²	83	170.4 Å²	170.4	69%	0.686	82%	0.821	S	S	*	*			trans	-143.9	87.5	171.9	0	0	0	0	0	107.5
3	W	31.8	Very low	31.7	Very low	244 Å²	244	168.1 Å²	168.1	92%	0.924	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-83.4	117.1	173.6	-81.9	43.4	0	0	0	107.6	H5	W3-H5 PolarHBondContact O-N 3.11Å
4	F	36.5	Very low	31.4	Very low	197 Å²	197	171.1 Å²	171.1	86%	0.864	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-72.6	119.6	178.2	-85.3	-90.8	0	0	0	110.2	L6	F4-L6 PolarHBondContact O-N 3.35Å
5	H	30.6	Very low	31.5	Very low	185 Å²	185	167.9 Å²	167.9	86%	0.856	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-60.4	116.9	171.7	-76	-85.4	0	0	0	111.2	W3	W3-H5 PolarHBondContact O-N 3.11Å
6	L	31.4	Very low	31.3	Very low	164 Å²	164	163 Å²	163	86%	0.859	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-92.8	125.6	159.3	-87.1	156.7	0	0	0	108.6	F4 L8	F4-L6 PolarHBondContact O-N 3.35Å; L6-L8 PolarHBondContact O-N 2.99Å
7	P	31.9	Very low	31.2	Very low	99 Å²	99	167.6 Å²	167.6	64%	0.643	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-78.6	119.6	-172.8	31.1	-32.7	0	0	0	110.8	Y9	P7-Y9 PolarHBondContact O-N 3.14Å
8	L	31.8	Very low	31.1	Very low	161 Å²	161	170.7 Å²	170.7	84%	0.843	81%	0.808	S	S	*	*			trans	-67	91.7	170	-75.4	161.4	0	0	0	110	L6 R10	L6-L8 PolarHBondContact O-N 2.99Å; L8-R10 VanDerWaalsContact C-N 3.28Å; L8-R10 PolarHBondContact O-N 3.18Å
9	Y	30.8	Very low	31.4	Very low	222 Å²	222	170.3 Å²	170.3	87%	0.871	81%	0.811	S	S	*	*			trans	-66.5	89.6	161.4	-91.2	-90.4	0	0	0	109	P7 S11	P7-Y9 PolarHBondContact O-N 3.14Å; Y9-S11 PolarHBondContact O-N 2.93Å
10	R	30.1	Very low	31.9	Very low	193 Å²	193	165.3 Å²	165.3	73%	0.728	80%	0.795	S	S	*	*			trans	-75.2	93.1	165	-78.8	-175.9	173.6	-179.7	-1.5	108.5	L8 F12	L8-R10 VanDerWaalsContact C-N 3.28Å; L8-R10 PolarHBondContact O-N 3.18Å; R10-F12 HydrophobicContact CB-CD2 4.18Å; R10-F12 HydrophobicContact CB-CE2 4.11Å; R10-F12 PolarHBondContact O-N 3.41Å; R10-F12 VanDerWaalsContact O-N 3.14Å
11	S	31.7	Very low	32.7	Very low	103 Å²	103	164 Å²	164	72%	0.72	80%	0.797	S	S	*	*			trans	-72.1	100.2	162.5	54.6	0	0	0	0	108.8	Y9 N13	Y9-S11 PolarHBondContact O-N 2.93Å; S11-N13 PolarHBondContact O-N 2.98Å
12	F	27.5	Very low	33.9	Very low	147 Å²	147	157.4 Å²	157.4	65%	0.645	76%	0.759	S	S	*	*			trans	-73.6	77.8	168.8	-86.2	-90.4	0	0	0	109.7	R10 Y14	R10-F12 HydrophobicContact CB-CD2 4.18Å; R10-F12 HydrophobicContact CB-CE2 4.11Å; R10-F12 PolarHBondContact O-N 3.41Å; R10-F12 VanDerWaalsContact O-N 3.14Å; F12-Y14 HydrophobicContact CD1-CD2 4.12Å; F12-Y14 AromaticContact CD1-CE2 3.87Å; F12-Y14 HydrophobicContact CD1-CE2 3.87Å; F12-Y14 HydrophobicContact CE1-CE2 4.31Å; F12-Y14 PolarHBondContact O-N 3.39Å
13	N	33.2	Very low	35.2	Very low	140 Å²	140	154.5 Å²	154.5	75%	0.749	74%	0.735	S	S	*	*			trans	-86.9	90.7	159.4	-80.6	-22.8	0	0	0	108	S11 V15	S11-N13 PolarHBondContact O-N 2.98Å; N13-V15 PolarHBondContact O-N 2.98Å
14	Y	27.5	Very low	36.5	Very low	211 Å²	211	151.1 Å²	151.1	83%	0.827	73%	0.727	S	S	*	*			trans	-63.7	80.7	162.5	-99.6	-91.1	0	0	0	108.5	F12 S16	F12-Y14 HydrophobicContact CD1-CD2 4.12Å; F12-Y14 AromaticContact CD1-CE2 3.87Å; F12-Y14 HydrophobicContact CD1-CE2 3.87Å; F12-Y14 HydrophobicContact CE1-CE2 4.31Å; F12-Y14 PolarHBondContact O-N 3.39Å; Y14-S16 PolarHBondContact O-N 2.79Å; Y14-S16 VanDerWaalsContact O-N 3.11Å
15	V	33.2	Very low	38.6	Very low	122 Å²	122	144 Å²	144	74%	0.739	70%	0.697	S	S	*	*			trans	-68	108.3	159.4	178.6	0	0	0	0	105.3	N13 R17	N13-V15 PolarHBondContact O-N 2.98Å; V15-R17 PolarHBondContact O-N 2.85Å
16	S	27.9	Very low	41.3	Very low	90 Å²	90	136.6 Å²	136.6	63%	0.629	67%	0.667	S	S	*	*			trans	-39.5	104.5	165.9	139.5	0	0	0	0	108.6	Y14 R18	Y14-S16 PolarHBondContact O-N 2.79Å; Y14-S16 VanDerWaalsContact O-N 3.11Å; S16-R18 PolarHBondContact O-N 2.83Å
17	R	29.6	Very low	44.1	Very low	241 Å²	241	134.3 Å²	134.3	91%	0.909	66%	0.661	S	S	*	*			trans	-66.8	81.8	165.2	-78.8	-178.6	174.2	178.8	-2.2	106.3	V15 L19	V15-R17 PolarHBondContact O-N 2.85Å; R17-L19 VanDerWaalsContact C-N 3.31Å; R17-L19 PolarHBondContact O-N 3.37Å
18	R	29.7	Very low	47	Very low	223 Å²	223	130 Å²	130	84%	0.842	63%	0.633	S	S	*	*			trans	-54.8	111.5	149.8	-81	-174.5	177.1	-178.4	-0.5	103.8	S16 S20	S16-R18 PolarHBondContact O-N 2.83Å; R18-S20 PolarHBondContact O-N 3.02Å
19	L	35.4	Very low	50	Low	164 Å²	164	122.3 Å²	122.3	86%	0.859	59%	0.593	S	S	*	*			trans	-54.3	93.5	168.3	-77.5	154.3	0	0	0	105.7	R17 T21	R17-L19 VanDerWaalsContact C-N 3.31Å; R17-L19 PolarHBondContact O-N 3.37Å; L19-T21 PolarHBondContact O-N 2.73Å
20	S	42.9	Very low	52.9	Low	70 Å²	70	113.6 Å²	113.6	49%	0.49	56%	0.561	S	S	.	*			trans	-62	108.9	174.6	164.9	0	0	0	0	105.5	R18 R22	R18-S20 PolarHBondContact O-N 3.02Å; S20-R22 PolarHBondContact O-N 2.85Å; S20-R22 WeakPolarHBondContact OG-CB 3.33Å; S20-R22 WeakPolarHBondContact OG-CD 3.13Å; S20-R22 WeakPolarHBondContact OG-CG 3.21Å
21	T	48.5	Very low	55.9	Low	137 Å²	137	105.3 Å²	105.3	84%	0.84	53%	0.534	S	S	*	.			trans	-69.6	26.7	176.3	54.8	0	0	0	0	112.3	L19	L19-T21 PolarHBondContact O-N 2.73Å
22	R	58.1	Low	58.9	Low	109 Å²	109	100.9 Å²	100.9	41%	0.411	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-95.1	138.3	-175	-60.5	176.5	-171.7	-169.6	-6.1	109.2	S20 K24 N480	S20-R22 PolarHBondContact O-N 2.85Å; S20-R22 WeakPolarHBondContact OG-CB 3.33Å; S20-R22 WeakPolarHBondContact OG-CD 3.13Å; S20-R22 WeakPolarHBondContact OG-CG 3.21Å; R22-K24 PolarHBondContact O-N 3.31Å; R22-N480 PolarHBondContact NH2-O 3.43Å
23	A	58.4	Low	62	Low	22 Å²	22	94.3 Å²	94.3	18%	0.182	47%	0.473	C	S	.	.	P	Polyproline II helix	trans	-65.2	119.4	161.9	0	0	0	0	0	108.6
24	K	60	Low	64.6	Low	174 Å²	174	90.1 Å²	90.1	76%	0.757	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-84.3	125.5	169.1	-74.8	-168.3	172	-165.9	0	108.6	R22	R22-K24 PolarHBondContact O-N 3.31Å
25	L	79.6	Confident	67.1	Low	46 Å²	46	83.5 Å²	83.5	24%	0.241	42%	0.424	C	S	.	.			trans	-97.8	-161.5	171.6	-63.2	179.7	0	0	0	109.2	A29 D30 A378 R546	L25-A29 HydrophobicContact CB-CB 3.43Å; L25-A29 VanDerWaalsContact CB-CB 3.43Å; L25-A29 HydrophobicContact CD1-CB 3.92Å; L25-A29 HydrophobicContact CG-CB 4.33Å; L25-D30 PolarHBondContact N-OD1 3.01Å; L25-A378 HydrophobicContact CD1-CB 4.37Å; L25-R546 HydrophobicContact CD2-CB 4.01Å; L25-R546 HydrophobicContact CD2-CG 3.69Å
26	S	87.7	Confident	68.7	Low	31 Å²	31	81.3 Å²	81.3	22%	0.217	41%	0.414	C	S	.	.			trans	-60.5	159.8	172.3	76.1	0	0	0	0	110.9	L28 A29 D30 E381	S26-L28 PolarHBondContact O-N 3.49Å; S26-L28 PolarHBondContact OG-N 2.86Å; S26-A29 PolarHBondContact O-N 3.06Å; S26-A29 VanDerWaalsContact O-N 3.15Å; S26-A29 WeakPolarHBondContact OG-CB 3.36Å; S26-A29 PolarHBondContact OG-N 3.38Å; S26-D30 WeakPolarHBondContact O-CB 3.08Å; S26-D30 PolarHBondContact O-N 2.97Å; S26-E381 WeakPolarHBondContact CB-OE2 3.49Å; S26-E381 PolarHBondContact OG-OE2 2.93Å
27	P	90.4	Very high	70.4	Confident	115 Å²	115	81.3 Å²	81.3	75%	0.747	41%	0.407	S	S	*	.	H	α-helix	trans	-54.5	-34.2	174.1	-26.8	35.6	0	0	0	113.7	A31	P27-A31 WeakPolarHBondContact O-CB 3.48Å; P27-A31 PolarHBondContact O-N 3.13Å; P27-A31 VanDerWaalsContact O-N 3.15Å
28	L	93.7	Very high	71.7	Confident	9 Å²	9	77.3 Å²	77.3	5%	0.047	40%	0.398	C	S	.	.	H	α-helix	trans	-67.3	-52	175.7	178.8	124.8	0	0	0	110.8	S26 D30 A31 F32 M380 L395 V397	S26-L28 PolarHBondContact O-N 3.49Å; S26-L28 PolarHBondContact OG-N 2.86Å; L28-D30 PolarHBondContact O-N 2.9Å; L28-A31 WeakPolarHBondContact O-CB 3.43Å; L28-A31 PolarHBondContact O-N 3.5Å; L28-F32 HydrophobicContact CG-CD2 4.38Å; L28-F32 HydrophobicContact CG-CE2 4.37Å; L28-F32 WeakPolarHBondContact O-CD2 3.5Å; L28-F32 PolarHBondContact O-N 3.25Å; L28-M380 HydrophobicContact CD2-CB 3.82Å; L28-M380 VanDerWaalsContact CD2-O 3.28Å; L28-M380 WeakPolarHBondContact CD2-O 3.32Å; L28-L395 HydrophobicContact CD1-CB 3.67Å; L28-L395 WeakPolarHBondContact CD1-O 3.35Å; L28-V397 HydrophobicContact CB-CG2 4.4Å; L28-V397 HydrophobicContact CD1-CG2 4.16Å; L28-V397 HydrophobicContact CG-CG2 4.25Å
29	A	93.8	Very high	72.7	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-60.5	-43.5	178.9	0	0	0	0	0	112.7	L25 S26 A31 F32 N33 G377 E381	L25-A29 HydrophobicContact CB-CB 3.43Å; L25-A29 VanDerWaalsContact CB-CB 3.43Å; L25-A29 HydrophobicContact CD1-CB 3.92Å; L25-A29 HydrophobicContact CG-CB 4.33Å; S26-A29 PolarHBondContact O-N 3.06Å; S26-A29 VanDerWaalsContact O-N 3.15Å; S26-A29 WeakPolarHBondContact OG-CB 3.36Å; S26-A29 PolarHBondContact OG-N 3.38Å; A29-A31 VanDerWaalsContact C-N 3.28Å; A29-A31 PolarHBondContact O-N 3.19Å; A29-F32 PolarHBondContact O-N 3.27Å; A29-N33 WeakPolarHBondContact O-CB 3.15Å; A29-N33 PolarHBondContact O-N 3.06Å; A29-G377 WeakPolarHBondContact CA-O 3.37Å; A29-G377 WeakPolarHBondContact CB-O 3.44Å; A29-G377 WeakPolarHBondContact O-CA 3.27Å; A29-E381 HydrophobicContact CB-CB 4.26Å
30	D	92.1	Very high	73.4	Confident	39 Å²	39	69.8 Å²	69.8	21%	0.209	37%	0.37	C	S	.	.	H	α-helix	trans	-61.6	-37.9	177.6	-84.5	2.5	0	0	0	111.5	L25 S26 L28 N33 Y34	L25-D30 PolarHBondContact N-OD1 3.01Å; S26-D30 WeakPolarHBondContact O-CB 3.08Å; S26-D30 PolarHBondContact O-N 2.97Å; L28-D30 PolarHBondContact O-N 2.9Å; D30-N33 PolarHBondContact O-N 3.19Å; D30-Y34 PolarHBondContact O-N 3.34Å
31	A	92.8	Very high	73.8	Confident	19 Å²	19	68.8 Å²	68.8	16%	0.157	36%	0.359	C	S	.	.	H	α-helix	trans	-63.1	-43.3	176.6	0	0	0	0	0	112	P27 L28 A29 H35 V397 I411	P27-A31 WeakPolarHBondContact O-CB 3.48Å; P27-A31 PolarHBondContact O-N 3.13Å; P27-A31 VanDerWaalsContact O-N 3.15Å; L28-A31 WeakPolarHBondContact O-CB 3.43Å; L28-A31 PolarHBondContact O-N 3.5Å; A29-A31 VanDerWaalsContact C-N 3.28Å; A29-A31 PolarHBondContact O-N 3.19Å; A31-H35 WeakPolarHBondContact O-CA 3.05Å; A31-H35 WeakPolarHBondContact O-CB 3.25Å; A31-H35 PolarHBondContact O-N 3.31Å; A31-V397 HydrophobicContact CB-CB 4.14Å; A31-V397 HydrophobicContact CB-CG1 3.83Å; A31-V397 HydrophobicContact CB-CG2 3.85Å; A31-I411 WeakPolarHBondContact O-CD1 3.3Å
32	F	94.6	Very high	73.9	Confident	9 Å²	9	69.5 Å²	69.5	4%	0.039	35%	0.353	C	S	.	.	H	α-helix	trans	-76.7	-26.6	179.2	-80.2	-82.7	0	0	0	114	L28 A29 L376 M380 V397 I411 V413 C431 L433	L28-F32 HydrophobicContact CG-CD2 4.38Å; L28-F32 HydrophobicContact CG-CE2 4.37Å; L28-F32 WeakPolarHBondContact O-CD2 3.5Å; L28-F32 PolarHBondContact O-N 3.25Å; A29-F32 PolarHBondContact O-N 3.27Å; F32-L376 HydrophobicContact CB-CD2 4.42Å; F32-L376 HydrophobicContact CB-CG 4.16Å; F32-L376 HydrophobicContact CD1-CD2 4.15Å; F32-L376 HydrophobicContact CD1-CG 4.28Å; F32-M380 HydrophobicContact CB-CG 4.18Å; F32-M380 HydrophobicContact CD1-CG 3.94Å; F32-M380 HydrophobicContact CD2-CB 4Å; F32-M380 HydrophobicContact CD2-CE 4.07Å; F32-M380 HydrophobicContact CD2-CG 3.78Å; F32-M380 HydrophobicContact CE1-CE 4.07Å; F32-M380 HydrophobicContact CE1-CG 4.29Å; F32-M380 HydrophobicContact CE1-SD 4.36Å; F32-M380 HydrophobicContact CE2-CB 4.49Å; F32-M380 HydrophobicContact CE2-CE 3.46Å; F32-M380 VanDerWaalsContact CE2-CE 3.46Å; F32-M380 HydrophobicContact CE2-CG 4.15Å; F32-M380 HydrophobicContact CE2-SD 4.48Å; F32-M380 HydrophobicContact CG-CB 4.27Å; F32-M380 HydrophobicContact CG-CG 3.69Å; F32-M380 HydrophobicContact CZ-CE 3.46Å; F32-M380 VanDerWaalsContact CZ-CE 3.46Å; F32-M380 HydrophobicContact CZ-CG 4.4Å; F32-M380 HydrophobicContact CZ-SD 4.33Å; F32-V397 HydrophobicContact CE2-CG2 4.11Å; F32-I411 HydrophobicContact CB-CD1 4.44Å; F32-I411 HydrophobicContact CD1-CD1 3.55Å; F32-I411 HydrophobicContact CD2-CD1 4.37Å; F32-I411 HydrophobicContact CE1-CB 3.99Å; F32-I411 HydrophobicContact CE1-CD1 3.73Å; F32-I411 HydrophobicContact CE1-CG1 4.38Å; F32-I411 HydrophobicContact CE1-CG2 4.23Å; F32-I411 HydrophobicContact CE2-CG2 3.97Å; F32-I411 HydrophobicContact CG-CD1 3.88Å; F32-I411 HydrophobicContact CZ-CB 3.95Å; F32-I411 HydrophobicContact CZ-CD1 4.21Å; F32-I411 HydrophobicContact CZ-CG2 3.73Å; F32-V413 HydrophobicContact CE2-CG2 4.04Å; F32-V413 HydrophobicContact CZ-CG2 3.91Å; F32-C431 HydrophobicContact CE1-CB 3.63Å; F32-C431 HydrophobicContact CZ-CB 3.79Å; F32-L433 HydrophobicContact CD1-CD1 3.88Å; F32-L433 HydrophobicContact CE1-CD1 3.55Å; F32-L433 HydrophobicContact CE1-CG 4.36Å
33	N	93	Very high	73.5	Confident	9 Å²	9	73 Å²	73	5%	0.048	37%	0.374	C	S	.	.	H	α-helix	trans	-80.6	-34	177.2	-85	-15.1	0	0	0	113.5	A29 D30 S375 G377 P483	A29-N33 WeakPolarHBondContact O-CB 3.15Å; A29-N33 PolarHBondContact O-N 3.06Å; D30-N33 PolarHBondContact O-N 3.19Å; N33-S375 PolarHBondContact ND2-OG 3.41Å; N33-S375 VanDerWaalsContact ND2-OG 3.09Å; N33-S375 VanDerWaalsContact OD1-CB 3.3Å; N33-S375 WeakPolarHBondContact OD1-CB 3.33Å; N33-S375 PolarHBondContact OD1-OG 2.81Å; N33-G377 WeakPolarHBondContact OD1-CA 3.32Å; N33-G377 PolarHBondContact OD1-N 2.92Å; N33-P483 HydrophobicContact CB-CB 3.75Å; N33-P483 VanDerWaalsContact OD1-CB 3.27Å; N33-P483 WeakPolarHBondContact OD1-CB 3.48Å
34	Y	87.3	Confident	73.6	Confident	53 Å²	53	76.4 Å²	76.4	21%	0.208	39%	0.388	C	S	.	.	H	α-helix	trans	-135.4	25.5	-167.7	-51.9	-66.2	0	0	0	113.5	D30 S36	D30-Y34 PolarHBondContact O-N 3.34Å; Y34-S36 PolarHBondContact O-N 2.8Å; Y34-S36 VanDerWaalsContact O-N 3.17Å
35	H	79.5	Confident	74.1	Confident	72 Å²	72	74.6 Å²	74.6	33%	0.333	39%	0.387	S	S	.	.			trans	-50.3	125	176.3	-160.9	-98.4	0	0	0	110.4	A31 L37 P408 I411	A31-H35 WeakPolarHBondContact O-CA 3.05Å; A31-H35 WeakPolarHBondContact O-CB 3.25Å; A31-H35 PolarHBondContact O-N 3.31Å; H35-L37 PolarHBondContact O-N 3.16Å; H35-P408 PolarHBondContact CE1-O 2.91Å; H35-P408 PolarHBondContact ND1-O 3.15Å; H35-I411 HydrophobicContact CB-CD1 3.98Å; H35-I411 HydrophobicContact CB-CG1 4.44Å
36	S	68.5	Low	73.9	Confident	76 Å²	76	77.5 Å²	77.5	53%	0.531	40%	0.397	S	S	.	.			trans	-69.3	115.5	176	-178.6	0	0	0	0	108.9	Y34 E38	Y34-S36 PolarHBondContact O-N 2.8Å; Y34-S36 VanDerWaalsContact O-N 3.17Å; S36-E38 PolarHBondContact O-N 3.27Å; S36-E38 PolarHBondContact OG-N 2.77Å
37	L	63.4	Low	73.7	Confident	90 Å²	90	80.7 Å²	80.7	47%	0.471	42%	0.416	S	S	.	.			trans	-74.3	-13.3	170.5	-65.4	174.2	0	0	0	112.3	H35 S39	H35-L37 PolarHBondContact O-N 3.16Å; L37-S39 VanDerWaalsContact C-N 3.3Å; L37-S39 PolarHBondContact O-N 3.47Å
38	E	56	Low	73.9	Confident	157 Å²	157	76.9 Å²	76.9	73%	0.734	39%	0.39	S	S	*	.			trans	-68.3	90.4	171.2	-64.9	-178.8	-177.6	0	0	108.8	S36 K40	S36-E38 PolarHBondContact O-N 3.27Å; S36-E38 PolarHBondContact OG-N 2.77Å; E38-K40 PolarHBondContact O-N 3.23Å
39	S	51.6	Low	73.9	Confident	43 Å²	43	76.4 Å²	76.4	30%	0.301	39%	0.388	S	S	.	.			trans	-66.9	114.8	166.3	88.1	0	0	0	0	107.2	L37 D41 E42	L37-S39 VanDerWaalsContact C-N 3.3Å; L37-S39 PolarHBondContact O-N 3.47Å; S39-D41 PolarHBondContact O-N 3Å; S39-E42 WeakPolarHBondContact OG-CG 3.49Å; S39-E42 PolarHBondContact OG-N 3.17Å
40	K	48.8	Very low	74.1	Confident	185 Å²	185	76.6 Å²	76.6	80%	0.804	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-6.7	162.4	-71.9	-177.4	176.5	178.3	0	111.4	E38	E38-K40 PolarHBondContact O-N 3.23Å
41	D	51.7	Low	74.3	Confident	50 Å²	50	75.4 Å²	75.4	27%	0.267	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-11	-167.8	-75.2	-9.3	0	0	0	114.9	S39 H43 L44	S39-D41 PolarHBondContact O-N 3Å; D41-H43 PolarHBondContact O-N 2.97Å; D41-L44 PolarHBondContact O-N 3.47Å; D41-L44 WeakPolarHBondContact OD1-CD1 3.34Å
42	E	50.6	Low	74.4	Confident	151 Å²	151	76.1 Å²	76.1	71%	0.706	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-23.4	176.3	-97.3	179.1	-154.9	0	0	113	S39	S39-E42 WeakPolarHBondContact OG-CG 3.49Å; S39-E42 PolarHBondContact OG-N 3.17Å
43	H	50.7	Low	74.4	Confident	183 Å²	183	77.7 Å²	77.7	85%	0.847	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-1.6	176.2	-62.7	-49	0	0	0	114.7	D41	D41-H43 PolarHBondContact O-N 2.97Å
44	L	59.2	Low	74.3	Confident	93 Å²	93	82 Å²	82	49%	0.487	43%	0.428	S	S	.	.	S	Bend	trans	-91	145.2	177.9	-77.1	163.6	0	0	0	110.4	D41 K46 P402	D41-L44 PolarHBondContact O-N 3.47Å; D41-L44 WeakPolarHBondContact OD1-CD1 3.34Å; L44-K46 PolarHBondContact O-N 3.18Å; L44-K46 VanDerWaalsContact O-N 3.14Å; L44-P402 HydrophobicContact CB-CB 4.22Å; L44-P402 HydrophobicContact CB-CG 4.37Å; L44-P402 HydrophobicContact CD1-CG 4.39Å
45	N	70.3	Confident	74.6	Confident	136 Å²	136	82.5 Å²	82.5	73%	0.727	44%	0.436	S	S	*	.			trans	-57.2	122.3	174.4	-75.9	-20.1	0	0	0	108.7	T47	N45-T47 HydrophobicContact CB-CG2 3.75Å; N45-T47 PolarHBondContact O-N 3.47Å
46	K	75.4	Confident	75.3	Confident	107 Å²	107	79 Å²	79	47%	0.465	42%	0.42	S	S	.	.			trans	-69.4	70.9	176	-66	-177.1	178.7	-176.4	0	110.5	L44 T57	L44-K46 PolarHBondContact O-N 3.18Å; L44-K46 VanDerWaalsContact O-N 3.14Å; K46-T57 WeakPolarHBondContact O-CB 3.34Å; K46-T57 WeakPolarHBondContact O-CG2 3.41Å
47	T	85.1	Confident	76.5	Confident	98 Å²	98	77.8 Å²	77.8	60%	0.601	41%	0.409	S	S	*	.			trans	-86	-21.7	-170.6	51.3	0	0	0	0	113.9	N45 P402	N45-T47 HydrophobicContact CB-CG2 3.75Å; N45-T47 PolarHBondContact O-N 3.47Å; T47-P402 PolarHBondContact N-O 3.4Å
48	T	93.1	Very high	78	Confident	35 Å²	35	75.2 Å²	75.2	22%	0.215	40%	0.399	C	S	.	.	S	Bend	trans	-82.9	-36.6	-173.4	-61.5	0	0	0	0	112.8	H53 Q401 P402 E404	T48-H53 CarbonylContact O-C 3.57Å; T48-Q401 HydrophobicContact CG2-CB 3.91Å; T48-Q401 WeakPolarHBondContact OG1-CB 3.49Å; T48-P402 WeakPolarHBondContact CB-O 3.42Å; T48-P402 PolarHBondContact N-O 3.17Å; T48-E404 HydrophobicContact CG2-CB 4.15Å; T48-E404 HydrophobicContact CG2-CG 4.49Å
49	G	95.1	Very high	79.9	Confident	0 Å²	0	68.8 Å²	68.8	0%	0	37%	0.371	C	S	.	.			trans	77.7	157.2	-176.8	0	0	0	0	0	114	F51 G52 H53 L56 G403 E404	G49-F51 PolarHBondContact O-N 3.14Å; G49-G52 WeakPolarHBondContact O-CA 3.27Å; G49-G52 PolarHBondContact O-N 2.78Å; G49-H53 WeakPolarHBondContact CA-O 3.35Å; G49-L56 CarbonylContact C-O 3.34Å; G49-L56 WeakPolarHBondContact CA-O 3.3Å; G49-G403 CarbonylContact C-O 3.3Å; G49-E404 WeakPolarHBondContact O-CA 3.41Å
50	L	96.7	Very high	82	Confident	4 Å²	4	73.9 Å²	73.9	2%	0.021	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-54.5	134.5	-172.5	-68	169.4	0	0	0	111.9	G52 H53 L56 F62 I110 Y119 G403 E404 W406	L50-G52 PolarHBondContact O-N 2.96Å; L50-G52 VanDerWaalsContact O-N 3.15Å; L50-H53 WeakPolarHBondContact O-CB 3.3Å; L50-H53 PolarHBondContact O-N 3.31Å; L50-L56 HydrophobicContact CB-CB 4.1Å; L50-L56 HydrophobicContact CB-CD1 4.4Å; L50-L56 PolarHBondContact N-O 2.87Å; L50-F62 HydrophobicContact CD1-CE2 4.06Å; L50-F62 HydrophobicContact CD1-CZ 3.99Å; L50-I110 HydrophobicContact CD1-CD1 3.82Å; L50-I110 HydrophobicContact CD1-CG1 4Å; L50-I110 HydrophobicContact CD1-CG2 4.2Å; L50-I110 HydrophobicContact CD2-CD1 4.07Å; L50-I110 HydrophobicContact CG-CD1 4.4Å; L50-Y119 HydrophobicContact CD1-CD1 3.73Å; L50-Y119 HydrophobicContact CD1-CE1 3.71Å; L50-Y119 HydrophobicContact CG-CE1 4.37Å; L50-G403 PolarHBondContact N-O 2.98Å; L50-E404 CarbonylContact C-O 3.3Å; L50-E404 WeakPolarHBondContact CA-O 3.22Å; L50-W406 HydrophobicContact CD2-CB 4.28Å
51	F	96.7	Very high	84.2	Confident	13 Å²	13	65.8 Å²	65.8	6%	0.057	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	58.9	15.7	-175.5	-53.6	-79.7	0	0	0	115.3	G49 H53 L106 C109 I110 E404 W406 Y430 I448 T469	G49-F51 PolarHBondContact O-N 3.14Å; F51-H53 VanDerWaalsContact C-N 3.32Å; F51-L106 HydrophobicContact CD2-CB 4.25Å; F51-L106 HydrophobicContact CE2-CB 4.04Å; F51-C109 HydrophobicContact CZ-CB 4.45Å; F51-I110 HydrophobicContact CE2-CD1 3.7Å; F51-I110 HydrophobicContact CE2-CG1 3.75Å; F51-I110 HydrophobicContact CZ-CD1 4Å; F51-I110 HydrophobicContact CZ-CG1 4.32Å; F51-E404 PolarHBondContact N-O 2.8Å; F51-W406 HydrophobicContact CD1-CZ3 4.08Å; F51-W406 HydrophobicContact CE1-CE3 4.2Å; F51-W406 AromaticContact CE1-CH2 3.83Å; F51-W406 HydrophobicContact CE1-CH2 3.83Å; F51-W406 AromaticContact CE1-CZ3 3.26Å; F51-W406 HydrophobicContact CE1-CZ3 3.26Å; F51-W406 HydrophobicContact CE2-CZ3 4.49Å; F51-W406 HydrophobicContact CZ-CE3 4.07Å; F51-W406 HydrophobicContact CZ-CH2 4.16Å; F51-W406 AromaticContact CZ-CZ3 3.51Å; F51-W406 HydrophobicContact CZ-CZ3 3.51Å; F51-Y430 VanDerWaalsContact C-OH 3.32Å; F51-Y430 WeakPolarHBondContact CA-OH 3.43Å; F51-Y430 HydrophobicContact CB-CE2 4.36Å; F51-Y430 AromaticContact CD1-CD2 3.73Å; F51-Y430 HydrophobicContact CD1-CD2 3.73Å; F51-Y430 AromaticContact CD1-CE2 3.64Å; F51-Y430 HydrophobicContact CD1-CE2 3.64Å; F51-Y430 HydrophobicContact CD1-CG 4.33Å; F51-Y430 HydrophobicContact CE1-CD2 4.17Å; F51-Y430 PolarHBondContact O-OH 3.22Å; F51-I448 HydrophobicContact CB-CG2 4.21Å; F51-I448 HydrophobicContact CD1-CD1 4.48Å; F51-I448 HydrophobicContact CD1-CG1 4.01Å; F51-I448 HydrophobicContact CD1-CG2 3.88Å; F51-I448 HydrophobicContact CD2-CG2 3.99Å; F51-I448 HydrophobicContact CE1-CD1 3.73Å; F51-I448 HydrophobicContact CE1-CG1 3.65Å; F51-I448 HydrophobicContact CE1-CG2 4.19Å; F51-I448 HydrophobicContact CE2-CD1 4.27Å; F51-I448 HydrophobicContact CE2-CG2 4.29Å; F51-I448 HydrophobicContact CG-CG2 3.77Å; F51-I448 HydrophobicContact CZ-CD1 3.61Å; F51-I448 HydrophobicContact CZ-CG1 4.05Å; F51-I448 HydrophobicContact CZ-CG2 4.4Å; F51-T469 WeakPolarHBondContact CE1-OG1 3.48Å
52	G	94.9	Very high	86.4	Confident	35 Å²	35	63.5 Å²	63.5	36%	0.361	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	83.7	9.7	-172.4	0	0	0	0	0	113.4	G49 L50 P54	G49-G52 WeakPolarHBondContact O-CA 3.27Å; G49-G52 PolarHBondContact O-N 2.78Å; L50-G52 PolarHBondContact O-N 2.96Å; L50-G52 VanDerWaalsContact O-N 3.15Å; G52-P54 WeakPolarHBondContact O-CD 3.37Å
53	H	94.4	Very high	88.6	Confident	41 Å²	41	62.1 Å²	62.1	19%	0.19	34%	0.337	C	S	.	.			trans	-81.4	111.5	-179.9	-165.9	-75.1	0	0	0	110.4	T48 G49 L50 F51 V55 L56	T48-H53 CarbonylContact O-C 3.57Å; G49-H53 WeakPolarHBondContact CA-O 3.35Å; L50-H53 WeakPolarHBondContact O-CB 3.3Å; L50-H53 PolarHBondContact O-N 3.31Å; F51-H53 VanDerWaalsContact C-N 3.32Å; H53-V55 PolarHBondContact ND1-N 2.69Å; H53-V55 PolarHBondContact O-N 2.72Å; H53-L56 HydrophobicContact CB-CB 4.28Å; H53-L56 HydrophobicContact CB-CD1 3.98Å; H53-L56 HydrophobicContact CB-CG 4.19Å; H53-L56 PolarHBondContact O-N 3.4Å
54	P	91.7	Very high	90.7	Very high	101 Å²	101	56.5 Å²	56.5	66%	0.656	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.6	-167.1	25.5	-35.6	0	0	0	114.3	G52	G52-P54 WeakPolarHBondContact O-CD 3.37Å
55	V	92.3	Very high	92.5	Very high	62 Å²	62	52.8 Å²	52.8	38%	0.376	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-36	175.4	179.3	0	0	0	0	111.6	H53 T57 S61	H53-V55 PolarHBondContact ND1-N 2.69Å; H53-V55 PolarHBondContact O-N 2.72Å; V55-T57 PolarHBondContact O-N 2.95Å; V55-S61 WeakPolarHBondContact O-CB 3.33Å; V55-S61 PolarHBondContact O-OG 3.05Å
56	L	94.6	Very high	93.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.267	C	S	.	.			trans	-82.2	49.3	-167.5	-67.6	178.9	0	0	0	113.3	G49 L50 H53 F62 L65 L106	G49-L56 CarbonylContact C-O 3.34Å; G49-L56 WeakPolarHBondContact CA-O 3.3Å; L50-L56 HydrophobicContact CB-CB 4.1Å; L50-L56 HydrophobicContact CB-CD1 4.4Å; L50-L56 PolarHBondContact N-O 2.87Å; H53-L56 HydrophobicContact CB-CB 4.28Å; H53-L56 HydrophobicContact CB-CD1 3.98Å; H53-L56 HydrophobicContact CB-CG 4.19Å; H53-L56 PolarHBondContact O-N 3.4Å; L56-F62 HydrophobicContact CD2-CD1 4.17Å; L56-F62 HydrophobicContact CD2-CD2 4Å; L56-F62 HydrophobicContact CD2-CE1 4.21Å; L56-F62 HydrophobicContact CD2-CE2 4.02Å; L56-F62 HydrophobicContact CD2-CG 4.06Å; L56-F62 HydrophobicContact CD2-CZ 4.12Å; L56-L65 HydrophobicContact CD1-CD2 3.98Å; L56-L65 HydrophobicContact CD2-CB 4.42Å; L56-L65 HydrophobicContact CD2-CD2 3.76Å; L56-L65 HydrophobicContact CG-CD2 4.05Å; L56-L106 HydrophobicContact CD1-CD1 3.58Å; L56-L106 HydrophobicContact CD1-CD2 3.8Å; L56-L106 HydrophobicContact CD1-CG 4.43Å
57	T	94.1	Very high	94.8	Very high	50 Å²	50	46.8 Å²	46.8	31%	0.307	27%	0.269	S	S	.	.	S	Bend	trans	-86.6	-12.4	179.8	56.2	0	0	0	0	113.8	K46 V55 Y119	K46-T57 WeakPolarHBondContact O-CB 3.34Å; K46-T57 WeakPolarHBondContact O-CG2 3.41Å; V55-T57 PolarHBondContact O-N 2.95Å; T57-Y119 PolarHBondContact O-OH 2.9Å
58	S	95.2	Very high	95.4	Very high	36 Å²	36	45.6 Å²	45.6	25%	0.252	27%	0.265	S	S	.	.	S	Bend	trans	-147.7	162.9	-179	80.4	0	0	0	0	111.8	H60 S61 Y119	S58-H60 PolarHBondContact O-N 3.02Å; S58-H60 PolarHBondContact OG-N 3.12Å; S58-S61 PolarHBondContact N-OG 3.21Å; S58-S61 VanDerWaalsContact O-CB 3.26Å; S58-S61 WeakPolarHBondContact O-CB 3.39Å; S58-S61 PolarHBondContact O-N 3.17Å; S58-S61 VanDerWaalsContact O-N 3.16Å; S58-S61 PolarHBondContact O-OG 2.85Å; S58-S61 PolarHBondContact OG-N 3.27Å; S58-S61 PolarHBondContact OG-OG 2.83Å; S58-Y119 WeakPolarHBondContact CA-OH 3.15Å
59	P	96.5	Very high	95.6	Very high	22 Å²	22	44.2 Å²	44.2	14%	0.143	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.3	173.3	-25.3	34.2	0	0	0	113.8	S61 A118 Y119 S122	P59-S61 VanDerWaalsContact C-N 3.26Å; P59-S61 PolarHBondContact O-N 3.25Å; P59-A118 HydrophobicContact CB-CB 4.18Å; P59-A118 HydrophobicContact CG-CB 3.89Å; P59-Y119 HydrophobicContact CG-CD1 4.32Å; P59-Y119 HydrophobicContact CG-CD2 3.66Å; P59-Y119 HydrophobicContact CG-CE1 4.3Å; P59-Y119 HydrophobicContact CG-CE2 3.64Å; P59-Y119 HydrophobicContact CG-CG 4.02Å; P59-S122 WeakPolarHBondContact O-CB 3.37Å; P59-S122 PolarHBondContact O-OG 3.34Å
60	H	95.1	Very high	95.7	Very high	149 Å²	149	46.9 Å²	46.9	69%	0.69	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-25.2	-178.8	-65.3	86	0	0	0	112.2	S58 F62 Q63	S58-H60 PolarHBondContact O-N 3.02Å; S58-H60 PolarHBondContact OG-N 3.12Å; H60-F62 PolarHBondContact O-N 3.09Å; H60-F62 VanDerWaalsContact O-N 3.16Å; H60-Q63 WeakPolarHBondContact O-CB 3.17Å; H60-Q63 PolarHBondContact O-N 2.88Å; H60-Q63 VanDerWaalsContact O-N 3.09Å
61	S	95	Very high	95.8	Very high	15 Å²	15	48.4 Å²	48.4	11%	0.105	29%	0.286	C	S	.	.	H	α-helix	trans	-63	-22	-178.7	-58	0	0	0	0	114.1	V55 S58 P59 Q63 S64 L65	V55-S61 WeakPolarHBondContact O-CB 3.33Å; V55-S61 PolarHBondContact O-OG 3.05Å; S58-S61 PolarHBondContact N-OG 3.21Å; S58-S61 VanDerWaalsContact O-CB 3.26Å; S58-S61 WeakPolarHBondContact O-CB 3.39Å; S58-S61 PolarHBondContact O-N 3.17Å; S58-S61 VanDerWaalsContact O-N 3.16Å; S58-S61 PolarHBondContact O-OG 2.85Å; S58-S61 PolarHBondContact OG-N 3.27Å; S58-S61 PolarHBondContact OG-OG 2.83Å; P59-S61 VanDerWaalsContact C-N 3.26Å; P59-S61 PolarHBondContact O-N 3.25Å; S61-Q63 VanDerWaalsContact C-N 3.26Å; S61-Q63 PolarHBondContact O-N 2.8Å; S61-S64 PolarHBondContact O-N 3.42Å; S61-L65 PolarHBondContact O-N 3.29Å
62	F	97.5	Very high	95.8	Very high	3 Å²	3	52.2 Å²	52.2	1%	0.013	31%	0.305	C	S	.	.	H	α-helix	trans	-59.6	-38.1	173.8	-82.5	-91.6	0	0	0	111.8	L50 L56 H60 L65 V66 L106 I110 Y119 A123 A126	L50-F62 HydrophobicContact CD1-CE2 4.06Å; L50-F62 HydrophobicContact CD1-CZ 3.99Å; L56-F62 HydrophobicContact CD2-CD1 4.17Å; L56-F62 HydrophobicContact CD2-CD2 4Å; L56-F62 HydrophobicContact CD2-CE1 4.21Å; L56-F62 HydrophobicContact CD2-CE2 4.02Å; L56-F62 HydrophobicContact CD2-CG 4.06Å; L56-F62 HydrophobicContact CD2-CZ 4.12Å; H60-F62 PolarHBondContact O-N 3.09Å; H60-F62 VanDerWaalsContact O-N 3.16Å; F62-L65 PolarHBondContact O-N 3.37Å; F62-V66 VanDerWaalsContact O-CG2 3.29Å; F62-V66 WeakPolarHBondContact O-CG2 3.32Å; F62-V66 PolarHBondContact O-N 3.3Å; F62-L106 HydrophobicContact CE1-CD1 3.71Å; F62-L106 HydrophobicContact CZ-CD1 4.27Å; F62-I110 HydrophobicContact CZ-CB 4.32Å; F62-I110 HydrophobicContact CZ-CG1 4.43Å; F62-I110 HydrophobicContact CZ-CG2 3.92Å; F62-Y119 AromaticContact CE2-CD1 3.97Å; F62-Y119 HydrophobicContact CE2-CD1 3.97Å; F62-Y119 HydrophobicContact CE2-CE1 4.41Å; F62-A123 HydrophobicContact CD1-CB 4.33Å; F62-A123 HydrophobicContact CE1-CB 3.88Å; F62-A123 HydrophobicContact CZ-CB 4.13Å; F62-A126 HydrophobicContact CB-CB 4.33Å; F62-A126 HydrophobicContact CD1-CB 3.92Å
63	Q	96.3	Very high	96	Very high	122 Å²	122	50.6 Å²	50.6	57%	0.57	29%	0.287	S	S	*	.	H	α-helix	trans	-63.9	-47.4	178	-177.4	-178.7	-13.6	0	0	111.1	H60 S61 L65 V66 E67	H60-Q63 WeakPolarHBondContact O-CB 3.17Å; H60-Q63 PolarHBondContact O-N 2.88Å; H60-Q63 VanDerWaalsContact O-N 3.09Å; S61-Q63 VanDerWaalsContact C-N 3.26Å; S61-Q63 PolarHBondContact O-N 2.8Å; Q63-L65 VanDerWaalsContact C-N 3.28Å; Q63-L65 PolarHBondContact O-N 3.27Å; Q63-V66 WeakPolarHBondContact O-CB 3.17Å; Q63-V66 PolarHBondContact O-N 3.06Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.38Å; Q63-E67 PolarHBondContact NE2-OE1 3.18Å; Q63-E67 WeakPolarHBondContact O-CG 3.45Å; Q63-E67 PolarHBondContact O-N 3.46Å
64	S	95.4	Very high	96.1	Very high	65 Å²	65	52.5 Å²	52.5	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-63.3	-35.2	177.7	-54.7	0	0	0	0	112.5	S61 S68	S61-S64 PolarHBondContact O-N 3.42Å; S64-S68 WeakPolarHBondContact O-CB 3.48Å; S64-S68 PolarHBondContact O-N 2.88Å
65	L	96.3	Very high	96.4	Very high	15 Å²	15	52.4 Å²	52.4	8%	0.079	29%	0.293	C	S	.	.	H	α-helix	trans	-63.3	-46.1	173.8	-178.9	59.3	0	0	0	111.2	L56 S61 F62 Q63 S68 T69 V103	L56-L65 HydrophobicContact CD1-CD2 3.98Å; L56-L65 HydrophobicContact CD2-CB 4.42Å; L56-L65 HydrophobicContact CD2-CD2 3.76Å; L56-L65 HydrophobicContact CG-CD2 4.05Å; S61-L65 PolarHBondContact O-N 3.29Å; F62-L65 PolarHBondContact O-N 3.37Å; Q63-L65 VanDerWaalsContact C-N 3.28Å; Q63-L65 PolarHBondContact O-N 3.27Å; L65-S68 PolarHBondContact O-N 3.39Å; L65-T69 WeakPolarHBondContact O-CB 3.43Å; L65-T69 PolarHBondContact O-N 2.96Å; L65-T69 PolarHBondContact O-OG1 3.23Å; L65-V103 HydrophobicContact CD1-CG2 4.09Å; L65-V103 HydrophobicContact CD2-CG1 4.14Å; L65-V103 HydrophobicContact CD2-CG2 3.96Å; L65-V103 HydrophobicContact CG-CG1 4.21Å; L65-V103 HydrophobicContact CG-CG2 3.69Å
66	V	97.6	Very high	96.7	Very high	9 Å²	9	50 Å²	50	6%	0.055	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-46.7	176	168.8	0	0	0	0	111.6	F62 Q63 S68 T69 I70 V103 A126 I130	F62-V66 VanDerWaalsContact O-CG2 3.29Å; F62-V66 WeakPolarHBondContact O-CG2 3.32Å; F62-V66 PolarHBondContact O-N 3.3Å; Q63-V66 WeakPolarHBondContact O-CB 3.17Å; Q63-V66 PolarHBondContact O-N 3.06Å; V66-S68 VanDerWaalsContact C-N 3.33Å; V66-S68 PolarHBondContact O-N 3.19Å; V66-T69 PolarHBondContact O-N 3.15Å; V66-I70 HydrophobicContact CG1-CD1 3.8Å; V66-I70 HydrophobicContact CG1-CG1 4.44Å; V66-I70 WeakPolarHBondContact O-CG1 3.38Å; V66-I70 PolarHBondContact O-N 3.19Å; V66-V103 HydrophobicContact CG2-CG1 4.12Å; V66-A126 HydrophobicContact CG2-CB 3.67Å; V66-I130 HydrophobicContact CG1-CD1 4.42Å; V66-I130 HydrophobicContact CG2-CD1 4.36Å; V66-I130 HydrophobicContact CG2-CG1 4.33Å
67	E	97.2	Very high	96.8	Very high	107 Å²	107	50.5 Å²	50.5	50%	0.5	28%	0.282	S	S	.	.	H	α-helix	trans	-60.2	-42.5	178.5	-72.4	168.7	-173.8	0	0	111.8	Q63 I70 G71	Q63-E67 WeakPolarHBondContact CG-OE1 3.38Å; Q63-E67 PolarHBondContact NE2-OE1 3.18Å; Q63-E67 WeakPolarHBondContact O-CG 3.45Å; Q63-E67 PolarHBondContact O-N 3.46Å; E67-I70 PolarHBondContact O-N 3.15Å; E67-G71 PolarHBondContact O-N 3.45Å; E67-G71 VanDerWaalsContact O-N 3.15Å
68	S	96.9	Very high	97	Very high	74 Å²	74	53.7 Å²	53.7	52%	0.517	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-44.8	174.7	-172.3	0	0	0	0	111.8	S64 L65 V66 G71 E72	S64-S68 WeakPolarHBondContact O-CB 3.48Å; S64-S68 PolarHBondContact O-N 2.88Å; L65-S68 PolarHBondContact O-N 3.39Å; V66-S68 VanDerWaalsContact C-N 3.33Å; V66-S68 PolarHBondContact O-N 3.19Å; S68-G71 PolarHBondContact O-N 3.28Å; S68-E72 PolarHBondContact O-N 3.01Å
69	T	97.7	Very high	97.1	Very high	6 Å²	6	54.3 Å²	54.3	4%	0.037	30%	0.296	C	S	.	.	H	α-helix	trans	-62.4	-43.3	178.6	-71.2	0	0	0	0	112	L65 V66 G71 E72 C73 T99 V103 I130 L133	L65-T69 WeakPolarHBondContact O-CB 3.43Å; L65-T69 PolarHBondContact O-N 2.96Å; L65-T69 PolarHBondContact O-OG1 3.23Å; V66-T69 PolarHBondContact O-N 3.15Å; T69-G71 VanDerWaalsContact C-N 3.33Å; T69-G71 PolarHBondContact O-N 3.14Å; T69-E72 PolarHBondContact O-N 3.45Å; T69-C73 WeakPolarHBondContact O-CB 3.44Å; T69-C73 PolarHBondContact O-N 3.48Å; T69-C73 PolarHBondContact O-SG 2.99Å; T69-C73 VanDerWaalsContact O-SG 3.33Å; T69-T99 HydrophobicContact CG2-CG2 4.05Å; T69-T99 WeakPolarHBondContact CG2-O 3.36Å; T69-V103 HydrophobicContact CG2-CG2 4.15Å; T69-V103 WeakPolarHBondContact OG1-CG2 3.3Å; T69-I130 HydrophobicContact CG2-CD1 3.63Å; T69-L133 HydrophobicContact CG2-CD2 4.48Å
70	I	97.7	Very high	97.2	Very high	55 Å²	55	53.3 Å²	53.3	28%	0.282	29%	0.289	S	S	.	.	H	α-helix	trans	-57.7	-47.3	174.5	-70	162.6	0	0	0	110.5	V66 E67 E72 C73 H74 L133	V66-I70 HydrophobicContact CG1-CD1 3.8Å; V66-I70 HydrophobicContact CG1-CG1 4.44Å; V66-I70 WeakPolarHBondContact O-CG1 3.38Å; V66-I70 PolarHBondContact O-N 3.19Å; E67-I70 PolarHBondContact O-N 3.15Å; I70-E72 PolarHBondContact O-N 3.4Å; I70-C73 PolarHBondContact O-N 3.13Å; I70-H74 WeakPolarHBondContact CG2-CE1 3.48Å; I70-H74 PolarHBondContact O-N 3.13Å; I70-H74 VanDerWaalsContact O-N 3.08Å; I70-H74 PolarHBondContact O-ND1 3.18Å; I70-L133 HydrophobicContact CG1-CD2 3.89Å
71	G	97.8	Very high	97.2	Very high	36 Å²	36	48 Å²	48	37%	0.371	27%	0.267	S	S	.	.	H	α-helix	trans	-60.1	-44.5	179	0	0	0	0	0	113.2	E67 S68 T69 H74 V75	E67-G71 PolarHBondContact O-N 3.45Å; E67-G71 VanDerWaalsContact O-N 3.15Å; S68-G71 PolarHBondContact O-N 3.28Å; T69-G71 VanDerWaalsContact C-N 3.33Å; T69-G71 PolarHBondContact O-N 3.14Å; G71-H74 PolarHBondContact O-N 2.75Å; G71-V75 PolarHBondContact O-N 3.33Å
72	E	98.2	Very high	97.3	Very high	94 Å²	94	49 Å²	49	44%	0.439	28%	0.275	S	S	.	.	H	α-helix	trans	-67.1	-41.5	178.4	-172.3	176.8	156.9	0	0	112.2	S68 T69 I70 H74 V75 L76 T99	S68-E72 PolarHBondContact O-N 3.01Å; T69-E72 PolarHBondContact O-N 3.45Å; I70-E72 PolarHBondContact O-N 3.4Å; E72-H74 VanDerWaalsContact C-N 3.35Å; E72-H74 PolarHBondContact O-N 3.21Å; E72-V75 PolarHBondContact O-N 2.77Å; E72-L76 HydrophobicContact CG-CD1 4.26Å; E72-L76 WeakPolarHBondContact O-CG 3.33Å; E72-L76 PolarHBondContact O-N 3.18Å; E72-T99 HydrophobicContact CB-CG2 3.95Å; E72-T99 HydrophobicContact CG-CG2 3.89Å; E72-T99 PolarHBondContact OE1-OG1 3.06Å
73	C	98.2	Very high	97.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.4	-43.2	174.9	-74	0	0	0	0	112.1	T69 I70 V75 L76 C77 L96 L133 L137	T69-C73 WeakPolarHBondContact O-CB 3.44Å; T69-C73 PolarHBondContact O-N 3.48Å; T69-C73 PolarHBondContact O-SG 2.99Å; T69-C73 VanDerWaalsContact O-SG 3.33Å; I70-C73 PolarHBondContact O-N 3.13Å; C73-V75 VanDerWaalsContact C-N 3.34Å; C73-V75 PolarHBondContact O-N 2.99Å; C73-L76 PolarHBondContact O-N 3.04Å; C73-C77 PolarHBondContact O-N 2.87Å; C73-C77 PolarHBondContact O-SG 3.24Å; C73-L96 HydrophobicContact CB-CD2 3.96Å; C73-L96 WeakPolarHBondContact O-CD2 3.29Å; C73-L133 HydrophobicContact CB-CD2 4.13Å; C73-L137 HydrophobicContact CB-CD1 4.38Å
74	H	96.9	Very high	97.1	Very high	82 Å²	82	54.6 Å²	54.6	38%	0.38	31%	0.309	S	S	.	.	H	α-helix	trans	-59.9	-42.9	176.4	-69	146.1	0	0	0	112.6	I70 G71 E72 L76 C77 D78	I70-H74 WeakPolarHBondContact CG2-CE1 3.48Å; I70-H74 PolarHBondContact O-N 3.13Å; I70-H74 VanDerWaalsContact O-N 3.08Å; I70-H74 PolarHBondContact O-ND1 3.18Å; G71-H74 PolarHBondContact O-N 2.75Å; E72-H74 VanDerWaalsContact C-N 3.35Å; E72-H74 PolarHBondContact O-N 3.21Å; H74-L76 PolarHBondContact O-N 3.47Å; H74-C77 PolarHBondContact O-N 3.38Å; H74-D78 PolarHBondContact O-N 3.23Å
75	V	98.1	Very high	97.1	Very high	98 Å²	98	52.2 Å²	52.2	59%	0.594	29%	0.291	S	S	*	.	H	α-helix	trans	-61.8	-43.9	177	173	0	0	0	0	111.3	G71 E72 C73 D78 E79	G71-V75 PolarHBondContact O-N 3.33Å; E72-V75 PolarHBondContact O-N 2.77Å; C73-V75 VanDerWaalsContact C-N 3.34Å; C73-V75 PolarHBondContact O-N 2.99Å; V75-D78 PolarHBondContact O-N 2.96Å; V75-E79 PolarHBondContact O-N 3.23Å
76	L	98.1	Very high	97	Very high	13 Å²	13	57.5 Å²	57.5	7%	0.068	32%	0.323	C	S	.	.	H	α-helix	trans	-66.8	-35.7	177.6	-70	167.9	0	0	0	112.2	E72 C73 H74 E79 A80 I92 D95 L96	E72-L76 HydrophobicContact CG-CD1 4.26Å; E72-L76 WeakPolarHBondContact O-CG 3.33Å; E72-L76 PolarHBondContact O-N 3.18Å; C73-L76 PolarHBondContact O-N 3.04Å; H74-L76 PolarHBondContact O-N 3.47Å; L76-E79 PolarHBondContact O-N 3.01Å; L76-A80 WeakPolarHBondContact O-CB 3.44Å; L76-A80 PolarHBondContact O-N 3.15Å; L76-I92 HydrophobicContact CB-CG2 4.19Å; L76-I92 HydrophobicContact CD2-CG2 4.15Å; L76-I92 VanDerWaalsContact O-CG2 3.29Å; L76-I92 WeakPolarHBondContact O-CG2 3.3Å; L76-D95 HydrophobicContact CD1-CB 3.85Å; L76-D95 HydrophobicContact CD2-CB 3.83Å; L76-L96 HydrophobicContact CB-CD1 4.43Å; L76-L96 HydrophobicContact CB-CD2 3.56Å; L76-L96 HydrophobicContact CB-CG 3.72Å; L76-L96 HydrophobicContact CD1-CD2 4.03Å; L76-L96 HydrophobicContact CD1-CG 4.14Å; L76-L96 HydrophobicContact CG-CD2 4.46Å
77	C	97.5	Very high	96.9	Very high	9 Å²	9	60.3 Å²	60.3	6%	0.061	33%	0.333	C	S	.	.	H	α-helix	trans	-64.5	-42.6	173.2	-70.7	0	0	0	0	112.6	C73 H74 E79 A80 T81 L137	C73-C77 PolarHBondContact O-N 2.87Å; C73-C77 PolarHBondContact O-SG 3.24Å; H74-C77 PolarHBondContact O-N 3.38Å; C77-E79 VanDerWaalsContact C-N 3.3Å; C77-E79 PolarHBondContact O-N 2.86Å; C77-A80 PolarHBondContact O-N 3.32Å; C77-T81 WeakPolarHBondContact O-CB 3.18Å; C77-T81 WeakPolarHBondContact O-CG2 3.18Å; C77-T81 PolarHBondContact O-N 2.96Å; C77-T81 PolarHBondContact O-OG1 3.18Å; C77-L137 WeakPolarHBondContact SG-CD2 3.37Å
78	D	97.9	Very high	96.8	Very high	117 Å²	117	57 Å²	57	63%	0.626	32%	0.317	S	S	*	.	H	α-helix	trans	-62.1	-40.5	174.9	-73.8	-19.1	0	0	0	110.8	H74 V75 T81 S82	H74-D78 PolarHBondContact O-N 3.23Å; V75-D78 PolarHBondContact O-N 2.96Å; D78-T81 PolarHBondContact O-OG1 2.8Å; D78-S82 WeakPolarHBondContact O-CB 3.4Å; D78-S82 PolarHBondContact O-N 3.06Å; D78-S82 VanDerWaalsContact O-N 3.1Å
79	E	97.7	Very high	96.8	Very high	50 Å²	50	53.5 Å²	53.5	23%	0.234	29%	0.292	C	S	.	.	H	α-helix	trans	-63.3	-50.4	173.6	-167.7	-167.1	163.6	0	0	111.8	V75 L76 C77 T81 S82 R85 R87 I92	V75-E79 PolarHBondContact O-N 3.23Å; L76-E79 PolarHBondContact O-N 3.01Å; C77-E79 VanDerWaalsContact C-N 3.3Å; C77-E79 PolarHBondContact O-N 2.86Å; E79-T81 PolarHBondContact O-N 3.46Å; E79-S82 WeakPolarHBondContact O-CB 3.49Å; E79-S82 PolarHBondContact O-N 2.87Å; E79-S82 VanDerWaalsContact O-N 3.16Å; E79-R85 HydrophobicContact CG-CB 4.45Å; E79-R85 WeakPolarHBondContact O-CB 3.28Å; E79-R87 IonicContact OE1-CZ 3.68Å; E79-R87 IonicContact OE1-NE 3.24Å; E79-R87 PolarHBondContact OE1-NE 3.1Å; E79-R87 IonicContact OE1-NH2 3.65Å; E79-R87 IonicContact OE2-CZ 3.61Å; E79-R87 IonicContact OE2-NE 3.96Å; E79-R87 IonicContact OE2-NH2 3.79Å; E79-R87 PolarHBondContact OE2-NH2 2.89Å; E79-I92 HydrophobicContact CB-CD1 4.42Å; E79-I92 HydrophobicContact CB-CG2 4.49Å; E79-I92 HydrophobicContact CG-CD1 3.82Å
80	A	97.3	Very high	96.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-59.3	-36.9	-176.7	0	0	0	0	0	112.6	L76 C77 I92 L143	L76-A80 WeakPolarHBondContact O-CB 3.44Å; L76-A80 PolarHBondContact O-N 3.15Å; C77-A80 PolarHBondContact O-N 3.32Å; A80-I92 HydrophobicContact CB-CB 4.33Å; A80-I92 HydrophobicContact CB-CD1 4.41Å; A80-I92 HydrophobicContact CB-CG2 3.79Å; A80-L143 HydrophobicContact CB-CD1 3.41Å; A80-L143 VanDerWaalsContact CB-CD1 3.41Å
81	T	96.4	Very high	96.8	Very high	37 Å²	37	52.5 Å²	52.5	23%	0.227	29%	0.286	C	S	.	.	H	α-helix	trans	-88.7	-11	-178	61.8	0	0	0	0	113.6	C77 D78 E79 K142	C77-T81 WeakPolarHBondContact O-CB 3.18Å; C77-T81 WeakPolarHBondContact O-CG2 3.18Å; C77-T81 PolarHBondContact O-N 2.96Å; C77-T81 PolarHBondContact O-OG1 3.18Å; D78-T81 PolarHBondContact O-OG1 2.8Å; E79-T81 PolarHBondContact O-N 3.46Å; T81-K142 HydrophobicContact CG2-CB 3.71Å
82	S	96.6	Very high	96.8	Very high	37 Å²	37	50.8 Å²	50.8	26%	0.259	27%	0.268	S	S	.	.			trans	-65.9	135.6	176.8	179	0	0	0	0	112.4	D78 E79 T84 R85	D78-S82 WeakPolarHBondContact O-CB 3.4Å; D78-S82 PolarHBondContact O-N 3.06Å; D78-S82 VanDerWaalsContact O-N 3.1Å; E79-S82 WeakPolarHBondContact O-CB 3.49Å; E79-S82 PolarHBondContact O-N 2.87Å; E79-S82 VanDerWaalsContact O-N 3.16Å; S82-T84 PolarHBondContact O-N 2.99Å; S82-T84 PolarHBondContact OG-N 3.44Å; S82-T84 VanDerWaalsContact OG-N 3.16Å; S82-T84 PolarHBondContact OG-OG1 3.34Å; S82-T84 VanDerWaalsContact OG-OG1 3.07Å; S82-R85 WeakPolarHBondContact O-CG 3.38Å
83	Q	94.1	Very high	96.8	Very high	119 Å²	119	46.5 Å²	46.5	56%	0.556	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-16.3	173.9	-61.1	-63.1	-34.8	0	0	112.8
84	T	94.8	Very high	96.7	Very high	124 Å²	124	46.5 Å²	46.5	76%	0.761	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106	12.4	-178.7	58.4	0	0	0	0	113	S82	S82-T84 PolarHBondContact O-N 2.99Å; S82-T84 PolarHBondContact OG-N 3.44Å; S82-T84 VanDerWaalsContact OG-N 3.16Å; S82-T84 PolarHBondContact OG-OG1 3.34Å; S82-T84 VanDerWaalsContact OG-OG1 3.07Å
85	R	95.2	Very high	96.8	Very high	15 Å²	15	44 Å²	44	6%	0.057	24%	0.238	C	C	.	.			trans	-60.5	148.8	178.4	69.7	169.5	164.6	74.9	2.9	111.9	E79 S82 R87 L159 P161 D162	E79-R85 HydrophobicContact CG-CB 4.45Å; E79-R85 WeakPolarHBondContact O-CB 3.28Å; S82-R85 WeakPolarHBondContact O-CG 3.38Å; R85-R87 PolarHBondContact NH1-O 3.11Å; R85-L159 HydrophobicContact CG-CD1 4.11Å; R85-P161 WeakPolarHBondContact O-CG 3.33Å; R85-D162 IonicContact CZ-OD1 3.77Å; R85-D162 IonicContact CZ-OD2 3.33Å; R85-D162 IonicContact NH1-OD1 2.68Å; R85-D162 PolarHBondContact NH1-OD1 2.94Å; R85-D162 IonicContact NH1-OD2 2.76Å; R85-D162 PolarHBondContact NH1-OD2 3.49Å; R85-D162 IonicContact NH2-OD1 2.63Å; R85-D162 PolarHBondContact NH2-OD1 3.45Å; R85-D162 VanDerWaalsContact NH2-OD1 3.07Å; R85-D162 IonicContact NH2-OD2 3.07Å; R85-D162 PolarHBondContact NH2-OD2 3.45Å
86	V	94.1	Very high	96.8	Very high	126 Å²	126	39.7 Å²	39.7	76%	0.764	21%	0.211	S	C	*	.			trans	-103.4	-22.7	-177.4	-62.1	0	0	0	0	113.3	P161	V86-P161 WeakPolarHBondContact O-CG 3.36Å
87	R	95.4	Very high	96.7	Very high	67 Å²	67	39.7 Å²	39.7	25%	0.253	21%	0.213	S	C	.	.	S	Bend	trans	-90.7	156.6	179.2	-58	-164.6	-65.3	156.1	-6.2	111.4	E79 R85 I92 D95 P161	E79-R87 IonicContact OE1-CZ 3.68Å; E79-R87 IonicContact OE1-NE 3.24Å; E79-R87 PolarHBondContact OE1-NE 3.1Å; E79-R87 IonicContact OE1-NH2 3.65Å; E79-R87 IonicContact OE2-CZ 3.61Å; E79-R87 IonicContact OE2-NE 3.96Å; E79-R87 IonicContact OE2-NH2 3.79Å; E79-R87 PolarHBondContact OE2-NH2 2.89Å; R85-R87 PolarHBondContact NH1-O 3.11Å; R87-I92 HydrophobicContact CB-CD1 4.28Å; R87-I92 HydrophobicContact CB-CG1 4.11Å; R87-D95 IonicContact CZ-OD2 3.24Å; R87-D95 IonicContact NH1-OD2 3.01Å; R87-D95 PolarHBondContact NH1-OD2 3.48Å; R87-D95 IonicContact NH2-OD2 3.84Å; R87-D95 PolarHBondContact NH2-OD2 3.33Å; R87-P161 WeakPolarHBondContact O-CB 3.21Å
88	K	95.9	Very high	96.7	Very high	38 Å²	38	39.6 Å²	39.6	17%	0.165	21%	0.211	C	C	.	.			trans	-64.2	142.2	169.5	-62.5	168.7	176.1	-176	0	108.6	V90 Q91 I92 P161 H164 M165 D169	K88-V90 HydrophobicContact CB-CG1 3.97Å; K88-V90 PolarHBondContact O-N 3.46Å; K88-Q91 HydrophobicContact CB-CG 4.13Å; K88-Q91 WeakPolarHBondContact O-CB 3.4Å; K88-Q91 PolarHBondContact O-N 3Å; K88-I92 PolarHBondContact O-N 2.93Å; K88-P161 HydrophobicContact CG-CB 4.47Å; K88-P161 WeakPolarHBondContact CG-O 3.37Å; K88-H164 VanDerWaalsContact CE-O 3.25Å; K88-H164 WeakPolarHBondContact CE-O 3.41Å; K88-H164 PolarHBondContact NZ-O 3.21Å; K88-M165 HydrophobicContact CD-CG 4.19Å; K88-M165 HydrophobicContact CG-CG 4.39Å; K88-D169 IonicContact NZ-OD2 2.87Å; K88-D169 PolarHBondContact NZ-OD2 3.34Å
89	I	97.3	Very high	96.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-36.6	-178.6	-169.7	158.7	0	0	0	112.7	Q91 I92 L93 A146 A150 D162 L173	I89-Q91 PolarHBondContact O-N 2.5Å; I89-I92 PolarHBondContact O-N 3.5Å; I89-L93 HydrophobicContact CG1-CD1 4.15Å; I89-L93 HydrophobicContact CG1-CG 4.12Å; I89-L93 WeakPolarHBondContact O-CG 3.43Å; I89-L93 PolarHBondContact O-N 2.92Å; I89-A146 VanDerWaalsContact CD1-C 3.46Å; I89-A146 HydrophobicContact CD1-CB 3.51Å; I89-A150 HydrophobicContact CB-CB 4.48Å; I89-A150 HydrophobicContact CG2-CB 3.37Å; I89-D162 PolarHBondContact N-OD1 3.16Å; I89-D162 VanDerWaalsContact N-OD1 3.12Å; I89-L173 HydrophobicContact CG2-CD1 3.97Å; I89-L173 HydrophobicContact CG2-CD2 4.2Å
90	V	97.2	Very high	96.7	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.4	-32	177.9	60.9	0	0	0	0	112.6	K88 D94 M165 D169 V172 L173 Y511	K88-V90 HydrophobicContact CB-CG1 3.97Å; K88-V90 PolarHBondContact O-N 3.46Å; V90-D94 WeakPolarHBondContact O-CB 3.14Å; V90-D94 PolarHBondContact O-N 2.94Å; V90-M165 HydrophobicContact CG1-SD 4.27Å; V90-D169 HydrophobicContact CG1-CB 4.05Å; V90-V172 HydrophobicContact CG2-CB 3.9Å; V90-V172 HydrophobicContact CG2-CG1 3.73Å; V90-L173 HydrophobicContact CB-CB 4.32Å; V90-L173 HydrophobicContact CG2-CB 4.38Å; V90-Y511 HydrophobicContact CG1-CE1 4.43Å; V90-Y511 VanDerWaalsContact CG1-OH 3.28Å; V90-Y511 WeakPolarHBondContact CG1-OH 3.45Å; V90-Y511 HydrophobicContact CG2-CD2 4.5Å; V90-Y511 HydrophobicContact CG2-CE1 4.2Å; V90-Y511 HydrophobicContact CG2-CE2 4.02Å
91	Q	97.2	Very high	96.6	Very high	40 Å²	40	33.6 Å²	33.6	19%	0.187	18%	0.182	C	C	.	.	H	α-helix	trans	-69	-37.8	175.2	-65.2	172.2	-57.9	0	0	111.5	K88 I89 D95 Y511	K88-Q91 HydrophobicContact CB-CG 4.13Å; K88-Q91 WeakPolarHBondContact O-CB 3.4Å; K88-Q91 PolarHBondContact O-N 3Å; I89-Q91 PolarHBondContact O-N 2.5Å; Q91-D95 PolarHBondContact O-N 3.43Å; Q91-Y511 HydrophobicContact CG-CE1 3.96Å
92	I	97.8	Very high	96.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-73.9	-38.6	179.4	-51.6	168.2	0	0	0	110.4	L76 E79 A80 R87 K88 I89 D94 D95 L96	L76-I92 HydrophobicContact CB-CG2 4.19Å; L76-I92 HydrophobicContact CD2-CG2 4.15Å; L76-I92 VanDerWaalsContact O-CG2 3.29Å; L76-I92 WeakPolarHBondContact O-CG2 3.3Å; E79-I92 HydrophobicContact CB-CD1 4.42Å; E79-I92 HydrophobicContact CB-CG2 4.49Å; E79-I92 HydrophobicContact CG-CD1 3.82Å; A80-I92 HydrophobicContact CB-CB 4.33Å; A80-I92 HydrophobicContact CB-CD1 4.41Å; A80-I92 HydrophobicContact CB-CG2 3.79Å; R87-I92 HydrophobicContact CB-CD1 4.28Å; R87-I92 HydrophobicContact CB-CG1 4.11Å; K88-I92 PolarHBondContact O-N 2.93Å; I89-I92 PolarHBondContact O-N 3.5Å; I92-D94 VanDerWaalsContact C-N 3.34Å; I92-D95 WeakPolarHBondContact O-CB 3.28Å; I92-D95 PolarHBondContact O-N 3.43Å; I92-L96 PolarHBondContact O-N 2.63Å
93	L	97.9	Very high	96.6	Very high	5 Å²	5	34.6 Å²	34.6	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-64.3	-38.5	173.2	-67	174.1	0	0	0	111.8	I89 L96 S97 L143 L173 F176 F180	I89-L93 HydrophobicContact CG1-CD1 4.15Å; I89-L93 HydrophobicContact CG1-CG 4.12Å; I89-L93 WeakPolarHBondContact O-CG 3.43Å; I89-L93 PolarHBondContact O-N 2.92Å; L93-L96 HydrophobicContact CD2-CD1 4.23Å; L93-L96 WeakPolarHBondContact O-CB 3.22Å; L93-L96 PolarHBondContact O-N 3.16Å; L93-S97 WeakPolarHBondContact O-CB 3.11Å; L93-S97 PolarHBondContact O-N 2.83Å; L93-L143 HydrophobicContact CD2-CD1 3.82Å; L93-L143 HydrophobicContact CD2-CD2 4.13Å; L93-L143 HydrophobicContact CD2-CG 4.01Å; L93-L173 HydrophobicContact CD1-CD1 3.75Å; L93-F176 HydrophobicContact CB-CD1 4.28Å; L93-F176 HydrophobicContact CB-CD2 3.73Å; L93-F176 HydrophobicContact CB-CE1 4.21Å; L93-F176 HydrophobicContact CB-CE2 3.64Å; L93-F176 HydrophobicContact CB-CG 4.05Å; L93-F176 HydrophobicContact CB-CZ 3.9Å; L93-F176 HydrophobicContact CD1-CB 3.9Å; L93-F176 HydrophobicContact CD1-CD2 3.97Å; L93-F176 HydrophobicContact CD1-CG 3.99Å; L93-F176 WeakPolarHBondContact O-CZ 3.39Å; L93-F180 HydrophobicContact CD1-CE2 4.35Å; L93-F180 HydrophobicContact CD2-CE2 4.02Å; L93-F180 HydrophobicContact CD2-CZ 3.87Å
94	D	97.9	Very high	96.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67	-36.7	173.9	-170.4	61.3	0	0	0	112.3	V90 I92 S97 D98 R452 Y511 Q512 H513	V90-D94 WeakPolarHBondContact O-CB 3.14Å; V90-D94 PolarHBondContact O-N 2.94Å; I92-D94 VanDerWaalsContact C-N 3.34Å; D94-S97 PolarHBondContact O-N 2.91Å; D94-D98 WeakPolarHBondContact O-CB 3.24Å; D94-D98 PolarHBondContact O-N 3.2Å; D94-R452 IonicContact OD2-CZ 2.94Å; D94-R452 IonicContact OD2-NE 2.67Å; D94-R452 PolarHBondContact OD2-NE 2.62Å; D94-R452 IonicContact OD2-NH2 3.13Å; D94-R452 PolarHBondContact OD2-NH2 2.97Å; D94-Y511 HydrophobicContact CB-CD1 3.62Å; D94-Y511 HydrophobicContact CB-CE1 4.35Å; D94-Y511 HydrophobicContact CB-CG 4.39Å; D94-Y511 WeakPolarHBondContact OD1-CB 3.1Å; D94-Y511 WeakPolarHBondContact OD2-CA 3.46Å; D94-Y511 WeakPolarHBondContact OD2-CD1 3.48Å; D94-Q512 WeakPolarHBondContact OD1-CA 3.41Å; D94-Q512 PolarHBondContact OD1-N 3.25Å; D94-Q512 PolarHBondContact OD2-N 2.89Å; D94-Q512 VanDerWaalsContact OD2-N 3.13Å; D94-H513 PolarHBondContact OD1-N 3.06Å
95	D	97.8	Very high	96.7	Very high	29 Å²	29	26.1 Å²	26.1	16%	0.155	13%	0.134	C	C	.	.	H	α-helix	trans	-62.6	-46.4	170.1	-72.6	-6.5	0	0	0	111.7	L76 R87 Q91 I92 S97 D98 T99 R452	L76-D95 HydrophobicContact CD1-CB 3.85Å; L76-D95 HydrophobicContact CD2-CB 3.83Å; R87-D95 IonicContact CZ-OD2 3.24Å; R87-D95 IonicContact NH1-OD2 3.01Å; R87-D95 PolarHBondContact NH1-OD2 3.48Å; R87-D95 IonicContact NH2-OD2 3.84Å; R87-D95 PolarHBondContact NH2-OD2 3.33Å; Q91-D95 PolarHBondContact O-N 3.43Å; I92-D95 WeakPolarHBondContact O-CB 3.28Å; I92-D95 PolarHBondContact O-N 3.43Å; D95-S97 VanDerWaalsContact C-N 3.29Å; D95-S97 PolarHBondContact O-N 2.74Å; D95-D98 PolarHBondContact O-N 2.93Å; D95-T99 WeakPolarHBondContact O-CB 3.45Å; D95-T99 PolarHBondContact O-N 2.95Å; D95-T99 PolarHBondContact O-OG1 2.99Å; D95-R452 IonicContact OD1-CZ 3.16Å; D95-R452 IonicContact OD1-NH1 3.63Å; D95-R452 PolarHBondContact OD1-NH1 2.87Å; D95-R452 IonicContact OD1-NH2 2.7Å; D95-R452 PolarHBondContact OD1-NH2 3.12Å
96	L	97.7	Very high	96.8	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.037	13%	0.133	C	C	.	.	H	α-helix	trans	-55.7	-47.9	174.9	-79.8	166.5	0	0	0	110.7	C73 L76 I92 L93 T99 L100 L137 L143	C73-L96 HydrophobicContact CB-CD2 3.96Å; C73-L96 WeakPolarHBondContact O-CD2 3.29Å; L76-L96 HydrophobicContact CB-CD1 4.43Å; L76-L96 HydrophobicContact CB-CD2 3.56Å; L76-L96 HydrophobicContact CB-CG 3.72Å; L76-L96 HydrophobicContact CD1-CD2 4.03Å; L76-L96 HydrophobicContact CD1-CG 4.14Å; L76-L96 HydrophobicContact CG-CD2 4.46Å; I92-L96 PolarHBondContact O-N 2.63Å; L93-L96 HydrophobicContact CD2-CD1 4.23Å; L93-L96 WeakPolarHBondContact O-CB 3.22Å; L93-L96 PolarHBondContact O-N 3.16Å; L96-T99 PolarHBondContact O-N 2.7Å; L96-L100 WeakPolarHBondContact O-CB 3.46Å; L96-L100 WeakPolarHBondContact O-CD1 3.5Å; L96-L100 WeakPolarHBondContact O-CG 3.28Å; L96-L100 PolarHBondContact O-N 2.68Å; L96-L137 HydrophobicContact CD2-CD1 4.49Å; L96-L143 HydrophobicContact CD1-CD1 4.38Å; L96-L143 HydrophobicContact CD1-CD2 4.08Å
97	S	97.3	Very high	96.9	Very high	14 Å²	14	19.7 Å²	19.7	10%	0.098	10%	0.097	C	C	.	.	H	α-helix	trans	-61.4	-45.8	178.3	-167.2	0	0	0	0	111.7	L93 D94 D95 L100 C101 H513	L93-S97 WeakPolarHBondContact O-CB 3.11Å; L93-S97 PolarHBondContact O-N 2.83Å; D94-S97 PolarHBondContact O-N 2.91Å; D95-S97 VanDerWaalsContact C-N 3.29Å; D95-S97 PolarHBondContact O-N 2.74Å; S97-L100 PolarHBondContact O-N 2.79Å; S97-C101 WeakPolarHBondContact O-CB 3.48Å; S97-C101 PolarHBondContact O-N 2.86Å; S97-C101 PolarHBondContact O-SG 2.81Å; S97-H513 PolarHBondContact OG-ND1 3.24Å
98	D	97.5	Very high	97	Very high	7 Å²	7	19 Å²	19	4%	0.037	10%	0.098	C	C	.	.	H	α-helix	trans	-59.4	-50.4	176	-173	72.3	0	0	0	111.7	D94 D95 L100 C101 R102 Q464 Q512	D94-D98 WeakPolarHBondContact O-CB 3.24Å; D94-D98 PolarHBondContact O-N 3.2Å; D95-D98 PolarHBondContact O-N 2.93Å; D98-L100 VanDerWaalsContact C-N 3.29Å; D98-L100 PolarHBondContact O-N 2.8Å; D98-C101 PolarHBondContact O-N 3.23Å; D98-R102 VanDerWaalsContact O-CB 3.31Å; D98-R102 WeakPolarHBondContact O-CB 3.45Å; D98-R102 WeakPolarHBondContact O-CG 3.17Å; D98-R102 PolarHBondContact O-N 3.03Å; D98-R102 WeakPolarHBondContact OD2-CD 3.4Å; D98-R102 IonicContact OD2-NH1 3.41Å; D98-Q464 PolarHBondContact OD1-NE2 3.39Å; D98-Q512 HydrophobicContact CB-CG 3.92Å
99	T	97.7	Very high	97	Very high	8 Å²	8	17.2 Å²	17.2	5%	0.049	9%	0.09	C	C	.	.	H	α-helix	trans	-59.9	-38.1	-178.7	-62.5	0	0	0	0	111.9	T69 E72 D95 L96	T69-T99 HydrophobicContact CG2-CG2 4.05Å; T69-T99 WeakPolarHBondContact CG2-O 3.36Å; E72-T99 HydrophobicContact CB-CG2 3.95Å; E72-T99 HydrophobicContact CG-CG2 3.89Å; E72-T99 PolarHBondContact OE1-OG1 3.06Å; D95-T99 WeakPolarHBondContact O-CB 3.45Å; D95-T99 PolarHBondContact O-N 2.95Å; D95-T99 PolarHBondContact O-OG1 2.99Å; L96-T99 PolarHBondContact O-N 2.7Å
100	L	97.4	Very high	97.1	Very high	17 Å²	17	17.2 Å²	17.2	9%	0.089	9%	0.09	C	C	.	.	H	α-helix	trans	-72	-51.7	174.2	-66.5	162.5	0	0	0	112.3	L96 S97 D98 R102 V103 A104 I130 L133 V134 L137	L96-L100 WeakPolarHBondContact O-CB 3.46Å; L96-L100 WeakPolarHBondContact O-CD1 3.5Å; L96-L100 WeakPolarHBondContact O-CG 3.28Å; L96-L100 PolarHBondContact O-N 2.68Å; S97-L100 PolarHBondContact O-N 2.79Å; D98-L100 VanDerWaalsContact C-N 3.29Å; D98-L100 PolarHBondContact O-N 2.8Å; L100-R102 VanDerWaalsContact C-N 3.31Å; L100-R102 PolarHBondContact O-N 2.8Å; L100-V103 PolarHBondContact O-N 2.83Å; L100-V103 VanDerWaalsContact O-N 3.08Å; L100-A104 PolarHBondContact O-N 3.13Å; L100-I130 HydrophobicContact CD2-CG2 4.17Å; L100-L133 HydrophobicContact CD2-CB 4.49Å; L100-L133 HydrophobicContact CD2-CD2 3.5Å; L100-L133 HydrophobicContact CD2-CG 3.87Å; L100-V134 HydrophobicContact CD1-CG2 4.15Å; L100-V134 HydrophobicContact CD2-CG2 4.17Å; L100-L137 HydrophobicContact CD1-CD1 3.65Å; L100-L137 HydrophobicContact CD2-CD1 4.06Å; L100-L137 HydrophobicContact CG-CD1 4.33Å
101	C	96.1	Very high	97	Very high	16 Å²	16	20.6 Å²	20.6	11%	0.108	10%	0.103	C	C	.	.	H	α-helix	trans	-63.8	-36.6	-173.9	-69	0	0	0	0	112	S97 D98 V103 A104 D105 R518	S97-C101 WeakPolarHBondContact O-CB 3.48Å; S97-C101 PolarHBondContact O-N 2.86Å; S97-C101 PolarHBondContact O-SG 2.81Å; D98-C101 PolarHBondContact O-N 3.23Å; C101-V103 PolarHBondContact O-N 2.84Å; C101-A104 PolarHBondContact O-N 3.35Å; C101-D105 WeakPolarHBondContact CB-OD2 3.31Å; C101-D105 WeakPolarHBondContact O-CB 3.43Å; C101-D105 PolarHBondContact O-N 3.12Å; C101-R518 PolarHBondContact SG-NH2 2.81Å
102	R	94.4	Very high	96.9	Very high	92 Å²	92	20.7 Å²	20.7	35%	0.347	10%	0.104	S	C	.	.	H	α-helix	trans	-59.4	-18.2	175.7	-77.5	178	64.6	-179.4	-4.7	113.8	D98 L100 L106 R449	D98-R102 VanDerWaalsContact O-CB 3.31Å; D98-R102 WeakPolarHBondContact O-CB 3.45Å; D98-R102 WeakPolarHBondContact O-CG 3.17Å; D98-R102 PolarHBondContact O-N 3.03Å; D98-R102 WeakPolarHBondContact OD2-CD 3.4Å; D98-R102 IonicContact OD2-NH1 3.41Å; L100-R102 VanDerWaalsContact C-N 3.31Å; L100-R102 PolarHBondContact O-N 2.8Å; R102-L106 WeakPolarHBondContact O-CD2 3.36Å; R102-L106 VanDerWaalsContact O-CG 3.32Å; R102-L106 WeakPolarHBondContact O-CG 3.14Å; R102-R449 HydrophobicContact CG-CG 4.37Å
103	V	97.1	Very high	96.8	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.012	11%	0.105	C	C	.	.	H	α-helix	trans	-103.8	-45.7	172.1	-174.2	0	0	0	0	111	L65 V66 T69 L100 C101 S107 I130	L65-V103 HydrophobicContact CD1-CG2 4.09Å; L65-V103 HydrophobicContact CD2-CG1 4.14Å; L65-V103 HydrophobicContact CD2-CG2 3.96Å; L65-V103 HydrophobicContact CG-CG1 4.21Å; L65-V103 HydrophobicContact CG-CG2 3.69Å; V66-V103 HydrophobicContact CG2-CG1 4.12Å; T69-V103 HydrophobicContact CG2-CG2 4.15Å; T69-V103 WeakPolarHBondContact OG1-CG2 3.3Å; L100-V103 PolarHBondContact O-N 2.83Å; L100-V103 VanDerWaalsContact O-N 3.08Å; C101-V103 PolarHBondContact O-N 2.84Å; V103-S107 WeakPolarHBondContact O-CB 3.5Å; V103-S107 PolarHBondContact O-N 2.68Å; V103-S107 PolarHBondContact O-OG 2.81Å; V103-I130 HydrophobicContact CB-CD1 4.14Å; V103-I130 HydrophobicContact CB-CG1 4.02Å; V103-I130 HydrophobicContact CG1-CD1 4.08Å; V103-I130 HydrophobicContact CG1-CG1 3.73Å
104	A	95.9	Very high	96.8	Very high	29 Å²	29	21.1 Å²	21.1	24%	0.24	11%	0.106	C	C	.	.	H	α-helix	trans	-58.6	-53.3	-177	0	0	0	0	0	112.1	L100 C101 S107 D108 I130	L100-A104 PolarHBondContact O-N 3.13Å; C101-A104 PolarHBondContact O-N 3.35Å; A104-S107 PolarHBondContact O-N 2.8Å; A104-D108 PolarHBondContact O-N 2.74Å; A104-I130 HydrophobicContact CB-CG2 3.87Å
105	D	95.9	Very high	96.6	Very high	36 Å²	36	24.8 Å²	24.8	19%	0.193	13%	0.13	C	C	.	.	H	α-helix	trans	-70.6	-42.7	-170.7	-55.9	-28.2	0	0	0	111.5	C101 S107 D108 C109 T447 R518	C101-D105 WeakPolarHBondContact CB-OD2 3.31Å; C101-D105 WeakPolarHBondContact O-CB 3.43Å; C101-D105 PolarHBondContact O-N 3.12Å; D105-S107 VanDerWaalsContact C-N 3.27Å; D105-S107 PolarHBondContact O-N 3.39Å; D105-D108 PolarHBondContact O-N 2.69Å; D105-C109 WeakPolarHBondContact O-CB 3.38Å; D105-C109 PolarHBondContact O-N 2.98Å; D105-T447 WeakPolarHBondContact CB-O 3.21Å; D105-T447 VanDerWaalsContact CG-O 3.3Å; D105-T447 VanDerWaalsContact OD2-O 3.07Å; D105-R518 VanDerWaalsContact CG-NH2 3.33Å; D105-R518 IonicContact OD1-NH2 3.54Å; D105-R518 PolarHBondContact OD1-NH2 2.8Å; D105-R518 IonicContact OD2-CZ 2.79Å; D105-R518 IonicContact OD2-NH2 2.75Å; D105-R518 PolarHBondContact OD2-NH2 3.11Å
106	L	96.6	Very high	96.5	Very high	6 Å²	6	26.8 Å²	26.8	3%	0.031	14%	0.14	C	C	.	.	H	α-helix	trans	-65.8	-35	176.6	81.2	73.2	0	0	0	111.3	F51 L56 F62 R102 I110 I448	F51-L106 HydrophobicContact CD2-CB 4.25Å; F51-L106 HydrophobicContact CE2-CB 4.04Å; L56-L106 HydrophobicContact CD1-CD1 3.58Å; L56-L106 HydrophobicContact CD1-CD2 3.8Å; L56-L106 HydrophobicContact CD1-CG 4.43Å; F62-L106 HydrophobicContact CE1-CD1 3.71Å; F62-L106 HydrophobicContact CZ-CD1 4.27Å; R102-L106 WeakPolarHBondContact O-CD2 3.36Å; R102-L106 VanDerWaalsContact O-CG 3.32Å; R102-L106 WeakPolarHBondContact O-CG 3.14Å; L106-I110 WeakPolarHBondContact O-CB 3.38Å; L106-I110 VanDerWaalsContact O-CG1 3.24Å; L106-I110 WeakPolarHBondContact O-CG1 3.32Å; L106-I110 PolarHBondContact O-N 3.15Å; L106-I448 HydrophobicContact CB-CD1 4.49Å; L106-I448 HydrophobicContact CB-CG2 3.82Å
107	S	98	Very high	96.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-70.8	-39.2	179.3	-61.4	0	0	0	0	110.2	V103 A104 D105 I110 R111 A123 A126 C127	V103-S107 WeakPolarHBondContact O-CB 3.5Å; V103-S107 PolarHBondContact O-N 2.68Å; V103-S107 PolarHBondContact O-OG 2.81Å; A104-S107 PolarHBondContact O-N 2.8Å; D105-S107 VanDerWaalsContact C-N 3.27Å; D105-S107 PolarHBondContact O-N 3.39Å; S107-I110 PolarHBondContact O-N 3.5Å; S107-R111 WeakPolarHBondContact O-CB 3.43Å; S107-R111 PolarHBondContact O-N 3.31Å; S107-A123 WeakPolarHBondContact O-CB 2.92Å; S107-A126 WeakPolarHBondContact OG-CB 3.47Å; S107-C127 VanDerWaalsContact C-SG 3.53Å; S107-C127 WeakPolarHBondContact CB-SG 3.42Å
108	D	96	Very high	96.5	Very high	53 Å²	53	35.2 Å²	35.2	28%	0.283	19%	0.186	S	C	.	.	H	α-helix	trans	-63.7	-45	176.3	-166.6	57.5	0	0	0	111.5	A104 D105 I110 R111 M112 C127	A104-D108 PolarHBondContact O-N 2.74Å; D105-D108 PolarHBondContact O-N 2.69Å; D108-I110 PolarHBondContact O-N 3.19Å; D108-R111 PolarHBondContact O-N 2.91Å; D108-R111 IonicContact OD1-CZ 3.54Å; D108-R111 IonicContact OD1-NE 2.78Å; D108-R111 PolarHBondContact OD1-NE 3.3Å; D108-R111 IonicContact OD1-NH2 3.11Å; D108-R111 PolarHBondContact OD1-NH2 3.34Å; D108-M112 VanDerWaalsContact O-CG 3.3Å; D108-M112 WeakPolarHBondContact O-CG 3.09Å; D108-M112 PolarHBondContact O-N 3.04Å; D108-M112 VanDerWaalsContact O-N 3.16Å; D108-C127 PolarHBondContact N-SG 2.81Å; D108-C127 VanDerWaalsContact N-SG 3.39Å
109	C	97.2	Very high	96.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-55.1	-50.6	173.3	-176.8	0	0	0	0	111.9	F51 D105 M112 L113 Y446 I448	F51-C109 HydrophobicContact CZ-CB 4.45Å; D105-C109 WeakPolarHBondContact O-CB 3.38Å; D105-C109 PolarHBondContact O-N 2.98Å; C109-M112 PolarHBondContact O-N 3.32Å; C109-L113 VanDerWaalsContact O-CB 3.3Å; C109-L113 WeakPolarHBondContact O-CB 3.11Å; C109-L113 PolarHBondContact O-N 2.99Å; C109-Y446 HydrophobicContact CB-CD1 3.99Å; C109-Y446 HydrophobicContact CB-CD2 4.42Å; C109-Y446 HydrophobicContact CB-CE1 4.47Å; C109-Y446 HydrophobicContact CB-CG 3.97Å; C109-I448 HydrophobicContact CB-CD1 3.77Å
110	I	97.8	Very high	96.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.7	-38.5	-177.6	-67.4	-62.6	0	0	0	112.2	L50 F51 F62 L106 S107 D108 M112 L113 H114 A123 W406	L50-I110 HydrophobicContact CD1-CD1 3.82Å; L50-I110 HydrophobicContact CD1-CG1 4Å; L50-I110 HydrophobicContact CD1-CG2 4.2Å; L50-I110 HydrophobicContact CD2-CD1 4.07Å; L50-I110 HydrophobicContact CG-CD1 4.4Å; F51-I110 HydrophobicContact CE2-CD1 3.7Å; F51-I110 HydrophobicContact CE2-CG1 3.75Å; F51-I110 HydrophobicContact CZ-CD1 4Å; F51-I110 HydrophobicContact CZ-CG1 4.32Å; F62-I110 HydrophobicContact CZ-CB 4.32Å; F62-I110 HydrophobicContact CZ-CG1 4.43Å; F62-I110 HydrophobicContact CZ-CG2 3.92Å; L106-I110 WeakPolarHBondContact O-CB 3.38Å; L106-I110 VanDerWaalsContact O-CG1 3.24Å; L106-I110 WeakPolarHBondContact O-CG1 3.32Å; L106-I110 PolarHBondContact O-N 3.15Å; S107-I110 PolarHBondContact O-N 3.5Å; D108-I110 PolarHBondContact O-N 3.19Å; I110-M112 PolarHBondContact O-N 2.99Å; I110-L113 PolarHBondContact O-N 2.94Å; I110-H114 HydrophobicContact CG2-CB 3.85Å; I110-H114 WeakPolarHBondContact O-CB 3.15Å; I110-H114 PolarHBondContact O-N 2.87Å; I110-A123 HydrophobicContact CB-CB 4.06Å; I110-A123 HydrophobicContact CG2-CB 3.81Å; I110-W406 HydrophobicContact CD1-CB 4.21Å; I110-W406 HydrophobicContact CD1-CD2 4.27Å; I110-W406 HydrophobicContact CD1-CE3 3.95Å; I110-W406 HydrophobicContact CD1-CG 4.43Å
111	R	96.2	Very high	96.5	Very high	72 Å²	72	45.5 Å²	45.5	27%	0.272	22%	0.223	S	C	.	.	H	α-helix	trans	-57.1	-37.8	175.2	-179.3	-176	70	75.4	0	112.1	S107 D108 R120 A123 L124	S107-R111 WeakPolarHBondContact O-CB 3.43Å; S107-R111 PolarHBondContact O-N 3.31Å; D108-R111 PolarHBondContact O-N 2.91Å; D108-R111 IonicContact OD1-CZ 3.54Å; D108-R111 IonicContact OD1-NE 2.78Å; D108-R111 PolarHBondContact OD1-NE 3.3Å; D108-R111 IonicContact OD1-NH2 3.11Å; D108-R111 PolarHBondContact OD1-NH2 3.34Å; R111-R120 PolarHBondContact O-NE 3.3Å; R111-A123 HydrophobicContact CB-CB 4.05Å; R111-L124 HydrophobicContact CG-CB 3.93Å
112	M	94.9	Very high	96.6	Very high	41 Å²	41	45.9 Å²	45.9	20%	0.202	23%	0.226	C	C	.	.	H	α-helix	trans	-84.4	-37.5	-179.2	-63.4	-57.6	-67.5	0	0	113.1	D108 C109 I110 P440	D108-M112 VanDerWaalsContact O-CG 3.3Å; D108-M112 WeakPolarHBondContact O-CG 3.09Å; D108-M112 PolarHBondContact O-N 3.04Å; D108-M112 VanDerWaalsContact O-N 3.16Å; C109-M112 PolarHBondContact O-N 3.32Å; I110-M112 PolarHBondContact O-N 2.99Å; M112-P440 HydrophobicContact CB-CG 4.43Å; M112-P440 HydrophobicContact CE-CB 4.3Å; M112-P440 HydrophobicContact CE-CG 3.51Å; M112-P440 WeakPolarHBondContact O-CD 3.39Å
113	L	96.1	Very high	96.8	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.016	21%	0.209	C	C	.	.	H	α-helix	trans	-106.2	-24.9	-166.5	-70.8	-178.3	0	0	0	116.1	C109 I110 W406 R436 K439 Y446 T469 Q471	C109-L113 VanDerWaalsContact O-CB 3.3Å; C109-L113 WeakPolarHBondContact O-CB 3.11Å; C109-L113 PolarHBondContact O-N 2.99Å; I110-L113 PolarHBondContact O-N 2.94Å; L113-W406 HydrophobicContact CD1-CZ2 3.81Å; L113-R436 PolarHBondContact O-NH2 2.81Å; L113-K439 HydrophobicContact CD2-CD 4.4Å; L113-K439 HydrophobicContact CD2-CG 3.92Å; L113-Y446 HydrophobicContact CD1-CE2 4.2Å; L113-T469 HydrophobicContact CD1-CG2 4.03Å; L113-Q471 HydrophobicContact CD1-CB 4.46Å; L113-Q471 VanDerWaalsContact CD2-CD 3.5Å; L113-Q471 HydrophobicContact CD2-CG 4.18Å
114	H	96.6	Very high	96.8	Very high	12 Å²	12	44.4 Å²	44.4	6%	0.056	23%	0.225	C	C	.	.			trans	-70.4	131.2	-173	-163.2	-67.3	0	0	0	110.8	I110 D116 Y119 R120 W406	I110-H114 HydrophobicContact CG2-CB 3.85Å; I110-H114 WeakPolarHBondContact O-CB 3.15Å; I110-H114 PolarHBondContact O-N 2.87Å; H114-D116 WeakPolarHBondContact CE1-CB 3.33Å; H114-D116 VanDerWaalsContact ND1-CB 3.33Å; H114-D116 WeakPolarHBondContact ND1-CB 3.44Å; H114-D116 PolarHBondContact ND1-N 2.86Å; H114-D116 PolarHBondContact ND1-O 3.16Å; H114-Y119 AromaticContact CD2-CG 3.69Å; H114-Y119 AromaticContact CE1-CD2 3.3Å; H114-Y119 WeakPolarHBondContact CE1-CD2 3.36Å; H114-Y119 AromaticContact CE1-CE2 3.98Å; H114-Y119 AromaticContact CE1-CG 3.58Å; H114-Y119 VanDerWaalsContact CG-CB 3.46Å; H114-Y119 AromaticContact CG-CG 3.96Å; H114-Y119 WeakPolarHBondContact ND1-CB 3.48Å; H114-Y119 AromaticContact ND1-CD2 3.9Å; H114-Y119 AromaticContact ND1-CG 3.84Å; H114-Y119 AromaticContact NE2-CD1 3.92Å; H114-Y119 AromaticContact NE2-CD2 3.48Å; H114-Y119 WeakPolarHBondContact NE2-CD2 3.41Å; H114-Y119 AromaticContact NE2-CE2 3.9Å; H114-Y119 AromaticContact NE2-CG 3.48Å; H114-R120 HydrophobicContact CB-CG 4.24Å; H114-R120 WeakPolarHBondContact O-CD 3.44Å; H114-R120 WeakPolarHBondContact O-CG 3.26Å; H114-W406 HydrophobicContact CB-CB 4.2Å; H114-W406 WeakPolarHBondContact CD2-CB 3.44Å
115	P	95.5	Very high	96.9	Very high	77 Å²	77	47.2 Å²	47.2	50%	0.5	23%	0.231	S	C	.	.	S	Bend	trans	-71	-32.2	-178	27.8	-36	0	0	0	113.6	W406	P115-W406 WeakPolarHBondContact CD-O 3.49Å; P115-W406 WeakPolarHBondContact CG-O 3.45Å
116	D	95.6	Very high	97	Very high	71 Å²	71	45.7 Å²	45.7	38%	0.38	22%	0.223	S	C	.	.	S	Bend	trans	-74.6	123.2	176.1	-173.9	-18	0	0	0	111.8	H114 A118 Y119 R120	H114-D116 WeakPolarHBondContact CE1-CB 3.33Å; H114-D116 VanDerWaalsContact ND1-CB 3.33Å; H114-D116 WeakPolarHBondContact ND1-CB 3.44Å; H114-D116 PolarHBondContact ND1-N 2.86Å; H114-D116 PolarHBondContact ND1-O 3.16Å; D116-A118 VanDerWaalsContact C-N 3.28Å; D116-A118 PolarHBondContact O-N 3.28Å; D116-A118 WeakPolarHBondContact OD1-CB 3.16Å; D116-A118 PolarHBondContact OD1-N 2.81Å; D116-Y119 HydrophobicContact CB-CD2 3.95Å; D116-Y119 PolarHBondContact O-N 3.38Å; D116-R120 WeakPolarHBondContact O-CG 3.33Å; D116-R120 PolarHBondContact O-N 3.39Å
117	E	96.2	Very high	97	Very high	153 Å²	153	46.8 Å²	46.8	72%	0.715	23%	0.231	S	C	*	.	H	α-helix	trans	-60.3	-33.1	179.1	-170.7	176.2	-176.2	0	0	113.2	R120 Y121	E117-R120 PolarHBondContact O-N 3.38Å; E117-Y121 WeakPolarHBondContact O-CB 3.3Å; E117-Y121 PolarHBondContact O-N 2.87Å
118	A	97.6	Very high	96.8	Very high	45 Å²	45	51.5 Å²	51.5	37%	0.372	25%	0.254	S	S	.	.	H	α-helix	trans	-65	-43.2	179.2	0	0	0	0	0	111.6	P59 D116 Y121 S122	P59-A118 HydrophobicContact CB-CB 4.18Å; P59-A118 HydrophobicContact CG-CB 3.89Å; D116-A118 VanDerWaalsContact C-N 3.28Å; D116-A118 PolarHBondContact O-N 3.28Å; D116-A118 WeakPolarHBondContact OD1-CB 3.16Å; D116-A118 PolarHBondContact OD1-N 2.81Å; A118-Y121 PolarHBondContact O-N 2.89Å; A118-S122 WeakPolarHBondContact O-CB 3.26Å; A118-S122 PolarHBondContact O-N 3.33Å; A118-S122 PolarHBondContact O-OG 3.4Å
119	Y	97.6	Very high	96.8	Very high	12 Å²	12	51.4 Å²	51.4	5%	0.047	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-43.6	173.7	-84.5	-85.8	0	0	0	111.5	L50 T57 S58 P59 F62 H114 D116 Y121 S122 A123	L50-Y119 HydrophobicContact CD1-CD1 3.73Å; L50-Y119 HydrophobicContact CD1-CE1 3.71Å; L50-Y119 HydrophobicContact CG-CE1 4.37Å; T57-Y119 PolarHBondContact O-OH 2.9Å; S58-Y119 WeakPolarHBondContact CA-OH 3.15Å; P59-Y119 HydrophobicContact CG-CD1 4.32Å; P59-Y119 HydrophobicContact CG-CD2 3.66Å; P59-Y119 HydrophobicContact CG-CE1 4.3Å; P59-Y119 HydrophobicContact CG-CE2 3.64Å; P59-Y119 HydrophobicContact CG-CG 4.02Å; F62-Y119 AromaticContact CE2-CD1 3.97Å; F62-Y119 HydrophobicContact CE2-CD1 3.97Å; F62-Y119 HydrophobicContact CE2-CE1 4.41Å; H114-Y119 AromaticContact CD2-CG 3.69Å; H114-Y119 AromaticContact CE1-CD2 3.3Å; H114-Y119 WeakPolarHBondContact CE1-CD2 3.36Å; H114-Y119 AromaticContact CE1-CE2 3.98Å; H114-Y119 AromaticContact CE1-CG 3.58Å; H114-Y119 VanDerWaalsContact CG-CB 3.46Å; H114-Y119 AromaticContact CG-CG 3.96Å; H114-Y119 WeakPolarHBondContact ND1-CB 3.48Å; H114-Y119 AromaticContact ND1-CD2 3.9Å; H114-Y119 AromaticContact ND1-CG 3.84Å; H114-Y119 AromaticContact NE2-CD1 3.92Å; H114-Y119 AromaticContact NE2-CD2 3.48Å; H114-Y119 WeakPolarHBondContact NE2-CD2 3.41Å; H114-Y119 AromaticContact NE2-CE2 3.9Å; H114-Y119 AromaticContact NE2-CG 3.48Å; D116-Y119 HydrophobicContact CB-CD2 3.95Å; D116-Y119 PolarHBondContact O-N 3.38Å; Y119-Y121 VanDerWaalsContact C-N 3.34Å; Y119-Y121 PolarHBondContact O-N 3.24Å; Y119-S122 PolarHBondContact O-N 3.14Å; Y119-A123 VanDerWaalsContact O-CB 3.22Å; Y119-A123 WeakPolarHBondContact O-CB 3.43Å; Y119-A123 PolarHBondContact O-N 3.25Å
120	R	97.4	Very high	96.8	Very high	100 Å²	100	51.4 Å²	51.4	38%	0.377	26%	0.257	S	S	.	.	H	α-helix	trans	-60.9	-44.2	178.4	-64.7	173.9	72.2	-172	0.8	111.9	R111 H114 D116 E117 L124	R111-R120 PolarHBondContact O-NE 3.3Å; H114-R120 HydrophobicContact CB-CG 4.24Å; H114-R120 WeakPolarHBondContact O-CD 3.44Å; H114-R120 WeakPolarHBondContact O-CG 3.26Å; D116-R120 WeakPolarHBondContact O-CG 3.33Å; D116-R120 PolarHBondContact O-N 3.39Å; E117-R120 PolarHBondContact O-N 3.38Å; R120-L124 WeakPolarHBondContact O-CB 3.44Å; R120-L124 PolarHBondContact O-N 2.98Å
121	Y	98	Very high	96.6	Very high	135 Å²	135	53.4 Å²	53.4	53%	0.529	28%	0.277	S	S	.	.	H	α-helix	trans	-65.7	-47.7	179.1	179.1	-98.3	0	0	0	111.9	E117 A118 Y119 A123 L124 K125	E117-Y121 WeakPolarHBondContact O-CB 3.3Å; E117-Y121 PolarHBondContact O-N 2.87Å; A118-Y121 PolarHBondContact O-N 2.89Å; Y119-Y121 VanDerWaalsContact C-N 3.34Å; Y119-Y121 PolarHBondContact O-N 3.24Å; Y121-A123 VanDerWaalsContact C-N 3.33Å; Y121-A123 PolarHBondContact O-N 3.01Å; Y121-L124 WeakPolarHBondContact O-CB 3.47Å; Y121-L124 PolarHBondContact O-N 3.46Å; Y121-K125 HydrophobicContact CD1-CG 4.42Å; Y121-K125 HydrophobicContact CE1-CG 4Å; Y121-K125 VanDerWaalsContact CZ-CE 3.47Å; Y121-K125 WeakPolarHBondContact O-CG 3.35Å; Y121-K125 PolarHBondContact O-N 2.87Å; Y121-K125 WeakPolarHBondContact OH-CE 3.38Å
122	S	98.4	Very high	96.4	Very high	25 Å²	25	56.8 Å²	56.8	18%	0.175	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-41.4	176.8	-75.3	0	0	0	0	112.5	P59 A118 Y119 K125 A126	P59-S122 WeakPolarHBondContact O-CB 3.37Å; P59-S122 PolarHBondContact O-OG 3.34Å; A118-S122 WeakPolarHBondContact O-CB 3.26Å; A118-S122 PolarHBondContact O-N 3.33Å; A118-S122 PolarHBondContact O-OG 3.4Å; Y119-S122 PolarHBondContact O-N 3.14Å; S122-K125 PolarHBondContact O-N 3.2Å; S122-A126 PolarHBondContact O-N 3.3Å
123	A	98.1	Very high	96.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-66.1	-39.9	176.3	0	0	0	0	0	111.7	F62 S107 I110 R111 Y119 Y121 K125 A126 C127	F62-A123 HydrophobicContact CD1-CB 4.33Å; F62-A123 HydrophobicContact CE1-CB 3.88Å; F62-A123 HydrophobicContact CZ-CB 4.13Å; S107-A123 WeakPolarHBondContact O-CB 2.92Å; I110-A123 HydrophobicContact CB-CB 4.06Å; I110-A123 HydrophobicContact CG2-CB 3.81Å; R111-A123 HydrophobicContact CB-CB 4.05Å; Y119-A123 VanDerWaalsContact O-CB 3.22Å; Y119-A123 WeakPolarHBondContact O-CB 3.43Å; Y119-A123 PolarHBondContact O-N 3.25Å; Y121-A123 VanDerWaalsContact C-N 3.33Å; Y121-A123 PolarHBondContact O-N 3.01Å; A123-K125 VanDerWaalsContact C-N 3.32Å; A123-K125 PolarHBondContact O-N 3.03Å; A123-A126 PolarHBondContact O-N 3.14Å; A123-C127 PolarHBondContact O-N 3.25Å; A123-C127 PolarHBondContact O-SG 3.31Å
124	L	97.2	Very high	96.3	Very high	63 Å²	63	57.3 Å²	57.3	33%	0.33	30%	0.301	S	S	.	.	H	α-helix	trans	-57.2	-43.8	169.9	172.3	63.4	0	0	0	112.2	R111 R120 Y121 C127 Q128	R111-L124 HydrophobicContact CG-CB 3.93Å; R120-L124 WeakPolarHBondContact O-CB 3.44Å; R120-L124 PolarHBondContact O-N 2.98Å; Y121-L124 WeakPolarHBondContact O-CB 3.47Å; Y121-L124 PolarHBondContact O-N 3.46Å; L124-C127 PolarHBondContact O-N 3.14Å; L124-Q128 HydrophobicContact CD1-CG 4.41Å; L124-Q128 WeakPolarHBondContact O-CG 3.21Å; L124-Q128 PolarHBondContact O-N 2.91Å
125	K	97.9	Very high	95.9	Very high	88 Å²	88	61.1 Å²	61.1	38%	0.383	32%	0.319	S	S	.	.	H	α-helix	trans	-63.3	-41.1	175.5	-69.1	-54.5	-174.1	-177.1	0	112.2	Y121 S122 A123 Q128 S129	Y121-K125 HydrophobicContact CD1-CG 4.42Å; Y121-K125 HydrophobicContact CE1-CG 4Å; Y121-K125 VanDerWaalsContact CZ-CE 3.47Å; Y121-K125 WeakPolarHBondContact O-CG 3.35Å; Y121-K125 PolarHBondContact O-N 2.87Å; Y121-K125 WeakPolarHBondContact OH-CE 3.38Å; S122-K125 PolarHBondContact O-N 3.2Å; A123-K125 VanDerWaalsContact C-N 3.32Å; A123-K125 PolarHBondContact O-N 3.03Å; K125-Q128 PolarHBondContact O-N 2.98Å; K125-S129 PolarHBondContact O-N 3.08Å; K125-S129 PolarHBondContact O-OG 3.17Å
126	A	98	Very high	95.7	Very high	3 Å²	3	62.3 Å²	62.3	3%	0.025	32%	0.318	C	S	.	.	H	α-helix	trans	-61.8	-45.4	174.5	0	0	0	0	0	112.3	F62 V66 S107 S122 A123 Q128 S129 I130	F62-A126 HydrophobicContact CB-CB 4.33Å; F62-A126 HydrophobicContact CD1-CB 3.92Å; V66-A126 HydrophobicContact CG2-CB 3.67Å; S107-A126 WeakPolarHBondContact OG-CB 3.47Å; S122-A126 PolarHBondContact O-N 3.3Å; A123-A126 PolarHBondContact O-N 3.14Å; A126-Q128 VanDerWaalsContact C-N 3.29Å; A126-Q128 PolarHBondContact O-N 2.99Å; A126-S129 PolarHBondContact O-N 2.88Å; A126-I130 WeakPolarHBondContact O-CB 3.27Å; A126-I130 WeakPolarHBondContact O-CG1 3.5Å; A126-I130 PolarHBondContact O-N 3.38Å
127	C	96.4	Very high	95.6	Very high	29 Å²	29	59.3 Å²	59.3	20%	0.196	30%	0.302	C	S	.	.	H	α-helix	trans	-56.4	-42.8	173.7	-65.9	0	0	0	0	112	S107 D108 A123 L124 G131	S107-C127 VanDerWaalsContact C-SG 3.53Å; S107-C127 WeakPolarHBondContact CB-SG 3.42Å; D108-C127 PolarHBondContact N-SG 2.81Å; D108-C127 VanDerWaalsContact N-SG 3.39Å; A123-C127 PolarHBondContact O-N 3.25Å; A123-C127 PolarHBondContact O-SG 3.31Å; L124-C127 PolarHBondContact O-N 3.14Å; C127-G131 PolarHBondContact O-N 3.1Å
128	Q	94.2	Very high	95.4	Very high	100 Å²	100	53.9 Å²	53.9	47%	0.467	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-47.3	178.2	-72.5	174.8	-15.4	0	0	112	L124 K125 A126 G131 Q132	L124-Q128 HydrophobicContact CD1-CG 4.41Å; L124-Q128 WeakPolarHBondContact O-CG 3.21Å; L124-Q128 PolarHBondContact O-N 2.91Å; K125-Q128 PolarHBondContact O-N 2.98Å; A126-Q128 VanDerWaalsContact C-N 3.29Å; A126-Q128 PolarHBondContact O-N 2.99Å; Q128-G131 PolarHBondContact O-N 3.1Å; Q128-Q132 PolarHBondContact O-N 3Å
129	S	97.1	Very high	95	Very high	50 Å²	50	54.1 Å²	54.1	35%	0.35	28%	0.275	S	S	.	.	H	α-helix	trans	-66.4	-43.2	179.6	-64.6	0	0	0	0	112.7	K125 A126 Q132 L133	K125-S129 PolarHBondContact O-N 3.08Å; K125-S129 PolarHBondContact O-OG 3.17Å; A126-S129 PolarHBondContact O-N 2.88Å; S129-Q132 PolarHBondContact O-N 3.31Å; S129-L133 PolarHBondContact O-N 2.88Å
130	I	96.8	Very high	94.7	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-67.2	-38.7	175.9	-62.4	-60.9	0	0	0	110.8	V66 T69 L100 V103 A104 A126 Q132 L133 V134	V66-I130 HydrophobicContact CG1-CD1 4.42Å; V66-I130 HydrophobicContact CG2-CD1 4.36Å; V66-I130 HydrophobicContact CG2-CG1 4.33Å; T69-I130 HydrophobicContact CG2-CD1 3.63Å; L100-I130 HydrophobicContact CD2-CG2 4.17Å; V103-I130 HydrophobicContact CB-CD1 4.14Å; V103-I130 HydrophobicContact CB-CG1 4.02Å; V103-I130 HydrophobicContact CG1-CD1 4.08Å; V103-I130 HydrophobicContact CG1-CG1 3.73Å; A104-I130 HydrophobicContact CB-CG2 3.87Å; A126-I130 WeakPolarHBondContact O-CB 3.27Å; A126-I130 WeakPolarHBondContact O-CG1 3.5Å; A126-I130 PolarHBondContact O-N 3.38Å; I130-Q132 VanDerWaalsContact C-N 3.29Å; I130-Q132 PolarHBondContact O-N 3.39Å; I130-L133 PolarHBondContact O-N 2.83Å; I130-L133 VanDerWaalsContact O-N 3.14Å; I130-V134 HydrophobicContact CG2-CG2 4.24Å; I130-V134 VanDerWaalsContact O-CG2 3.32Å; I130-V134 WeakPolarHBondContact O-CG2 3.36Å; I130-V134 PolarHBondContact O-N 3.4Å
131	G	92.5	Very high	94.5	Very high	41 Å²	41	54 Å²	54	42%	0.423	29%	0.287	S	S	.	.	H	α-helix	trans	-58.1	-40.8	173.3	0	0	0	0	0	112.7	C127 Q128 V134 E135	C127-G131 PolarHBondContact O-N 3.1Å; Q128-G131 PolarHBondContact O-N 3.1Å; G131-V134 PolarHBondContact O-N 3.49Å; G131-E135 PolarHBondContact O-N 3.43Å; G131-E135 VanDerWaalsContact O-N 3.1Å
132	Q	92.3	Very high	94.4	Very high	144 Å²	144	54.6 Å²	54.6	67%	0.673	29%	0.293	S	S	*	.	H	α-helix	trans	-64.2	-41.9	173.8	-176	179.8	-0.9	0	0	112.3	Q128 S129 I130 E135 E136	Q128-Q132 PolarHBondContact O-N 3Å; S129-Q132 PolarHBondContact O-N 3.31Å; I130-Q132 VanDerWaalsContact C-N 3.29Å; I130-Q132 PolarHBondContact O-N 3.39Å; Q132-E135 PolarHBondContact O-N 2.85Å; Q132-E136 PolarHBondContact O-N 3.5Å
133	L	95.4	Very high	94.3	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-41.9	176.5	178.9	62.5	0	0	0	111.8	T69 I70 C73 L100 S129 I130 E135 E136 L137	T69-L133 HydrophobicContact CG2-CD2 4.48Å; I70-L133 HydrophobicContact CG1-CD2 3.89Å; C73-L133 HydrophobicContact CB-CD2 4.13Å; L100-L133 HydrophobicContact CD2-CB 4.49Å; L100-L133 HydrophobicContact CD2-CD2 3.5Å; L100-L133 HydrophobicContact CD2-CG 3.87Å; S129-L133 PolarHBondContact O-N 2.88Å; I130-L133 PolarHBondContact O-N 2.83Å; I130-L133 VanDerWaalsContact O-N 3.14Å; L133-E135 VanDerWaalsContact C-N 3.29Å; L133-E135 PolarHBondContact O-N 3.38Å; L133-E136 PolarHBondContact O-N 2.97Å; L133-L137 HydrophobicContact CD1-CD1 4.2Å; L133-L137 HydrophobicContact CD1-CG 4.17Å; L133-L137 HydrophobicContact CG-CD1 3.98Å; L133-L137 HydrophobicContact CG-CG 4.36Å; L133-L137 WeakPolarHBondContact O-CB 3.49Å; L133-L137 VanDerWaalsContact O-CG 3.22Å; L133-L137 WeakPolarHBondContact O-CG 3.47Å; L133-L137 PolarHBondContact O-N 3.44Å
134	V	93.6	Very high	94.1	Very high	48 Å²	48	54.8 Å²	54.8	29%	0.291	29%	0.29	S	S	.	.	H	α-helix	trans	-58.1	-44.2	175	170.6	0	0	0	0	110.5	L100 I130 G131 L137 N138	L100-V134 HydrophobicContact CD1-CG2 4.15Å; L100-V134 HydrophobicContact CD2-CG2 4.17Å; I130-V134 HydrophobicContact CG2-CG2 4.24Å; I130-V134 VanDerWaalsContact O-CG2 3.32Å; I130-V134 WeakPolarHBondContact O-CG2 3.36Å; I130-V134 PolarHBondContact O-N 3.4Å; G131-V134 PolarHBondContact O-N 3.49Å; V134-L137 PolarHBondContact O-N 2.92Å; V134-N138 WeakPolarHBondContact CG1-ND2 3.48Å; V134-N138 VanDerWaalsContact O-CB 3.28Å; V134-N138 WeakPolarHBondContact O-CB 3.39Å; V134-N138 VanDerWaalsContact O-CG 3.22Å; V134-N138 PolarHBondContact O-N 2.9Å
135	E	88	Confident	94	Very high	92 Å²	92	56.1 Å²	56.1	43%	0.43	30%	0.297	S	S	.	.	H	α-helix	trans	-62.7	-43.7	177	-173.6	60.6	-148	0	0	112.1	G131 Q132 L133 L137 N138 T139	G131-E135 PolarHBondContact O-N 3.43Å; G131-E135 VanDerWaalsContact O-N 3.1Å; Q132-E135 PolarHBondContact O-N 2.85Å; L133-E135 VanDerWaalsContact C-N 3.29Å; L133-E135 PolarHBondContact O-N 3.38Å; E135-L137 VanDerWaalsContact C-N 3.33Å; E135-L137 PolarHBondContact O-N 3.34Å; E135-N138 PolarHBondContact O-N 2.9Å; E135-T139 WeakPolarHBondContact O-CB 3.3Å; E135-T139 WeakPolarHBondContact O-CG2 3.31Å; E135-T139 PolarHBondContact O-N 2.87Å; E135-T139 PolarHBondContact O-OG1 3.13Å; E135-T139 WeakPolarHBondContact OE1-CG2 3.27Å
136	E	91.7	Very high	94	Very high	102 Å²	102	52 Å²	52	48%	0.477	28%	0.28	S	S	.	.	H	α-helix	trans	-59.6	-44.1	175.3	-177.8	-178.6	155.9	0	0	111.8	Q132 L133 T139 N140	Q132-E136 PolarHBondContact O-N 3.5Å; L133-E136 PolarHBondContact O-N 2.97Å; E136-T139 PolarHBondContact O-N 3.37Å; E136-T139 PolarHBondContact O-OG1 3.36Å; E136-N140 PolarHBondContact O-N 3.09Å; E136-N140 VanDerWaalsContact O-N 3.16Å
137	L	94.3	Very high	93.9	Very high	8 Å²	8	51.9 Å²	51.9	4%	0.042	28%	0.279	C	S	.	.	H	α-helix	trans	-68.5	-43.6	179.7	-68.5	175.3	0	0	0	111.8	C73 C77 L96 L100 L133 V134 E135 T139 N140 F180	C73-L137 HydrophobicContact CB-CD1 4.38Å; C77-L137 WeakPolarHBondContact SG-CD2 3.37Å; L96-L137 HydrophobicContact CD2-CD1 4.49Å; L100-L137 HydrophobicContact CD1-CD1 3.65Å; L100-L137 HydrophobicContact CD2-CD1 4.06Å; L100-L137 HydrophobicContact CG-CD1 4.33Å; L133-L137 HydrophobicContact CD1-CD1 4.2Å; L133-L137 HydrophobicContact CD1-CG 4.17Å; L133-L137 HydrophobicContact CG-CD1 3.98Å; L133-L137 HydrophobicContact CG-CG 4.36Å; L133-L137 WeakPolarHBondContact O-CB 3.49Å; L133-L137 VanDerWaalsContact O-CG 3.22Å; L133-L137 WeakPolarHBondContact O-CG 3.47Å; L133-L137 PolarHBondContact O-N 3.44Å; V134-L137 PolarHBondContact O-N 2.92Å; E135-L137 VanDerWaalsContact C-N 3.33Å; E135-L137 PolarHBondContact O-N 3.34Å; L137-T139 PolarHBondContact O-N 3.41Å; L137-N140 WeakPolarHBondContact O-CB 3.37Å; L137-N140 PolarHBondContact O-N 2.97Å; L137-N140 VanDerWaalsContact O-N 3.1Å; L137-F180 WeakPolarHBondContact O-CE1 3.46Å
138	N	90.5	Very high	93.8	Very high	39 Å²	39	53 Å²	53	21%	0.209	29%	0.285	C	S	.	.	H	α-helix	trans	-66.9	-25.5	179.1	-75.3	-10.1	0	0	0	112.8	V134 E135 F180 S183 V185	V134-N138 WeakPolarHBondContact CG1-ND2 3.48Å; V134-N138 VanDerWaalsContact O-CB 3.28Å; V134-N138 WeakPolarHBondContact O-CB 3.39Å; V134-N138 VanDerWaalsContact O-CG 3.22Å; V134-N138 PolarHBondContact O-N 2.9Å; E135-N138 PolarHBondContact O-N 2.9Å; N138-F180 WeakPolarHBondContact O-CD1 3.49Å; N138-S183 WeakPolarHBondContact CB-OG 3.41Å; N138-V185 WeakPolarHBondContact O-CB 3.23Å
139	T	88.9	Confident	93.9	Very high	49 Å²	49	51.1 Å²	51.1	30%	0.301	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	4.4	175.1	57.6	0	0	0	0	113.2	E135 E136 L137 S141 V185	E135-T139 WeakPolarHBondContact O-CB 3.3Å; E135-T139 WeakPolarHBondContact O-CG2 3.31Å; E135-T139 PolarHBondContact O-N 2.87Å; E135-T139 PolarHBondContact O-OG1 3.13Å; E135-T139 WeakPolarHBondContact OE1-CG2 3.27Å; E136-T139 PolarHBondContact O-N 3.37Å; E136-T139 PolarHBondContact O-OG1 3.36Å; L137-T139 PolarHBondContact O-N 3.41Å; T139-S141 PolarHBondContact O-N 3.23Å; T139-V185 WeakPolarHBondContact O-CG2 3.41Å
140	N	92.6	Very high	93.8	Very high	46 Å²	46	48.8 Å²	48.8	25%	0.246	26%	0.257	C	S	.	.			trans	-74.4	98.2	178.4	-170.1	-39.9	0	0	0	111.4	E136 L137 K142 L143 Y144	E136-N140 PolarHBondContact O-N 3.09Å; E136-N140 VanDerWaalsContact O-N 3.16Å; L137-N140 WeakPolarHBondContact O-CB 3.37Å; L137-N140 PolarHBondContact O-N 2.97Å; L137-N140 VanDerWaalsContact O-N 3.1Å; N140-K142 PolarHBondContact O-N 2.82Å; N140-K142 WeakPolarHBondContact OD1-CB 3.48Å; N140-K142 PolarHBondContact OD1-N 3.41Å; N140-L143 HydrophobicContact CB-CB 4Å; N140-L143 PolarHBondContact O-N 2.98Å; N140-L143 VanDerWaalsContact O-N 3.09Å; N140-L143 PolarHBondContact OD1-N 3.05Å; N140-L143 VanDerWaalsContact OD1-N 3.16Å; N140-Y144 PolarHBondContact O-N 2.97Å
141	S	92.6	Very high	93.6	Very high	64 Å²	64	50.8 Å²	50.8	45%	0.448	27%	0.268	S	S	.	.	H	α-helix	trans	-58.3	-30.1	-179.5	61.6	0	0	0	0	114.3	T139 N145	T139-S141 PolarHBondContact O-N 3.23Å; S141-N145 WeakPolarHBondContact O-CB 3.39Å; S141-N145 PolarHBondContact O-N 2.83Å; S141-N145 PolarHBondContact O-ND2 3.33Å
142	K	95.4	Very high	93.5	Very high	147 Å²	147	50.4 Å²	50.4	64%	0.639	26%	0.259	S	S	*	.	H	α-helix	trans	-69.4	-42.9	176.7	-63.5	179.4	-178.2	173.2	0	111.1	T81 N140 A146	T81-K142 HydrophobicContact CG2-CB 3.71Å; N140-K142 PolarHBondContact O-N 2.82Å; N140-K142 WeakPolarHBondContact OD1-CB 3.48Å; N140-K142 PolarHBondContact OD1-N 3.41Å; K142-A146 WeakPolarHBondContact O-CB 3.48Å; K142-A146 PolarHBondContact O-N 3.49Å
143	L	96.2	Very high	93	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.01	27%	0.268	C	S	.	.	H	α-helix	trans	-66.2	-46.1	178.2	-171.1	61.8	0	0	0	110.8	A80 L93 L96 N140 A146 S147 F180	A80-L143 HydrophobicContact CB-CD1 3.41Å; A80-L143 VanDerWaalsContact CB-CD1 3.41Å; L93-L143 HydrophobicContact CD2-CD1 3.82Å; L93-L143 HydrophobicContact CD2-CD2 4.13Å; L93-L143 HydrophobicContact CD2-CG 4.01Å; L96-L143 HydrophobicContact CD1-CD1 4.38Å; L96-L143 HydrophobicContact CD1-CD2 4.08Å; N140-L143 HydrophobicContact CB-CB 4Å; N140-L143 PolarHBondContact O-N 2.98Å; N140-L143 VanDerWaalsContact O-N 3.09Å; N140-L143 PolarHBondContact OD1-N 3.05Å; N140-L143 VanDerWaalsContact OD1-N 3.16Å; L143-A146 PolarHBondContact O-N 2.85Å; L143-S147 WeakPolarHBondContact O-CB 3.38Å; L143-S147 PolarHBondContact O-N 2.92Å; L143-S147 PolarHBondContact O-OG 2.74Å; L143-F180 HydrophobicContact CB-CZ 4.44Å; L143-F180 HydrophobicContact CD2-CE1 3.84Å; L143-F180 HydrophobicContact CD2-CZ 3.56Å; L143-F180 HydrophobicContact CG-CE1 4.14Å; L143-F180 HydrophobicContact CG-CE2 4.47Å; L143-F180 HydrophobicContact CG-CZ 3.63Å
144	Y	95.7	Very high	92.6	Very high	27 Å²	27	51.2 Å²	51.2	11%	0.106	28%	0.28	C	S	.	.	H	α-helix	trans	-57.7	-52.1	173.6	170	-108.3	0	0	0	112.1	N140 A146 S147 V148 V177 F180 E181 V185 Q186	N140-Y144 PolarHBondContact O-N 2.97Å; Y144-A146 VanDerWaalsContact C-N 3.29Å; Y144-A146 PolarHBondContact O-N 3.04Å; Y144-S147 WeakPolarHBondContact O-CA 3.47Å; Y144-S147 WeakPolarHBondContact O-CB 3.44Å; Y144-S147 PolarHBondContact O-N 2.82Å; Y144-V148 HydrophobicContact CD1-CG2 4.47Å; Y144-V148 HydrophobicContact CD2-CG2 3.91Å; Y144-V148 HydrophobicContact CE1-CG2 3.96Å; Y144-V148 HydrophobicContact CE2-CG2 3.34Å; Y144-V148 HydrophobicContact CG-CG2 4.44Å; Y144-V148 PolarHBondContact O-N 3.12Å; Y144-V177 HydrophobicContact CE2-CG1 4.46Å; Y144-F180 HydrophobicContact CD2-CB 3.66Å; Y144-F180 HydrophobicContact CD2-CD2 4.42Å; Y144-F180 HydrophobicContact CD2-CG 4.16Å; Y144-F180 HydrophobicContact CE2-CB 4.37Å; Y144-E181 HydrophobicContact CE2-CG 3.87Å; Y144-V185 HydrophobicContact CD1-CG1 4.02Å; Y144-V185 HydrophobicContact CD1-CG2 4.45Å; Y144-V185 HydrophobicContact CD2-CG1 3.57Å; Y144-V185 HydrophobicContact CE2-CG1 4.15Å; Y144-V185 HydrophobicContact CG-CG1 3.48Å; Y144-V185 VanDerWaalsContact CG-CG1 3.48Å; Y144-V185 HydrophobicContact CG-CG2 4.26Å; Y144-Q186 HydrophobicContact CE1-CB 3.8Å; Y144-Q186 HydrophobicContact CE2-CB 4.2Å; Y144-Q186 VanDerWaalsContact CZ-CB 3.44Å; Y144-Q186 WeakPolarHBondContact OH-CB 3.44Å
145	N	95.1	Very high	92	Very high	92 Å²	92	54 Å²	54	49%	0.492	29%	0.29	S	S	.	.	H	α-helix	trans	-61.3	-37.1	-179.5	-74.3	-31.1	0	0	0	112.3	S141 S147 R149	S141-N145 WeakPolarHBondContact O-CB 3.39Å; S141-N145 PolarHBondContact O-N 2.83Å; S141-N145 PolarHBondContact O-ND2 3.33Å; N145-S147 VanDerWaalsContact C-N 3.32Å; N145-R149 WeakPolarHBondContact O-CB 3.45Å; N145-R149 PolarHBondContact O-N 2.88Å
146	A	96	Very high	91.6	Very high	2 Å²	2	55.9 Å²	55.9	2%	0.017	31%	0.308	C	S	.	.	H	α-helix	trans	-65	-37.9	173.9	0	0	0	0	0	111.7	I89 K142 L143 Y144 A150	I89-A146 VanDerWaalsContact CD1-C 3.46Å; I89-A146 HydrophobicContact CD1-CB 3.51Å; K142-A146 WeakPolarHBondContact O-CB 3.48Å; K142-A146 PolarHBondContact O-N 3.49Å; L143-A146 PolarHBondContact O-N 2.85Å; Y144-A146 VanDerWaalsContact C-N 3.29Å; Y144-A146 PolarHBondContact O-N 3.04Å; A146-A150 WeakPolarHBondContact O-CB 3.25Å; A146-A150 PolarHBondContact O-N 3.02Å; A146-A150 VanDerWaalsContact O-N 3.08Å
147	S	96.7	Very high	91.3	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-68.6	-48.5	178.7	-54.7	0	0	0	0	111.7	L143 Y144 N145 R149 A150 N151	L143-S147 WeakPolarHBondContact O-CB 3.38Å; L143-S147 PolarHBondContact O-N 2.92Å; L143-S147 PolarHBondContact O-OG 2.74Å; Y144-S147 WeakPolarHBondContact O-CA 3.47Å; Y144-S147 WeakPolarHBondContact O-CB 3.44Å; Y144-S147 PolarHBondContact O-N 2.82Å; N145-S147 VanDerWaalsContact C-N 3.32Å; S147-R149 VanDerWaalsContact C-N 3.34Å; S147-R149 PolarHBondContact O-N 2.85Å; S147-A150 PolarHBondContact O-N 2.87Å; S147-N151 WeakPolarHBondContact O-CB 3.28Å; S147-N151 PolarHBondContact O-N 2.97Å
148	V	95.1	Very high	91.1	Very high	53 Å²	53	56.4 Å²	56.4	32%	0.321	31%	0.313	S	S	.	.	H	α-helix	trans	-61.3	-42.4	175.3	172.7	0	0	0	0	111.5	Y144 A150 N151 S152 V177	Y144-V148 HydrophobicContact CD1-CG2 4.47Å; Y144-V148 HydrophobicContact CD2-CG2 3.91Å; Y144-V148 HydrophobicContact CE1-CG2 3.96Å; Y144-V148 HydrophobicContact CE2-CG2 3.34Å; Y144-V148 HydrophobicContact CG-CG2 4.44Å; Y144-V148 PolarHBondContact O-N 3.12Å; V148-A150 VanDerWaalsContact C-N 3.33Å; V148-A150 PolarHBondContact O-N 3.06Å; V148-N151 CarbonylContact O-C 3.47Å; V148-N151 PolarHBondContact O-N 3.06Å; V148-N151 VanDerWaalsContact O-N 3.13Å; V148-S152 PolarHBondContact O-N 3.36Å; V148-V177 HydrophobicContact CG2-CG1 4.33Å
149	R	94.9	Very high	91.2	Very high	60 Å²	60	55.7 Å²	55.7	23%	0.226	31%	0.309	C	S	.	.	H	α-helix	trans	-57.8	-47	175.7	-177.2	177.4	71.4	-136.6	-1.3	111.3	N145 S147 N151 S152 D157	N145-R149 WeakPolarHBondContact O-CB 3.45Å; N145-R149 PolarHBondContact O-N 2.88Å; S147-R149 VanDerWaalsContact C-N 3.34Å; S147-R149 PolarHBondContact O-N 2.85Å; R149-N151 VanDerWaalsContact C-N 3.31Å; R149-N151 PolarHBondContact O-N 2.97Å; R149-S152 WeakPolarHBondContact O-CB 3.22Å; R149-S152 PolarHBondContact O-N 2.92Å; R149-S152 PolarHBondContact O-OG 2.94Å; R149-D157 WeakPolarHBondContact CD-O 3.37Å; R149-D157 HydrophobicContact CG-CB 4.22Å; R149-D157 WeakPolarHBondContact CG-O 3.4Å
150	A	95.6	Very high	91.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64.3	-35.7	176	0	0	0	0	0	112.3	I89 A146 S147 V148 S152 K158 D162 M165 L173	I89-A150 HydrophobicContact CB-CB 4.48Å; I89-A150 HydrophobicContact CG2-CB 3.37Å; A146-A150 WeakPolarHBondContact O-CB 3.25Å; A146-A150 PolarHBondContact O-N 3.02Å; A146-A150 VanDerWaalsContact O-N 3.08Å; S147-A150 PolarHBondContact O-N 2.87Å; V148-A150 VanDerWaalsContact C-N 3.33Å; V148-A150 PolarHBondContact O-N 3.06Å; A150-S152 VanDerWaalsContact C-N 3.35Å; A150-K158 WeakPolarHBondContact O-CD 3.31Å; A150-K158 WeakPolarHBondContact O-CE 3.06Å; A150-K158 PolarHBondContact O-NZ 3.34Å; A150-D162 HydrophobicContact CB-CB 4Å; A150-D162 WeakPolarHBondContact CB-OD2 3.37Å; A150-M165 HydrophobicContact CB-CE 4.24Å; A150-M165 WeakPolarHBondContact O-CE 3.49Å; A150-L173 HydrophobicContact CB-CD2 3.92Å
151	N	92.2	Very high	91.5	Very high	44 Å²	44	58.4 Å²	58.4	24%	0.235	32%	0.321	C	S	.	.	H	α-helix	trans	-79.2	-16	-179.2	-155	34.6	0	0	0	114.1	S147 V148 R149 L173 D174 V177	S147-N151 WeakPolarHBondContact O-CB 3.28Å; S147-N151 PolarHBondContact O-N 2.97Å; V148-N151 CarbonylContact O-C 3.47Å; V148-N151 PolarHBondContact O-N 3.06Å; V148-N151 VanDerWaalsContact O-N 3.13Å; R149-N151 VanDerWaalsContact C-N 3.31Å; R149-N151 PolarHBondContact O-N 2.97Å; N151-L173 HydrophobicContact CB-CD2 3.72Å; N151-L173 HydrophobicContact CB-CG 4.1Å; N151-D174 PolarHBondContact ND2-OD1 3.41Å; N151-D174 PolarHBondContact OD1-OD1 3.25Å; N151-V177 HydrophobicContact CB-CG2 4.42Å
152	S	89.6	Confident	91.6	Very high	33 Å²	33	55.4 Å²	55.4	23%	0.231	30%	0.3	C	S	.	.	S	Bend	trans	-55	151.8	-176.9	70.2	0	0	0	0	113.4	V148 R149 A150 S154 K158	V148-S152 PolarHBondContact O-N 3.36Å; R149-S152 WeakPolarHBondContact O-CB 3.22Å; R149-S152 PolarHBondContact O-N 2.92Å; R149-S152 PolarHBondContact O-OG 2.94Å; A150-S152 VanDerWaalsContact C-N 3.35Å; S152-S154 VanDerWaalsContact C-N 3.3Å; S152-S154 PolarHBondContact OG-O 3.41Å; S152-K158 WeakPolarHBondContact O-CE 3.3Å; S152-K158 PolarHBondContact O-NZ 3.44Å
153	S	83.7	Confident	91.5	Very high	125 Å²	125	51.1 Å²	51.1	87%	0.874	29%	0.286	S	S	*	.	S	Bend	trans	-73.1	-25.7	174	55.2	0	0	0	0	112.4	Q155	S153-Q155 PolarHBondContact O-N 3.32Å
154	S	85.6	Confident	91.3	Very high	42 Å²	42	57.1 Å²	57.1	29%	0.294	31%	0.314	S	S	.	.			trans	-68	124.3	175.3	177.6	0	0	0	0	110.8	S152 V156 D157 K158	S152-S154 VanDerWaalsContact C-N 3.3Å; S152-S154 PolarHBondContact OG-O 3.41Å; S154-V156 VanDerWaalsContact C-N 3.33Å; S154-V156 PolarHBondContact OG-N 3.16Å; S154-D157 WeakPolarHBondContact CB-OD2 3.23Å; S154-D157 PolarHBondContact OG-OD2 3.3Å; S154-K158 WeakPolarHBondContact O-CE 3.49Å
155	Q	81.1	Confident	91.3	Very high	107 Å²	107	56.5 Å²	56.5	50%	0.5	31%	0.312	S	S	.	.	S	Bend	trans	-79.5	-18.4	172.7	-65.9	-64.7	-28.9	0	0	112.6	S153 D157 K158	S153-Q155 PolarHBondContact O-N 3.32Å; Q155-D157 VanDerWaalsContact C-N 3.3Å; Q155-D157 PolarHBondContact O-N 3.01Å; Q155-K158 PolarHBondContact O-N 3.43Å
156	V	81	Confident	91.2	Very high	132 Å²	132	55 Å²	55	80%	0.8	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-32.2	-173.1	-179.3	0	0	0	0	111.5	S154	S154-V156 VanDerWaalsContact C-N 3.33Å; S154-V156 PolarHBondContact OG-N 3.16Å
157	D	83.6	Confident	91.2	Very high	95 Å²	95	61 Å²	61	51%	0.508	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-9.5	-175.2	-54	-60.9	0	0	0	113	R149 S154 Q155	R149-D157 WeakPolarHBondContact CD-O 3.37Å; R149-D157 HydrophobicContact CG-CB 4.22Å; R149-D157 WeakPolarHBondContact CG-O 3.4Å; S154-D157 WeakPolarHBondContact CB-OD2 3.23Å; S154-D157 PolarHBondContact OG-OD2 3.3Å; Q155-D157 VanDerWaalsContact C-N 3.3Å; Q155-D157 PolarHBondContact O-N 3.01Å
158	K	90.5	Very high	91.1	Very high	25 Å²	25	61.3 Å²	61.3	11%	0.109	34%	0.338	C	S	.	.	S	Bend	trans	-76.7	145.2	-176.7	-67.3	-169.7	-169.1	-152.7	0	111.8	A150 S152 S154 Q155 D162 T163	A150-K158 WeakPolarHBondContact O-CD 3.31Å; A150-K158 WeakPolarHBondContact O-CE 3.06Å; A150-K158 PolarHBondContact O-NZ 3.34Å; S152-K158 WeakPolarHBondContact O-CE 3.3Å; S152-K158 PolarHBondContact O-NZ 3.44Å; S154-K158 WeakPolarHBondContact O-CE 3.49Å; Q155-K158 PolarHBondContact O-N 3.43Å; K158-D162 HydrophobicContact CB-CB 4.41Å; K158-D162 HydrophobicContact CD-CB 4.41Å; K158-T163 HydrophobicContact CB-CG2 4.02Å
159	L	93	Very high	91.2	Very high	25 Å²	25	58.8 Å²	58.8	13%	0.131	32%	0.322	C	S	.	.			trans	-72.5	148.5	165.1	-62.8	-174.4	0	0	0	109.4	R85 P161 D162 T163	R85-L159 HydrophobicContact CG-CD1 4.11Å; L159-P161 VanDerWaalsContact C-CD 3.4Å; L159-P161 VanDerWaalsContact C-N 3.3Å; L159-P161 VanDerWaalsContact O-N 3.14Å; L159-D162 PolarHBondContact O-N 3.27Å; L159-T163 PolarHBondContact O-N 2.91Å
160	I	93	Very high	91.3	Very high	132 Å²	132	59.8 Å²	59.8	68%	0.677	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-46.3	-47.3	-175.4	-61.2	170.2	0	0	0	112.5	D162 T163 H164	I160-D162 VanDerWaalsContact C-N 3.28Å; I160-D162 PolarHBondContact O-N 2.85Å; I160-T163 WeakPolarHBondContact O-CB 3.46Å; I160-T163 PolarHBondContact O-N 3.44Å; I160-T163 PolarHBondContact O-OG1 3.25Å; I160-H164 PolarHBondContact O-CD2 2.92Å
161	P	94.4	Very high	91.2	Very high	19 Å²	19	61.5 Å²	61.5	12%	0.123	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-59.2	-35.9	-179.7	-23.7	34.7	0	0	0	113.9	R85 V86 R87 K88 L159 T163 H164	R85-P161 WeakPolarHBondContact O-CG 3.33Å; V86-P161 WeakPolarHBondContact O-CG 3.36Å; R87-P161 WeakPolarHBondContact O-CB 3.21Å; K88-P161 HydrophobicContact CG-CB 4.47Å; K88-P161 WeakPolarHBondContact CG-O 3.37Å; L159-P161 VanDerWaalsContact C-CD 3.4Å; L159-P161 VanDerWaalsContact C-N 3.3Å; L159-P161 VanDerWaalsContact O-N 3.14Å; P161-T163 VanDerWaalsContact C-N 3.3Å; P161-T163 PolarHBondContact O-N 2.99Å; P161-H164 PolarHBondContact O-N 2.96Å
162	D	95.8	Very high	91.5	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.011	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-76.3	-19.1	-176.3	-49.6	-37.4	0	0	0	112.8	R85 I89 A150 K158 L159 I160 H164 M165	R85-D162 IonicContact CZ-OD1 3.77Å; R85-D162 IonicContact CZ-OD2 3.33Å; R85-D162 IonicContact NH1-OD1 2.68Å; R85-D162 PolarHBondContact NH1-OD1 2.94Å; R85-D162 IonicContact NH1-OD2 2.76Å; R85-D162 PolarHBondContact NH1-OD2 3.49Å; R85-D162 IonicContact NH2-OD1 2.63Å; R85-D162 PolarHBondContact NH2-OD1 3.45Å; R85-D162 VanDerWaalsContact NH2-OD1 3.07Å; R85-D162 IonicContact NH2-OD2 3.07Å; R85-D162 PolarHBondContact NH2-OD2 3.45Å; I89-D162 PolarHBondContact N-OD1 3.16Å; I89-D162 VanDerWaalsContact N-OD1 3.12Å; A150-D162 HydrophobicContact CB-CB 4Å; A150-D162 WeakPolarHBondContact CB-OD2 3.37Å; K158-D162 HydrophobicContact CB-CB 4.41Å; K158-D162 HydrophobicContact CD-CB 4.41Å; L159-D162 PolarHBondContact O-N 3.27Å; I160-D162 VanDerWaalsContact C-N 3.28Å; I160-D162 PolarHBondContact O-N 2.85Å; D162-H164 PolarHBondContact O-N 3.26Å; D162-M165 HydrophobicContact CB-CE 3.86Å; D162-M165 HydrophobicContact CB-SD 4.38Å; D162-M165 WeakPolarHBondContact O-CB 3.34Å; D162-M165 WeakPolarHBondContact O-CE 3.27Å; D162-M165 WeakPolarHBondContact O-CG 3.5Å; D162-M165 PolarHBondContact O-N 3.33Å
163	T	93.2	Very high	91.9	Very high	56 Å²	56	57.8 Å²	57.8	34%	0.344	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-64.3	-18.6	173.3	70.8	0	0	0	0	111.9	K158 L159 I160 P161	K158-T163 HydrophobicContact CB-CG2 4.02Å; L159-T163 PolarHBondContact O-N 2.91Å; I160-T163 WeakPolarHBondContact O-CB 3.46Å; I160-T163 PolarHBondContact O-N 3.44Å; I160-T163 PolarHBondContact O-OG1 3.25Å; P161-T163 VanDerWaalsContact C-N 3.3Å; P161-T163 PolarHBondContact O-N 2.99Å
164	H	91.7	Very high	92.4	Very high	129 Å²	129	54.6 Å²	54.6	60%	0.597	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-97.5	16.1	178.7	-57	-59	0	0	0	113.8	K88 I160 P161 D162	K88-H164 VanDerWaalsContact CE-O 3.25Å; K88-H164 WeakPolarHBondContact CE-O 3.41Å; K88-H164 PolarHBondContact NZ-O 3.21Å; I160-H164 PolarHBondContact O-CD2 2.92Å; P161-H164 PolarHBondContact O-N 2.96Å; D162-H164 PolarHBondContact O-N 3.26Å
165	M	94.6	Very high	92.9	Very high	13 Å²	13	53.9 Å²	53.9	6%	0.064	28%	0.279	C	S	.	.			trans	-72.6	128.4	176.2	-72.4	-169.7	-58.6	0	0	112.1	K88 V90 A150 D162 D169 K170 L173	K88-M165 HydrophobicContact CD-CG 4.19Å; K88-M165 HydrophobicContact CG-CG 4.39Å; V90-M165 HydrophobicContact CG1-SD 4.27Å; A150-M165 HydrophobicContact CB-CE 4.24Å; A150-M165 WeakPolarHBondContact O-CE 3.49Å; D162-M165 HydrophobicContact CB-CE 3.86Å; D162-M165 HydrophobicContact CB-SD 4.38Å; D162-M165 WeakPolarHBondContact O-CB 3.34Å; D162-M165 WeakPolarHBondContact O-CE 3.27Å; D162-M165 WeakPolarHBondContact O-CG 3.5Å; D162-M165 PolarHBondContact O-N 3.33Å; M165-D169 WeakPolarHBondContact CA-OD2 3.37Å; M165-D169 HydrophobicContact CB-CB 3.67Å; M165-D169 HydrophobicContact CG-CB 3.79Å; M165-D169 HydrophobicContact SD-CB 4.26Å; M165-K170 HydrophobicContact CB-CG 4.32Å; M165-K170 WeakPolarHBondContact O-CE 3.15Å; M165-L173 HydrophobicContact CE-CD2 3.81Å; M165-L173 HydrophobicContact SD-CD2 3.89Å
166	D	94.4	Very high	93.6	Very high	62 Å²	62	49.6 Å²	49.6	33%	0.332	26%	0.258	S	S	.	.			trans	-87.4	-169.9	171	69.1	19.1	0	0	0	112	V168 D169 K170 R510	D166-V168 PolarHBondContact OD1-N 2.81Å; D166-D169 PolarHBondContact N-OD2 3.44Å; D166-D169 PolarHBondContact O-N 3.16Å; D166-D169 VanDerWaalsContact OD1-CG 3.26Å; D166-D169 PolarHBondContact OD1-N 3.41Å; D166-K170 VanDerWaalsContact O-CG 3.26Å; D166-K170 WeakPolarHBondContact O-CG 3.31Å; D166-K170 PolarHBondContact O-N 3.02Å; D166-R510 IonicContact OD1-CZ 3.3Å; D166-R510 IonicContact OD1-NH1 3.01Å; D166-R510 PolarHBondContact OD1-NH1 3.46Å; D166-R510 IonicContact OD1-NH2 3.85Å; D166-R510 IonicContact OD2-CZ 3.38Å; D166-R510 VanDerWaalsContact OD2-CZ 3.24Å; D166-R510 IonicContact OD2-NH1 2.88Å; D166-R510 PolarHBondContact OD2-NH1 2.76Å; D166-R510 IonicContact OD2-NH2 2.62Å; D166-R510 PolarHBondContact OD2-NH2 2.91Å
167	N	94.6	Very high	94.3	Very high	126 Å²	126	43.8 Å²	43.8	67%	0.674	22%	0.223	S	C	*	.	H	α-helix	trans	-69.8	-32.1	-177.1	-67	-14.9	0	0	0	113.1	R171	N167-R171 WeakPolarHBondContact O-CB 3.25Å; N167-R171 PolarHBondContact O-N 3.19Å
168	V	95.6	Very high	94.6	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.042	20%	0.202	C	C	.	.	H	α-helix	trans	-70.5	-44.5	176.8	175.9	0	0	0	0	109.3	D166 K170 R171 V172 Y511 E698 Y699	D166-V168 PolarHBondContact OD1-N 2.81Å; V168-K170 VanDerWaalsContact C-N 3.33Å; V168-K170 PolarHBondContact O-N 3.09Å; V168-R171 PolarHBondContact O-N 3.41Å; V168-V172 WeakPolarHBondContact O-CG2 3.39Å; V168-V172 PolarHBondContact O-N 3.08Å; V168-Y511 HydrophobicContact CG1-CD2 4.26Å; V168-Y511 HydrophobicContact CG1-CE2 4.3Å; V168-E698 HydrophobicContact CG1-CB 4.3Å; V168-E698 HydrophobicContact CG1-CG 4.06Å; V168-Y699 HydrophobicContact CG2-CE1 4.18Å; V168-Y699 HydrophobicContact CG2-CE2 4.32Å; V168-Y699 WeakPolarHBondContact CG2-OH 3.26Å
169	D	96.8	Very high	94.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.7	-46.8	175.7	-64.1	-28	0	0	0	111.8	K88 V90 M165 D166 L173 R510 Y511	K88-D169 IonicContact NZ-OD2 2.87Å; K88-D169 PolarHBondContact NZ-OD2 3.34Å; V90-D169 HydrophobicContact CG1-CB 4.05Å; M165-D169 WeakPolarHBondContact CA-OD2 3.37Å; M165-D169 HydrophobicContact CB-CB 3.67Å; M165-D169 HydrophobicContact CG-CB 3.79Å; M165-D169 HydrophobicContact SD-CB 4.26Å; D166-D169 PolarHBondContact N-OD2 3.44Å; D166-D169 PolarHBondContact O-N 3.16Å; D166-D169 VanDerWaalsContact OD1-CG 3.26Å; D166-D169 PolarHBondContact OD1-N 3.41Å; D169-L173 VanDerWaalsContact O-CB 3.28Å; D169-L173 WeakPolarHBondContact O-CB 3.48Å; D169-L173 PolarHBondContact O-N 3.47Å; D169-R510 VanDerWaalsContact CG-NH1 3.28Å; D169-R510 IonicContact OD1-CZ 3.83Å; D169-R510 IonicContact OD1-NH1 3.15Å; D169-R510 PolarHBondContact OD1-NH1 3.28Å; D169-R510 IonicContact OD2-NH1 2.73Å; D169-R510 PolarHBondContact OD2-NH1 3.01Å; D169-Y511 WeakPolarHBondContact OD1-CE2 3.47Å; D169-Y511 PolarHBondContact OD1-OH 3.2Å
170	K	96.3	Very high	94.5	Very high	81 Å²	81	40.4 Å²	40.4	35%	0.352	21%	0.207	S	C	.	.	H	α-helix	trans	-64.2	-46.4	179.7	-71.2	168.5	-169.3	171.4	0	111.9	M165 D166 V168 V172 L173 D174	M165-K170 HydrophobicContact CB-CG 4.32Å; M165-K170 WeakPolarHBondContact O-CE 3.15Å; D166-K170 VanDerWaalsContact O-CG 3.26Å; D166-K170 WeakPolarHBondContact O-CG 3.31Å; D166-K170 PolarHBondContact O-N 3.02Å; V168-K170 VanDerWaalsContact C-N 3.33Å; V168-K170 PolarHBondContact O-N 3.09Å; K170-V172 PolarHBondContact O-N 3.2Å; K170-L173 CarbonylContact O-C 3.56Å; K170-L173 WeakPolarHBondContact O-CB 3.3Å; K170-L173 PolarHBondContact O-N 2.58Å; K170-D174 VanDerWaalsContact O-CG 3.27Å; K170-D174 PolarHBondContact O-N 3.41Å
171	R	95.5	Very high	94.3	Very high	36 Å²	36	37 Å²	37	14%	0.136	19%	0.188	C	C	.	.	H	α-helix	trans	-62.6	-44.9	179.4	170.6	162.1	166.7	92	0.7	112.3	N167 V168 L173 D174 L175 G697 E698 Y699 P700	N167-R171 WeakPolarHBondContact O-CB 3.25Å; N167-R171 PolarHBondContact O-N 3.19Å; V168-R171 PolarHBondContact O-N 3.41Å; R171-L173 VanDerWaalsContact C-N 3.28Å; R171-L173 PolarHBondContact O-N 3.27Å; R171-D174 WeakPolarHBondContact O-CB 3.47Å; R171-D174 PolarHBondContact O-N 3.04Å; R171-L175 WeakPolarHBondContact O-CG 3.49Å; R171-L175 PolarHBondContact O-N 3.31Å; R171-G697 PolarHBondContact NE-O 2.9Å; R171-G697 PolarHBondContact NH2-O 3.33Å; R171-E698 WeakPolarHBondContact CD-O 3.42Å; R171-E698 PolarHBondContact NE-O 3.46Å; R171-Y699 PolarHBondContact NE-O 3.2Å; R171-Y699 PolarHBondContact NH2-O 3.02Å; R171-P700 VanDerWaalsContact CZ-N 3.32Å
172	V	97.3	Very high	93.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.4	-36.2	178	177	0	0	0	0	110.7	V90 V168 K170 L175 F176 Y511 V514	V90-V172 HydrophobicContact CG2-CB 3.9Å; V90-V172 HydrophobicContact CG2-CG1 3.73Å; V168-V172 WeakPolarHBondContact O-CG2 3.39Å; V168-V172 PolarHBondContact O-N 3.08Å; K170-V172 PolarHBondContact O-N 3.2Å; V172-L175 PolarHBondContact O-N 3.2Å; V172-F176 HydrophobicContact CG1-CD2 3.96Å; V172-F176 HydrophobicContact CG1-CE2 3.67Å; V172-F176 VanDerWaalsContact O-CD2 3.25Å; V172-F176 WeakPolarHBondContact O-CD2 3.19Å; V172-F176 PolarHBondContact O-N 3.01Å; V172-Y511 HydrophobicContact CB-CD2 3.9Å; V172-Y511 HydrophobicContact CB-CE2 4.34Å; V172-Y511 HydrophobicContact CG1-CD2 3.96Å; V172-Y511 HydrophobicContact CG1-CG 4.09Å; V172-Y511 HydrophobicContact CG2-CD2 3.67Å; V172-Y511 HydrophobicContact CG2-CE2 4.4Å; V172-Y511 HydrophobicContact CG2-CG 4.41Å; V172-V514 HydrophobicContact CG2-CG1 3.88Å; V172-V514 HydrophobicContact CG2-CG2 3.85Å
173	L	97.5	Very high	93.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.1	-40.2	171.5	-174.8	59.5	0	0	0	112.5	I89 V90 L93 A150 N151 M165 D169 K170 R171 L175 F176 V177	I89-L173 HydrophobicContact CG2-CD1 3.97Å; I89-L173 HydrophobicContact CG2-CD2 4.2Å; V90-L173 HydrophobicContact CB-CB 4.32Å; V90-L173 HydrophobicContact CG2-CB 4.38Å; L93-L173 HydrophobicContact CD1-CD1 3.75Å; A150-L173 HydrophobicContact CB-CD2 3.92Å; N151-L173 HydrophobicContact CB-CD2 3.72Å; N151-L173 HydrophobicContact CB-CG 4.1Å; M165-L173 HydrophobicContact CE-CD2 3.81Å; M165-L173 HydrophobicContact SD-CD2 3.89Å; D169-L173 VanDerWaalsContact O-CB 3.28Å; D169-L173 WeakPolarHBondContact O-CB 3.48Å; D169-L173 PolarHBondContact O-N 3.47Å; K170-L173 CarbonylContact O-C 3.56Å; K170-L173 WeakPolarHBondContact O-CB 3.3Å; K170-L173 PolarHBondContact O-N 2.58Å; R171-L173 VanDerWaalsContact C-N 3.28Å; R171-L173 PolarHBondContact O-N 3.27Å; L173-L175 VanDerWaalsContact C-N 3.3Å; L173-L175 PolarHBondContact O-N 3.32Å; L173-F176 PolarHBondContact O-N 2.87Å; L173-V177 HydrophobicContact CD1-CG2 4.38Å; L173-V177 HydrophobicContact CG-CG2 4.4Å; L173-V177 WeakPolarHBondContact O-CB 3.35Å; L173-V177 VanDerWaalsContact O-CG2 3.32Å; L173-V177 WeakPolarHBondContact O-CG2 3.22Å; L173-V177 PolarHBondContact O-N 3.4Å
174	D	95.9	Very high	92.8	Very high	57 Å²	57	35.9 Å²	35.9	31%	0.305	18%	0.18	S	C	.	.	H	α-helix	trans	-58.7	-42	174.6	-72.2	-39.7	0	0	0	111.2	N151 K170 R171 V177 A178	N151-D174 PolarHBondContact ND2-OD1 3.41Å; N151-D174 PolarHBondContact OD1-OD1 3.25Å; K170-D174 VanDerWaalsContact O-CG 3.27Å; K170-D174 PolarHBondContact O-N 3.41Å; R171-D174 WeakPolarHBondContact O-CB 3.47Å; R171-D174 PolarHBondContact O-N 3.04Å; D174-V177 PolarHBondContact O-N 3.21Å; D174-A178 WeakPolarHBondContact O-CB 3.46Å; D174-A178 PolarHBondContact O-N 2.97Å
175	L	95.7	Very high	92.6	Very high	28 Å²	28	30.6 Å²	30.6	15%	0.147	16%	0.157	C	C	.	.	H	α-helix	trans	-63.8	-45.2	176	-66.2	173.1	0	0	0	111.7	R171 V172 L173 V177 A178 D179 Y292 V514	R171-L175 WeakPolarHBondContact O-CG 3.49Å; R171-L175 PolarHBondContact O-N 3.31Å; V172-L175 PolarHBondContact O-N 3.2Å; L173-L175 VanDerWaalsContact C-N 3.3Å; L173-L175 PolarHBondContact O-N 3.32Å; L175-V177 PolarHBondContact O-N 3.37Å; L175-A178 WeakPolarHBondContact O-CB 3.24Å; L175-A178 PolarHBondContact O-N 3.39Å; L175-D179 PolarHBondContact O-N 3.13Å; L175-Y292 HydrophobicContact CD2-CD1 4.45Å; L175-Y292 HydrophobicContact CD2-CD2 3.65Å; L175-Y292 HydrophobicContact CD2-CE2 4.12Å; L175-Y292 HydrophobicContact CD2-CG 3.85Å; L175-V514 HydrophobicContact CD1-CG1 3.56Å
176	F	95.9	Very high	92.3	Very high	16 Å²	16	31.8 Å²	31.8	7%	0.07	16%	0.162	C	C	.	.	H	α-helix	trans	-63.1	-42.3	174.6	-79.1	-59.2	0	0	0	112.8	L93 V172 L173 A178 D179 F180 H513	L93-F176 HydrophobicContact CB-CD1 4.28Å; L93-F176 HydrophobicContact CB-CD2 3.73Å; L93-F176 HydrophobicContact CB-CE1 4.21Å; L93-F176 HydrophobicContact CB-CE2 3.64Å; L93-F176 HydrophobicContact CB-CG 4.05Å; L93-F176 HydrophobicContact CB-CZ 3.9Å; L93-F176 HydrophobicContact CD1-CB 3.9Å; L93-F176 HydrophobicContact CD1-CD2 3.97Å; L93-F176 HydrophobicContact CD1-CG 3.99Å; L93-F176 WeakPolarHBondContact O-CZ 3.39Å; V172-F176 HydrophobicContact CG1-CD2 3.96Å; V172-F176 HydrophobicContact CG1-CE2 3.67Å; V172-F176 VanDerWaalsContact O-CD2 3.25Å; V172-F176 WeakPolarHBondContact O-CD2 3.19Å; V172-F176 PolarHBondContact O-N 3.01Å; L173-F176 PolarHBondContact O-N 2.87Å; F176-A178 VanDerWaalsContact C-N 3.29Å; F176-A178 PolarHBondContact O-N 3.33Å; F176-D179 PolarHBondContact O-N 3.48Å; F176-F180 HydrophobicContact CB-CE2 4.48Å; F176-F180 WeakPolarHBondContact O-CD2 3.09Å; F176-F180 PolarHBondContact O-N 2.83Å; F176-H513 AromaticContact CD1-CE1 3.96Å; F176-H513 HydrophobicContact CE1-CB 4.26Å; F176-H513 AromaticContact CE1-CE1 3.62Å; F176-H513 AromaticContact CE1-CG 3.66Å; F176-H513 AromaticContact CE1-ND1 3.33Å; F176-H513 VanDerWaalsContact CE1-ND1 3.33Å; F176-H513 WeakPolarHBondContact CE1-ND1 3.46Å; F176-H513 HydrophobicContact CE2-CB 4.14Å; F176-H513 HydrophobicContact CZ-CB 3.59Å; F176-H513 AromaticContact CZ-CG 3.45Å; F176-H513 VanDerWaalsContact CZ-CG 3.45Å; F176-H513 AromaticContact CZ-ND1 3.61Å
177	V	94.9	Very high	91.8	Very high	11 Å²	11	29.9 Å²	29.9	7%	0.067	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-43.3	175.5	169.3	0	0	0	0	110	Y144 V148 N151 L173 D174 L175 D179 F180 E181	Y144-V177 HydrophobicContact CE2-CG1 4.46Å; V148-V177 HydrophobicContact CG2-CG1 4.33Å; N151-V177 HydrophobicContact CB-CG2 4.42Å; L173-V177 HydrophobicContact CD1-CG2 4.38Å; L173-V177 HydrophobicContact CG-CG2 4.4Å; L173-V177 WeakPolarHBondContact O-CB 3.35Å; L173-V177 VanDerWaalsContact O-CG2 3.32Å; L173-V177 WeakPolarHBondContact O-CG2 3.22Å; L173-V177 PolarHBondContact O-N 3.4Å; D174-V177 PolarHBondContact O-N 3.21Å; L175-V177 PolarHBondContact O-N 3.37Å; V177-D179 PolarHBondContact O-N 3.47Å; V177-F180 WeakPolarHBondContact O-CB 3.5Å; V177-F180 PolarHBondContact O-N 2.96Å; V177-E181 HydrophobicContact CG1-CG 4.4Å; V177-E181 WeakPolarHBondContact O-CB 3.5Å; V177-E181 VanDerWaalsContact O-CG 3.3Å; V177-E181 WeakPolarHBondContact O-CG 3.46Å; V177-E181 PolarHBondContact O-N 3.38Å
178	A	90.9	Very high	91	Very high	8 Å²	8	32.9 Å²	32.9	7%	0.066	16%	0.162	C	C	.	.	H	α-helix	trans	-60.8	-44.7	173.9	0	0	0	0	0	111.4	D174 L175 F176 F180 E181 L182 Y292	D174-A178 WeakPolarHBondContact O-CB 3.46Å; D174-A178 PolarHBondContact O-N 2.97Å; L175-A178 WeakPolarHBondContact O-CB 3.24Å; L175-A178 PolarHBondContact O-N 3.39Å; F176-A178 VanDerWaalsContact C-N 3.29Å; F176-A178 PolarHBondContact O-N 3.33Å; A178-F180 VanDerWaalsContact C-N 3.34Å; A178-F180 PolarHBondContact O-N 3.23Å; A178-E181 CarbonylContact O-C 3.5Å; A178-E181 PolarHBondContact O-N 3.34Å; A178-E181 VanDerWaalsContact O-N 3.07Å; A178-L182 WeakPolarHBondContact O-CB 3.07Å; A178-L182 WeakPolarHBondContact O-CG 3.43Å; A178-L182 PolarHBondContact O-N 2.97Å; A178-Y292 HydrophobicContact CB-CE2 3.62Å
179	D	90	Very high	90.5	Very high	58 Å²	58	36.2 Å²	36.2	31%	0.31	18%	0.18	S	C	.	.	H	α-helix	trans	-60	-40.2	177.2	-75.8	-13.1	0	0	0	113.2	L175 F176 V177 L182 S183 H513	L175-D179 PolarHBondContact O-N 3.13Å; F176-D179 PolarHBondContact O-N 3.48Å; V177-D179 PolarHBondContact O-N 3.47Å; D179-L182 WeakPolarHBondContact O-CB 3.45Å; D179-L182 PolarHBondContact O-N 2.84Å; D179-S183 PolarHBondContact O-OG 3.34Å; D179-H513 IonicContact OD2-CE1 2.7Å; D179-H513 PolarHBondContact OD2-CE1 3.23Å; D179-H513 VanDerWaalsContact OD2-CE1 3.29Å; D179-H513 IonicContact OD2-NE2 3.49Å
180	F	91.7	Very high	89.9	Confident	7 Å²	7	41.1 Å²	41.1	3%	0.031	21%	0.211	C	C	.	.	H	α-helix	trans	-59.6	-50.7	169.9	-76.3	-55.4	0	0	0	111.1	L93 L137 N138 L143 Y144 F176 V177 A178 L182 S183 V185	L93-F180 HydrophobicContact CD1-CE2 4.35Å; L93-F180 HydrophobicContact CD2-CE2 4.02Å; L93-F180 HydrophobicContact CD2-CZ 3.87Å; L137-F180 WeakPolarHBondContact O-CE1 3.46Å; N138-F180 WeakPolarHBondContact O-CD1 3.49Å; L143-F180 HydrophobicContact CB-CZ 4.44Å; L143-F180 HydrophobicContact CD2-CE1 3.84Å; L143-F180 HydrophobicContact CD2-CZ 3.56Å; L143-F180 HydrophobicContact CG-CE1 4.14Å; L143-F180 HydrophobicContact CG-CE2 4.47Å; L143-F180 HydrophobicContact CG-CZ 3.63Å; Y144-F180 HydrophobicContact CD2-CB 3.66Å; Y144-F180 HydrophobicContact CD2-CD2 4.42Å; Y144-F180 HydrophobicContact CD2-CG 4.16Å; Y144-F180 HydrophobicContact CE2-CB 4.37Å; F176-F180 HydrophobicContact CB-CE2 4.48Å; F176-F180 WeakPolarHBondContact O-CD2 3.09Å; F176-F180 PolarHBondContact O-N 2.83Å; V177-F180 WeakPolarHBondContact O-CB 3.5Å; V177-F180 PolarHBondContact O-N 2.96Å; A178-F180 VanDerWaalsContact C-N 3.34Å; A178-F180 PolarHBondContact O-N 3.23Å; F180-L182 PolarHBondContact O-N 2.95Å; F180-S183 WeakPolarHBondContact O-CA 3.49Å; F180-S183 WeakPolarHBondContact O-CB 3.42Å; F180-S183 PolarHBondContact O-N 3.13Å; F180-V185 HydrophobicContact CB-CG1 3.75Å; F180-V185 WeakPolarHBondContact O-CG1 3.4Å
181	E	88.5	Confident	89.4	Confident	61 Å²	61	41.3 Å²	41.3	29%	0.285	22%	0.222	S	C	.	.	H	α-helix	trans	-65.4	-29.4	-178.8	-71.6	178.7	175.4	0	0	113.1	Y144 V177 A178 S183 G184 Q186	Y144-E181 HydrophobicContact CE2-CG 3.87Å; V177-E181 HydrophobicContact CG1-CG 4.4Å; V177-E181 WeakPolarHBondContact O-CB 3.5Å; V177-E181 VanDerWaalsContact O-CG 3.3Å; V177-E181 WeakPolarHBondContact O-CG 3.46Å; V177-E181 PolarHBondContact O-N 3.38Å; A178-E181 CarbonylContact O-C 3.5Å; A178-E181 PolarHBondContact O-N 3.34Å; A178-E181 VanDerWaalsContact O-N 3.07Å; E181-S183 PolarHBondContact O-N 2.9Å; E181-G184 PolarHBondContact O-N 3.17Å; E181-G184 VanDerWaalsContact O-N 3.09Å; E181-Q186 VanDerWaalsContact CA-OE1 3.26Å; E181-Q186 HydrophobicContact CG-CB 4.21Å; E181-Q186 HydrophobicContact CG-CG 4.1Å; E181-Q186 PolarHBondContact O-NE2 2.82Å; E181-Q186 PolarHBondContact O-OE1 3.36Å
182	L	82.5	Confident	89	Confident	41 Å²	41	44.2 Å²	44.2	22%	0.215	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-13.4	172.3	-73.2	178.3	0	0	0	112.3	A178 D179 F180 F196 R288	A178-L182 WeakPolarHBondContact O-CB 3.07Å; A178-L182 WeakPolarHBondContact O-CG 3.43Å; A178-L182 PolarHBondContact O-N 2.97Å; D179-L182 WeakPolarHBondContact O-CB 3.45Å; D179-L182 PolarHBondContact O-N 2.84Å; F180-L182 PolarHBondContact O-N 2.95Å; L182-F196 WeakPolarHBondContact O-CZ 3.48Å; L182-R288 HydrophobicContact CD2-CG 3.74Å; L182-R288 PolarHBondContact O-NH2 3.48Å; L182-R288 VanDerWaalsContact O-NH2 3.1Å
183	S	84.7	Confident	88.5	Confident	13 Å²	13	47.1 Å²	47.1	9%	0.091	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.7	4.1	176.2	-49	0	0	0	0	112.8	N138 D179 F180 E181 V185 F196	N138-S183 WeakPolarHBondContact CB-OG 3.41Å; D179-S183 PolarHBondContact O-OG 3.34Å; F180-S183 WeakPolarHBondContact O-CA 3.49Å; F180-S183 WeakPolarHBondContact O-CB 3.42Å; F180-S183 PolarHBondContact O-N 3.13Å; E181-S183 PolarHBondContact O-N 2.9Å; S183-V185 VanDerWaalsContact C-N 3.34Å; S183-V185 PolarHBondContact O-N 2.92Å; S183-F196 WeakPolarHBondContact O-CE1 3.35Å
184	G	85	Confident	88.1	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	15.4	173.7	0	0	0	0	0	115.2	E181 Q186 L187 H193	E181-G184 PolarHBondContact O-N 3.17Å; E181-G184 VanDerWaalsContact O-N 3.09Å; G184-Q186 VanDerWaalsContact C-N 3.27Å; G184-Q186 PolarHBondContact O-N 2.87Å; G184-L187 VanDerWaalsContact O-CB 3.26Å; G184-L187 WeakPolarHBondContact O-CB 3.47Å; G184-L187 WeakPolarHBondContact O-CG 3.37Å; G184-L187 PolarHBondContact O-N 3.05Å; G184-L187 VanDerWaalsContact O-N 3.17Å; G184-H193 PolarHBondContact O-ND1 3.39Å
185	V	87	Confident	87.8	Confident	18 Å²	18	54.3 Å²	54.3	11%	0.109	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-26.8	-178.9	70.2	0	0	0	0	114	N138 T139 Y144 F180 S183 L187	N138-V185 WeakPolarHBondContact O-CB 3.23Å; T139-V185 WeakPolarHBondContact O-CG2 3.41Å; Y144-V185 HydrophobicContact CD1-CG1 4.02Å; Y144-V185 HydrophobicContact CD1-CG2 4.45Å; Y144-V185 HydrophobicContact CD2-CG1 3.57Å; Y144-V185 HydrophobicContact CE2-CG1 4.15Å; Y144-V185 HydrophobicContact CG-CG1 3.48Å; Y144-V185 VanDerWaalsContact CG-CG1 3.48Å; Y144-V185 HydrophobicContact CG-CG2 4.26Å; F180-V185 HydrophobicContact CB-CG1 3.75Å; F180-V185 WeakPolarHBondContact O-CG1 3.4Å; S183-V185 VanDerWaalsContact C-N 3.34Å; S183-V185 PolarHBondContact O-N 2.92Å; V185-L187 PolarHBondContact O-N 3.23Å
186	Q	87	Confident	87.6	Confident	38 Å²	38	53.4 Å²	53.4	18%	0.178	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-16.7	175.6	77.3	-75.1	20.9	0	0	113.3	Y144 E181 G184 Q188 A280	Y144-Q186 HydrophobicContact CE1-CB 3.8Å; Y144-Q186 HydrophobicContact CE2-CB 4.2Å; Y144-Q186 VanDerWaalsContact CZ-CB 3.44Å; Y144-Q186 WeakPolarHBondContact OH-CB 3.44Å; E181-Q186 VanDerWaalsContact CA-OE1 3.26Å; E181-Q186 HydrophobicContact CG-CB 4.21Å; E181-Q186 HydrophobicContact CG-CG 4.1Å; E181-Q186 PolarHBondContact O-NE2 2.82Å; E181-Q186 PolarHBondContact O-OE1 3.36Å; G184-Q186 VanDerWaalsContact C-N 3.27Å; G184-Q186 PolarHBondContact O-N 2.87Å; Q186-Q188 PolarHBondContact O-N 2.92Å; Q186-A280 PolarHBondContact NE2-O 2.9Å
187	L	84.2	Confident	87.2	Confident	22 Å²	22	55.7 Å²	55.7	12%	0.115	29%	0.288	C	S	.	.			trans	-73.7	95	-175.4	-57.7	175.5	0	0	0	109.6	G184 V185 D189 R192 H193 F196 A279	G184-L187 VanDerWaalsContact O-CB 3.26Å; G184-L187 WeakPolarHBondContact O-CB 3.47Å; G184-L187 WeakPolarHBondContact O-CG 3.37Å; G184-L187 PolarHBondContact O-N 3.05Å; G184-L187 VanDerWaalsContact O-N 3.17Å; V185-L187 PolarHBondContact O-N 3.23Å; L187-D189 VanDerWaalsContact C-N 3.25Å; L187-D189 PolarHBondContact O-N 3.16Å; L187-R192 HydrophobicContact CD1-CB 4.39Å; L187-R192 HydrophobicContact CD2-CB 4.43Å; L187-H193 HydrophobicContact CB-CB 3.98Å; L187-F196 HydrophobicContact CD1-CB 3.68Å; L187-F196 HydrophobicContact CD1-CG 4.13Å; L187-A279 WeakPolarHBondContact CD2-O 3.45Å
188	Q	78.9	Confident	87.1	Confident	189 Å²	189	62.1 Å²	62.1	88%	0.883	31%	0.311	S	S	*	.			trans	-68.7	-26.8	175.1	-64.3	-178.8	0.2	0	0	112.5	Q186 P190	Q186-Q188 PolarHBondContact O-N 2.92Å; Q188-P190 VanDerWaalsContact O-CD 3.24Å; Q188-P190 WeakPolarHBondContact O-CD 3.5Å
189	D	83.9	Confident	87.3	Confident	77 Å²	77	61.8 Å²	61.8	41%	0.412	31%	0.308	S	S	.	.	S	Bend	trans	-75.9	112.5	175	179.1	-1.4	0	0	0	109.5	L187 C191 R192 H193	L187-D189 VanDerWaalsContact C-N 3.25Å; L187-D189 PolarHBondContact O-N 3.16Å; D189-C191 PolarHBondContact O-N 2.78Å; D189-C191 VanDerWaalsContact O-N 3.17Å; D189-C191 VanDerWaalsContact OD1-CB 3.25Å; D189-C191 WeakPolarHBondContact OD1-CB 3.38Å; D189-C191 PolarHBondContact OD1-N 3.27Å; D189-R192 HydrophobicContact CB-CB 4.12Å; D189-R192 HydrophobicContact CB-CG 4.17Å; D189-R192 PolarHBondContact O-N 3.42Å; D189-R192 VanDerWaalsContact O-N 3.13Å; D189-R192 WeakPolarHBondContact OD2-CG 3.34Å; D189-H193 PolarHBondContact O-N 2.87Å
190	P	84	Confident	87.4	Confident	103 Å²	103	60.4 Å²	60.4	67%	0.669	31%	0.305	S	S	*	.	H	α-helix	trans	-57.5	-31.9	179.9	-23.4	35	0	0	0	112.8	Q188 H193 E194	Q188-P190 VanDerWaalsContact O-CD 3.24Å; Q188-P190 WeakPolarHBondContact O-CD 3.5Å; P190-H193 PolarHBondContact O-N 3.1Å; P190-E194 WeakPolarHBondContact O-CB 3.19Å; P190-E194 PolarHBondContact O-N 2.84Å
191	C	87.2	Confident	87.4	Confident	85 Å²	85	62.9 Å²	62.9	57%	0.574	32%	0.323	S	S	*	.	H	α-helix	trans	-67	-45.9	178.8	-173.2	0	0	0	0	111	D189 E194 Q195	D189-C191 PolarHBondContact O-N 2.78Å; D189-C191 VanDerWaalsContact O-N 3.17Å; D189-C191 VanDerWaalsContact OD1-CB 3.25Å; D189-C191 WeakPolarHBondContact OD1-CB 3.38Å; D189-C191 PolarHBondContact OD1-N 3.27Å; C191-E194 PolarHBondContact O-N 2.88Å; C191-Q195 VanDerWaalsContact O-CB 3.31Å; C191-Q195 WeakPolarHBondContact O-CB 3.43Å; C191-Q195 PolarHBondContact O-N 3.49Å
192	R	87	Confident	87.7	Confident	97 Å²	97	63.6 Å²	63.6	37%	0.366	33%	0.325	S	S	.	.	H	α-helix	trans	-66.4	-37.9	175.7	-71.9	-175.4	71.5	175.6	5.2	112.1	L187 D189 Q195 F196 Q278 A279	L187-R192 HydrophobicContact CD1-CB 4.39Å; L187-R192 HydrophobicContact CD2-CB 4.43Å; D189-R192 HydrophobicContact CB-CB 4.12Å; D189-R192 HydrophobicContact CB-CG 4.17Å; D189-R192 PolarHBondContact O-N 3.42Å; D189-R192 VanDerWaalsContact O-N 3.13Å; D189-R192 WeakPolarHBondContact OD2-CG 3.34Å; R192-Q195 WeakPolarHBondContact O-CB 3.49Å; R192-Q195 PolarHBondContact O-N 3.26Å; R192-F196 WeakPolarHBondContact O-CB 3.3Å; R192-F196 PolarHBondContact O-N 3.22Å; R192-Q278 PolarHBondContact NH2-O 2.99Å; R192-A279 PolarHBondContact NE-O 2.8Å; R192-A279 PolarHBondContact NH2-O 3.39Å
193	H	86.6	Confident	88.4	Confident	61 Å²	61	62 Å²	62	28%	0.282	32%	0.319	S	S	.	.	H	α-helix	trans	-64.3	-47.6	176.6	-174.7	78.2	0	0	0	111.4	G184 L187 D189 P190 Q195 F196 V197	G184-H193 PolarHBondContact O-ND1 3.39Å; L187-H193 HydrophobicContact CB-CB 3.98Å; D189-H193 PolarHBondContact O-N 2.87Å; P190-H193 PolarHBondContact O-N 3.1Å; H193-Q195 VanDerWaalsContact C-N 3.3Å; H193-Q195 PolarHBondContact O-N 3.45Å; H193-F196 WeakPolarHBondContact O-CB 3.48Å; H193-F196 PolarHBondContact O-N 3.15Å; H193-V197 WeakPolarHBondContact O-CG2 3.42Å; H193-V197 PolarHBondContact O-N 2.9Å
194	E	87.9	Confident	88.8	Confident	142 Å²	142	67.5 Å²	67.5	66%	0.664	35%	0.346	S	S	*	.	H	α-helix	trans	-60.2	-41.5	175.4	-174.7	177.8	-179.1	0	0	111.7	P190 C191 V197 R198	P190-E194 WeakPolarHBondContact O-CB 3.19Å; P190-E194 PolarHBondContact O-N 2.84Å; C191-E194 PolarHBondContact O-N 2.88Å; E194-V197 PolarHBondContact O-N 3.15Å; E194-R198 VanDerWaalsContact O-CB 3.28Å; E194-R198 WeakPolarHBondContact O-CB 3.43Å; E194-R198 PolarHBondContact O-N 3.25Å
195	Q	90.6	Very high	89.3	Confident	66 Å²	66	71.7 Å²	71.7	31%	0.308	37%	0.369	S	S	.	.	H	α-helix	trans	-58.9	-48.5	174.2	-172.2	-178.9	17.2	0	0	111.8	C191 R192 H193 A199 E275 A279	C191-Q195 VanDerWaalsContact O-CB 3.31Å; C191-Q195 WeakPolarHBondContact O-CB 3.43Å; C191-Q195 PolarHBondContact O-N 3.49Å; R192-Q195 WeakPolarHBondContact O-CB 3.49Å; R192-Q195 PolarHBondContact O-N 3.26Å; H193-Q195 VanDerWaalsContact C-N 3.3Å; H193-Q195 PolarHBondContact O-N 3.45Å; Q195-A199 VanDerWaalsContact O-CB 3.23Å; Q195-A199 WeakPolarHBondContact O-CB 3.46Å; Q195-A199 PolarHBondContact O-N 3.26Å; Q195-E275 HydrophobicContact CG-CG 3.82Å; Q195-E275 WeakPolarHBondContact CG-OE1 3.37Å; Q195-E275 PolarHBondContact NE2-OE1 2.79Å; Q195-A279 HydrophobicContact CG-CB 4.38Å
196	F	91	Very high	89.9	Confident	8 Å²	8	74 Å²	74	4%	0.035	38%	0.376	C	S	.	.	H	α-helix	trans	-57.2	-53.6	177.9	176.2	-88.3	0	0	0	111.4	L182 S183 L187 R192 H193 R198 A199 A200 M276 A279 A280	L182-F196 WeakPolarHBondContact O-CZ 3.48Å; S183-F196 WeakPolarHBondContact O-CE1 3.35Å; L187-F196 HydrophobicContact CD1-CB 3.68Å; L187-F196 HydrophobicContact CD1-CG 4.13Å; R192-F196 WeakPolarHBondContact O-CB 3.3Å; R192-F196 PolarHBondContact O-N 3.22Å; H193-F196 WeakPolarHBondContact O-CB 3.48Å; H193-F196 PolarHBondContact O-N 3.15Å; F196-R198 PolarHBondContact O-N 2.68Å; F196-A199 PolarHBondContact O-N 3.25Å; F196-A200 HydrophobicContact CE1-CB 4.25Å; F196-A200 HydrophobicContact CZ-CB 4.37Å; F196-A200 WeakPolarHBondContact O-CB 3.36Å; F196-A200 PolarHBondContact O-N 3.27Å; F196-M276 HydrophobicContact CD2-CG 3.78Å; F196-M276 WeakPolarHBondContact CD2-O 3.33Å; F196-M276 HydrophobicContact CE2-CG 3.31Å; F196-M276 HydrophobicContact CE2-SD 4.19Å; F196-M276 HydrophobicContact CZ-CG 3.87Å; F196-M276 HydrophobicContact CZ-SD 4.2Å; F196-A279 HydrophobicContact CB-CB 3.7Å; F196-A279 HydrophobicContact CD2-CB 4.22Å; F196-A279 HydrophobicContact CG-CB 4.49Å; F196-A280 HydrophobicContact CD2-CB 4.04Å; F196-A280 HydrophobicContact CE2-CB 4.01Å
197	V	88.1	Confident	90.4	Very high	64 Å²	64	72.2 Å²	72.2	39%	0.388	37%	0.368	S	S	.	.	H	α-helix	trans	-61.3	-44.8	-176.4	171.9	0	0	0	0	110.9	H193 E194 A199 A200 S201	H193-V197 WeakPolarHBondContact O-CG2 3.42Å; H193-V197 PolarHBondContact O-N 2.9Å; E194-V197 PolarHBondContact O-N 3.15Å; V197-A199 PolarHBondContact O-N 3.41Å; V197-A200 PolarHBondContact O-N 3.26Å; V197-S201 WeakPolarHBondContact O-CB 3.24Å; V197-S201 PolarHBondContact O-N 3.06Å
198	R	93	Very high	90.9	Very high	147 Å²	147	74.1 Å²	74.1	56%	0.555	39%	0.387	S	S	*	.	H	α-helix	trans	-60.5	-47.2	176.8	-179.3	-177	171.6	-157.5	-3.6	111.6	E194 F196 S201 F202	E194-R198 VanDerWaalsContact O-CB 3.28Å; E194-R198 WeakPolarHBondContact O-CB 3.43Å; E194-R198 PolarHBondContact O-N 3.25Å; F196-R198 PolarHBondContact O-N 2.68Å; R198-S201 PolarHBondContact O-N 2.84Å; R198-F202 HydrophobicContact CG-CD2 4.39Å; R198-F202 HydrophobicContact CG-CE2 4.07Å; R198-F202 HydrophobicContact CG-CZ 4.17Å; R198-F202 WeakPolarHBondContact O-CG 3.23Å; R198-F202 PolarHBondContact O-N 3.31Å
199	A	94.7	Very high	91.8	Very high	0 Å²	0	71 Å²	71	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-65.5	-41.9	-179.1	0	0	0	0	0	111.9	Q195 F196 V197 F202 A203 A272 E275 M276	Q195-A199 VanDerWaalsContact O-CB 3.23Å; Q195-A199 WeakPolarHBondContact O-CB 3.46Å; Q195-A199 PolarHBondContact O-N 3.26Å; F196-A199 PolarHBondContact O-N 3.25Å; V197-A199 PolarHBondContact O-N 3.41Å; A199-F202 PolarHBondContact O-N 3.29Å; A199-A203 WeakPolarHBondContact O-CB 3.23Å; A199-A203 PolarHBondContact O-N 2.85Å; A199-A272 WeakPolarHBondContact CB-O 3.42Å; A199-E275 HydrophobicContact CB-CB 3.99Å; A199-E275 HydrophobicContact CB-CG 3.88Å; A199-M276 HydrophobicContact CB-CB 3.87Å
200	A	91.7	Very high	92.5	Very high	29 Å²	29	67.4 Å²	67.4	24%	0.24	35%	0.351	C	S	.	.	H	α-helix	trans	-60.5	-46.2	175.2	0	0	0	0	0	112.1	F196 V197 F202 A203 L204 M276	F196-A200 HydrophobicContact CE1-CB 4.25Å; F196-A200 HydrophobicContact CZ-CB 4.37Å; F196-A200 WeakPolarHBondContact O-CB 3.36Å; F196-A200 PolarHBondContact O-N 3.27Å; V197-A200 PolarHBondContact O-N 3.26Å; A200-F202 PolarHBondContact O-N 3.37Å; A200-A203 PolarHBondContact O-N 3.26Å; A200-L204 PolarHBondContact O-N 2.74Å; A200-M276 HydrophobicContact CB-CG 4.26Å; A200-M276 HydrophobicContact CB-SD 3.6Å; A200-M276 VanDerWaalsContact CB-SD 3.6Å
201	S	91.4	Very high	93.1	Very high	60 Å²	60	64.1 Å²	64.1	42%	0.42	33%	0.327	S	S	.	.	H	α-helix	trans	-60.6	-43.4	176.1	-175.7	0	0	0	0	112.1	V197 R198 L204 N205	V197-S201 WeakPolarHBondContact O-CB 3.24Å; V197-S201 PolarHBondContact O-N 3.06Å; R198-S201 PolarHBondContact O-N 2.84Å; S201-L204 PolarHBondContact O-N 2.89Å; S201-N205 PolarHBondContact O-N 2.68Å; S201-N205 PolarHBondContact O-ND2 3.44Å; S201-N205 VanDerWaalsContact O-ND2 3.13Å
202	F	96.3	Very high	93.4	Very high	75 Å²	75	67 Å²	67	33%	0.329	33%	0.332	S	S	.	.	H	α-helix	trans	-64	-43.7	175.6	-75.3	-2.1	0	0	0	112.1	R198 A199 A200 L204 N205 Y206 A272	R198-F202 HydrophobicContact CG-CD2 4.39Å; R198-F202 HydrophobicContact CG-CE2 4.07Å; R198-F202 HydrophobicContact CG-CZ 4.17Å; R198-F202 WeakPolarHBondContact O-CG 3.23Å; R198-F202 PolarHBondContact O-N 3.31Å; A199-F202 PolarHBondContact O-N 3.29Å; A200-F202 PolarHBondContact O-N 3.37Å; F202-L204 VanDerWaalsContact C-N 3.3Å; F202-L204 PolarHBondContact O-N 3.28Å; F202-N205 PolarHBondContact O-N 2.96Å; F202-Y206 HydrophobicContact CB-CD2 4.16Å; F202-Y206 HydrophobicContact CB-CE2 4.22Å; F202-Y206 HydrophobicContact CG-CE2 4.43Å; F202-Y206 WeakPolarHBondContact O-CB 3.37Å; F202-Y206 WeakPolarHBondContact O-CD2 3.26Å; F202-Y206 PolarHBondContact O-N 3.37Å; F202-A272 HydrophobicContact CB-CB 3.82Å
203	A	96.2	Very high	93.9	Very high	9 Å²	9	62.9 Å²	62.9	7%	0.074	32%	0.32	C	S	.	.	H	α-helix	trans	-59.5	-41.4	177.1	0	0	0	0	0	111.8	A199 A200 G207 L269 A272 R273	A199-A203 WeakPolarHBondContact O-CB 3.23Å; A199-A203 PolarHBondContact O-N 2.85Å; A200-A203 PolarHBondContact O-N 3.26Å; A203-G207 WeakPolarHBondContact O-CA 3.21Å; A203-G207 PolarHBondContact O-N 2.79Å; A203-L269 HydrophobicContact CB-CD1 4.25Å; A203-L269 WeakPolarHBondContact O-CD1 3.42Å; A203-A272 HydrophobicContact CB-CB 4.02Å; A203-R273 HydrophobicContact CB-CG 3.9Å
204	L	93.7	Very high	94.3	Very high	127 Å²	127	60.1 Å²	60.1	67%	0.665	31%	0.308	S	S	*	.	H	α-helix	trans	-64.9	-47.7	176.4	-175	140.8	0	0	0	112	A200 S201 F202 G207 A208	A200-L204 PolarHBondContact O-N 2.74Å; S201-L204 PolarHBondContact O-N 2.89Å; F202-L204 VanDerWaalsContact C-N 3.3Å; F202-L204 PolarHBondContact O-N 3.28Å; L204-G207 PolarHBondContact O-N 2.96Å; L204-A208 PolarHBondContact O-N 3.06Å
205	N	95.8	Very high	94.6	Very high	89 Å²	89	59.5 Å²	59.5	48%	0.476	31%	0.305	S	S	.	.	H	α-helix	trans	-64.9	-47.5	-179.1	-72.8	-34.8	0	0	0	112.6	S201 F202 G207 A208 K209	S201-N205 PolarHBondContact O-N 2.68Å; S201-N205 PolarHBondContact O-ND2 3.44Å; S201-N205 VanDerWaalsContact O-ND2 3.13Å; F202-N205 PolarHBondContact O-N 2.96Å; N205-G207 VanDerWaalsContact C-N 3.31Å; N205-G207 PolarHBondContact O-N 3.09Å; N205-A208 PolarHBondContact O-N 3.15Å; N205-K209 WeakPolarHBondContact O-CB 3.4Å; N205-K209 PolarHBondContact O-N 2.9Å
206	Y	98.1	Very high	94.7	Very high	65 Å²	65	58.4 Å²	58.4	26%	0.255	30%	0.304	S	S	.	.	H	α-helix	trans	-68.8	-31.4	176.7	-73.2	-64.2	0	0	0	112	F202 F210 C265 Q268	F202-Y206 HydrophobicContact CB-CD2 4.16Å; F202-Y206 HydrophobicContact CB-CE2 4.22Å; F202-Y206 HydrophobicContact CG-CE2 4.43Å; F202-Y206 WeakPolarHBondContact O-CB 3.37Å; F202-Y206 WeakPolarHBondContact O-CD2 3.26Å; F202-Y206 PolarHBondContact O-N 3.37Å; Y206-F210 WeakPolarHBondContact O-CB 3.3Å; Y206-F210 PolarHBondContact O-N 3.36Å; Y206-C265 PolarHBondContact O-SG 2.71Å; Y206-C265 VanDerWaalsContact O-SG 3.35Å; Y206-Q268 HydrophobicContact CD1-CB 3.78Å; Y206-Q268 HydrophobicContact CD1-CG 4.49Å; Y206-Q268 HydrophobicContact CD2-CB 3.64Å; Y206-Q268 HydrophobicContact CE1-CB 3.64Å; Y206-Q268 HydrophobicContact CE1-CG 3.92Å; Y206-Q268 HydrophobicContact CE2-CB 3.52Å; Y206-Q268 HydrophobicContact CE2-CG 4.2Å; Y206-Q268 HydrophobicContact CG-CB 3.78Å
207	G	97.6	Very high	94.8	Very high	2 Å²	2	61 Å²	61	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-61.1	-51.8	172.4	0	0	0	0	0	112	A203 L204 N205 K209 F210 I211	A203-G207 WeakPolarHBondContact O-CA 3.21Å; A203-G207 PolarHBondContact O-N 2.79Å; L204-G207 PolarHBondContact O-N 2.96Å; N205-G207 VanDerWaalsContact C-N 3.31Å; N205-G207 PolarHBondContact O-N 3.09Å; G207-K209 PolarHBondContact O-N 3.23Å; G207-F210 PolarHBondContact O-N 3.37Å; G207-I211 WeakPolarHBondContact O-CG1 3.48Å; G207-I211 PolarHBondContact O-N 3.26Å
208	A	96	Very high	95	Very high	61 Å²	61	59.4 Å²	59.4	50%	0.504	31%	0.311	S	S	.	.	H	α-helix	trans	-59.7	-45.3	177.4	0	0	0	0	0	112.1	L204 N205 F210 I211 E212	L204-A208 PolarHBondContact O-N 3.06Å; N205-A208 PolarHBondContact O-N 3.15Å; A208-F210 VanDerWaalsContact C-N 3.34Å; A208-F210 PolarHBondContact O-N 2.82Å; A208-I211 PolarHBondContact O-N 2.83Å; A208-E212 PolarHBondContact O-N 3.25Å
209	K	97.4	Very high	95	Very high	125 Å²	125	56 Å²	56	54%	0.543	32%	0.315	S	S	.	.	H	α-helix	trans	-62.5	-39.6	176.3	-176	176.5	179.4	177.8	0	112.6	N205 G207 E212 G213	N205-K209 WeakPolarHBondContact O-CB 3.4Å; N205-K209 PolarHBondContact O-N 2.9Å; G207-K209 PolarHBondContact O-N 3.23Å; K209-E212 PolarHBondContact O-N 3.44Å; K209-G213 PolarHBondContact O-N 3.2Å; K209-G213 VanDerWaalsContact O-N 3.13Å
210	F	98.2	Very high	94.8	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-65.1	-44.4	177.1	-174	-91.9	0	0	0	111.1	Y206 G207 A208 E212 G213 C214 Q262 C265 L266 P644 L650 V651	Y206-F210 WeakPolarHBondContact O-CB 3.3Å; Y206-F210 PolarHBondContact O-N 3.36Å; G207-F210 PolarHBondContact O-N 3.37Å; A208-F210 VanDerWaalsContact C-N 3.34Å; A208-F210 PolarHBondContact O-N 2.82Å; F210-E212 VanDerWaalsContact C-N 3.33Å; F210-E212 PolarHBondContact O-N 3.14Å; F210-G213 PolarHBondContact O-N 3.27Å; F210-G213 VanDerWaalsContact O-N 3.14Å; F210-C214 VanDerWaalsContact CD1-SG 3.59Å; F210-C214 WeakPolarHBondContact CE1-SG 3.49Å; F210-C214 PolarHBondContact O-N 2.82Å; F210-C214 PolarHBondContact O-SG 3.35Å; F210-Q262 HydrophobicContact CD2-CG 4.11Å; F210-Q262 VanDerWaalsContact CD2-NE2 3.29Å; F210-Q262 HydrophobicContact CE2-CG 3.84Å; F210-Q262 PolarHBondContact O-NE2 3.31Å; F210-C265 HydrophobicContact CD2-CB 4.43Å; F210-L266 HydrophobicContact CD2-CB 4.1Å; F210-L266 HydrophobicContact CD2-CD1 4.49Å; F210-L266 HydrophobicContact CE2-CB 3.74Å; F210-L266 HydrophobicContact CE2-CD1 4.03Å; F210-L266 HydrophobicContact CE2-CD2 4.44Å; F210-L266 HydrophobicContact CE2-CG 4.28Å; F210-L266 HydrophobicContact CZ-CD1 4.15Å; F210-P644 WeakPolarHBondContact CZ-O 3.28Å; F210-L650 HydrophobicContact CE1-CB 4.49Å; F210-L650 HydrophobicContact CZ-CD1 4.28Å; F210-V651 HydrophobicContact CB-CG2 4.15Å; F210-V651 HydrophobicContact CD1-CG2 3.49Å; F210-V651 VanDerWaalsContact CD1-CG2 3.49Å; F210-V651 HydrophobicContact CE1-CG2 4.29Å; F210-V651 HydrophobicContact CG-CG2 4.18Å
211	I	96.8	Very high	94.5	Very high	34 Å²	34	58.2 Å²	58.2	17%	0.174	33%	0.325	C	S	.	.	H	α-helix	trans	-57.7	-44.6	175	-70.6	-61.8	0	0	0	111.6	G207 A208 G213 C214 H215 T648 V651	G207-I211 WeakPolarHBondContact O-CG1 3.48Å; G207-I211 PolarHBondContact O-N 3.26Å; A208-I211 PolarHBondContact O-N 2.83Å; I211-G213 VanDerWaalsContact C-N 3.3Å; I211-G213 PolarHBondContact O-N 3.39Å; I211-C214 WeakPolarHBondContact O-CB 3.16Å; I211-C214 PolarHBondContact O-N 3.03Å; I211-C214 VanDerWaalsContact O-N 3.09Å; I211-H215 PolarHBondContact O-CD2 3.34Å; I211-H215 PolarHBondContact O-N 2.77Å; I211-T648 HydrophobicContact CD1-CG2 3.72Å; I211-V651 HydrophobicContact CD1-CB 3.86Å; I211-V651 HydrophobicContact CD1-CG1 4.48Å; I211-V651 HydrophobicContact CD1-CG2 3.93Å; I211-V651 HydrophobicContact CG1-CB 3.94Å; I211-V651 HydrophobicContact CG1-CG1 4.05Å; I211-V651 HydrophobicContact CG1-CG2 3.97Å
212	E	94.3	Very high	93.6	Very high	145 Å²	145	56.2 Å²	56.2	68%	0.678	31%	0.311	S	S	*	.	H	α-helix	trans	-55.8	-46.6	175	-175.4	-177.9	-170.6	0	0	111.3	A208 K209 F210 C214 H215 S216	A208-E212 PolarHBondContact O-N 3.25Å; K209-E212 PolarHBondContact O-N 3.44Å; F210-E212 VanDerWaalsContact C-N 3.33Å; F210-E212 PolarHBondContact O-N 3.14Å; E212-C214 VanDerWaalsContact C-N 3.33Å; E212-C214 PolarHBondContact O-N 3.41Å; E212-H215 PolarHBondContact O-N 2.96Å; E212-S216 PolarHBondContact O-N 2.96Å
213	G	95.8	Very high	92.4	Very high	11 Å²	11	60.1 Å²	60.1	11%	0.113	33%	0.328	C	S	.	.	H	α-helix	trans	-62.5	-34.9	175.4	0	0	0	0	0	113.9	K209 F210 I211 H215 S216	K209-G213 PolarHBondContact O-N 3.2Å; K209-G213 VanDerWaalsContact O-N 3.13Å; F210-G213 PolarHBondContact O-N 3.27Å; F210-G213 VanDerWaalsContact O-N 3.14Å; I211-G213 VanDerWaalsContact C-N 3.3Å; I211-G213 PolarHBondContact O-N 3.39Å; G213-H215 VanDerWaalsContact C-N 3.32Å; G213-H215 PolarHBondContact O-N 3.08Å; G213-S216 WeakPolarHBondContact O-CB 3.29Å; G213-S216 PolarHBondContact O-N 3.31Å; G213-S216 PolarHBondContact O-OG 2.79Å
214	C	96.4	Very high	90.9	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.02	34%	0.343	C	S	.	.	H	α-helix	trans	-61.9	-39.9	176.5	-64.7	0	0	0	0	112.3	F210 I211 E212 S216 H645 R646 T648	F210-C214 VanDerWaalsContact CD1-SG 3.59Å; F210-C214 WeakPolarHBondContact CE1-SG 3.49Å; F210-C214 PolarHBondContact O-N 2.82Å; F210-C214 PolarHBondContact O-SG 3.35Å; I211-C214 WeakPolarHBondContact O-CB 3.16Å; I211-C214 PolarHBondContact O-N 3.03Å; I211-C214 VanDerWaalsContact O-N 3.09Å; E212-C214 VanDerWaalsContact C-N 3.33Å; E212-C214 PolarHBondContact O-N 3.41Å; C214-S216 VanDerWaalsContact C-N 3.34Å; C214-H645 PolarHBondContact SG-O 3.26Å; C214-R646 PolarHBondContact O-NH1 2.87Å; C214-T648 HydrophobicContact CB-CG2 3.53Å
215	H	93	Very high	89.3	Confident	130 Å²	130	60 Å²	60	60%	0.602	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-1.5	-177.4	-64.6	-61.6	0	0	0	114.2	I211 E212 G213 T217	I211-H215 PolarHBondContact O-CD2 3.34Å; I211-H215 PolarHBondContact O-N 2.77Å; E212-H215 PolarHBondContact O-N 2.96Å; G213-H215 VanDerWaalsContact C-N 3.32Å; G213-H215 PolarHBondContact O-N 3.08Å; H215-T217 PolarHBondContact O-N 3.42Å
216	S	93.7	Very high	87.5	Confident	42 Å²	42	62.4 Å²	62.4	29%	0.294	34%	0.339	S	S	.	.			trans	-58.4	128.9	177	63.1	0	0	0	0	112.1	E212 G213 C214 R646	E212-S216 PolarHBondContact O-N 2.96Å; G213-S216 WeakPolarHBondContact O-CB 3.29Å; G213-S216 PolarHBondContact O-N 3.31Å; G213-S216 PolarHBondContact O-OG 2.79Å; C214-S216 VanDerWaalsContact C-N 3.34Å; S216-R646 PolarHBondContact O-NH1 2.7Å; S216-R646 PolarHBondContact OG-NH1 2.93Å
217	T	92.6	Very high	85.4	Confident	63 Å²	63	69.1 Å²	69.1	39%	0.387	37%	0.37	S	S	.	.			trans	-80.3	151.6	177.5	57.3	0	0	0	0	111.7	H215 L235 V236	H215-T217 PolarHBondContact O-N 3.42Å; T217-L235 WeakPolarHBondContact CA-O 3.42Å; T217-V236 HydrophobicContact CG2-CG1 3.81Å
218	V	93.2	Very high	83.3	Confident	31 Å²	31	71.6 Å²	71.6	19%	0.188	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123.3	175.5	-179.8	0	0	0	0	110.6	F220 L235 A254 Y255 R646	V218-F220 PolarHBondContact O-N 3.3Å; V218-L235 HydrophobicContact CB-CB 4.47Å; V218-L235 PolarHBondContact N-O 2.98Å; V218-L235 WeakPolarHBondContact O-CB 3.25Å; V218-L235 PolarHBondContact O-N 2.77Å; V218-A254 HydrophobicContact CG1-CB 4.22Å; V218-Y255 HydrophobicContact CG2-CD2 4.35Å; V218-R646 VanDerWaalsContact CG2-NH2 3.34Å
219	A	91.8	Very high	81.7	Confident	76 Å²	76	80.8 Å²	80.8	63%	0.628	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	126.2	173.9	0	0	0	0	0	110.7
220	F	90.2	Very high	80.5	Confident	13 Å²	13	77.6 Å²	77.6	6%	0.057	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137	-177.9	-168.6	-97.7	0	0	0	111.6	V218 S222 Y224 S232 I233 L235 S250 T251 A254	V218-F220 PolarHBondContact O-N 3.3Å; F220-S222 PolarHBondContact O-N 3.42Å; F220-Y224 HydrophobicContact CD1-CD2 4.5Å; F220-Y224 AromaticContact CE1-CD2 3.55Å; F220-Y224 HydrophobicContact CE1-CD2 3.55Å; F220-Y224 HydrophobicContact CE1-CE2 4.4Å; F220-Y224 HydrophobicContact CE1-CG 4.21Å; F220-Y224 AromaticContact CZ-CD2 3.86Å; F220-Y224 HydrophobicContact CZ-CD2 3.86Å; F220-Y224 HydrophobicContact CZ-CE2 4.31Å; F220-S232 CarbonylContact O-C 3.57Å; F220-S232 WeakPolarHBondContact O-CA 3.44Å; F220-S232 WeakPolarHBondContact O-CB 3.38Å; F220-I233 HydrophobicContact CB-CG1 4.05Å; F220-I233 HydrophobicContact CD1-CD1 4.41Å; F220-I233 HydrophobicContact CD1-CG1 4.44Å; F220-I233 PolarHBondContact N-O 3.47Å; F220-I233 PolarHBondContact O-N 2.99Å; F220-L235 HydrophobicContact CB-CD1 3.57Å; F220-L235 HydrophobicContact CB-CD2 4.35Å; F220-L235 HydrophobicContact CB-CG 3.7Å; F220-L235 HydrophobicContact CD2-CD1 3.92Å; F220-L235 HydrophobicContact CG-CD1 3.77Å; F220-L235 HydrophobicContact CG-CG 4.33Å; F220-S250 WeakPolarHBondContact CZ-OG 3.31Å; F220-T251 HydrophobicContact CD1-CG2 4.15Å; F220-T251 HydrophobicContact CE1-CG2 3.74Å; F220-T251 HydrophobicContact CE2-CG2 4.16Å; F220-T251 HydrophobicContact CZ-CG2 3.75Å; F220-A254 HydrophobicContact CD2-CB 3.82Å; F220-A254 HydrophobicContact CE2-CB 4.09Å
221	P	85.3	Confident	79.6	Confident	61 Å²	61	84.7 Å²	84.7	40%	0.396	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	128.7	-177.9	-24.7	34.5	0	0	0	113.2	K223	P221-K223 HydrophobicContact CB-CG 4.26Å; P221-K223 PolarHBondContact O-N 3.04Å
222	S	74	Confident	79	Confident	18 Å²	18	85.7 Å²	85.7	13%	0.126	45%	0.452	C	S	.	.	G	3₁₀ helix	trans	-71.8	-11.8	-175.8	63.8	0	0	0	0	114.7	F220 Y224 T225 S230 N231	F220-S222 PolarHBondContact O-N 3.42Å; S222-Y224 PolarHBondContact O-N 2.93Å; S222-T225 PolarHBondContact O-N 3.21Å; S222-T225 PolarHBondContact O-OG1 2.81Å; S222-S230 WeakPolarHBondContact CB-O 3.39Å; S222-S230 PolarHBondContact OG-O 3.04Å; S222-N231 PolarHBondContact N-O 2.83Å; S222-N231 WeakPolarHBondContact OG-CA 3.23Å; S222-N231 PolarHBondContact OG-O 2.99Å
223	K	70.1	Confident	78.6	Confident	157 Å²	157	80.5 Å²	80.5	68%	0.683	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-56.9	-11.6	179.4	68.2	-177.1	-177.3	178.8	0	114.6	P221	P221-K223 HydrophobicContact CB-CG 4.26Å; P221-K223 PolarHBondContact O-N 3.04Å
224	Y	65.5	Low	78.4	Confident	99 Å²	99	87 Å²	87	39%	0.388	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-104	-8.1	179.9	-62.6	-58	0	0	0	114.1	F220 S222 I247	F220-Y224 HydrophobicContact CD1-CD2 4.5Å; F220-Y224 AromaticContact CE1-CD2 3.55Å; F220-Y224 HydrophobicContact CE1-CD2 3.55Å; F220-Y224 HydrophobicContact CE1-CE2 4.4Å; F220-Y224 HydrophobicContact CE1-CG 4.21Å; F220-Y224 AromaticContact CZ-CD2 3.86Å; F220-Y224 HydrophobicContact CZ-CD2 3.86Å; F220-Y224 HydrophobicContact CZ-CE2 4.31Å; S222-Y224 PolarHBondContact O-N 2.93Å; Y224-I247 HydrophobicContact CD1-CD1 3.43Å; Y224-I247 VanDerWaalsContact CD1-CD1 3.43Å; Y224-I247 HydrophobicContact CE1-CD1 4.29Å; Y224-I247 HydrophobicContact CG-CD1 3.62Å
225	T	59.8	Low	78.2	Confident	34 Å²	34	87.1 Å²	87.1	21%	0.209	46%	0.456	C	S	.	.	S	Bend	trans	-118.6	133.3	178.2	55.8	0	0	0	0	110.2	S222 K227 I233 L239	S222-T225 PolarHBondContact O-N 3.21Å; S222-T225 PolarHBondContact O-OG1 2.81Å; T225-K227 PolarHBondContact O-N 3.21Å; T225-I233 HydrophobicContact CG2-CD1 3.6Å; T225-L239 HydrophobicContact CG2-CD1 3.64Å
226	T	56.9	Low	78.1	Confident	140 Å²	140	85.2 Å²	85.2	86%	0.859	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	128	-177.8	47	0	0	0	0	111.1
227	K	54.1	Low	78	Confident	206 Å²	206	88.5 Å²	88.5	90%	0.896	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	46.6	165	-57.4	-179.8	176.8	177.1	0	117.7	T225	T225-K227 PolarHBondContact O-N 3.21Å
228	S	53.8	Low	78.1	Confident	54 Å²	54	86 Å²	86	38%	0.378	45%	0.449	S	S	.	.			trans	-96.8	134.1	157.7	-173.3	0	0	0	0	110.7	S230	S228-S230 PolarHBondContact O-N 3.4Å; S228-S230 WeakPolarHBondContact OG-CB 3.38Å; S228-S230 PolarHBondContact OG-N 3.36Å
229	Y	63.1	Low	78.1	Confident	254 Å²	254	86.2 Å²	86.2	100%	0.996	45%	0.448	S	S	*	.	S	Bend	trans	-73.9	-11.3	169	-70.4	-82.4	0	0	0	112.3
230	S	71.6	Confident	78.1	Confident	58 Å²	58	83.7 Å²	83.7	41%	0.406	43%	0.426	S	S	.	.	S	Bend	trans	-89.3	149.7	175.9	176.3	0	0	0	0	111.3	S222 S228 S232	S222-S230 WeakPolarHBondContact CB-O 3.39Å; S222-S230 PolarHBondContact OG-O 3.04Å; S228-S230 PolarHBondContact O-N 3.4Å; S228-S230 WeakPolarHBondContact OG-CB 3.38Å; S228-S230 PolarHBondContact OG-N 3.36Å; S230-S232 WeakPolarHBondContact CB-O 3.5Å; S230-S232 PolarHBondContact O-N 2.86Å; S230-S232 PolarHBondContact OG-N 2.84Å; S230-S232 PolarHBondContact OG-O 2.79Å
231	N	79.9	Confident	78.2	Confident	150 Å²	150	89.2 Å²	89.2	80%	0.802	46%	0.456	S	S	*	.	S	Bend	trans	-70.9	-15.3	173.3	-73	-22.1	0	0	0	113.3	S222	S222-N231 PolarHBondContact N-O 2.83Å; S222-N231 WeakPolarHBondContact OG-CA 3.23Å; S222-N231 PolarHBondContact OG-O 2.99Å
232	S	83.8	Confident	78.5	Confident	55 Å²	55	88.9 Å²	88.9	39%	0.385	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	153.5	179	56.4	0	0	0	0	112.1	F220 S230	F220-S232 CarbonylContact O-C 3.57Å; F220-S232 WeakPolarHBondContact O-CA 3.44Å; F220-S232 WeakPolarHBondContact O-CB 3.38Å; S230-S232 WeakPolarHBondContact CB-O 3.5Å; S230-S232 PolarHBondContact O-N 2.86Å; S230-S232 PolarHBondContact OG-N 2.84Å; S230-S232 PolarHBondContact OG-O 2.79Å
233	I	86.9	Confident	79.2	Confident	36 Å²	36	92.2 Å²	92.2	19%	0.185	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	150.3	167	62.2	172.1	0	0	0	109	F220 T225 L235 L239	F220-I233 HydrophobicContact CB-CG1 4.05Å; F220-I233 HydrophobicContact CD1-CD1 4.41Å; F220-I233 HydrophobicContact CD1-CG1 4.44Å; F220-I233 PolarHBondContact N-O 3.47Å; F220-I233 PolarHBondContact O-N 2.99Å; T225-I233 HydrophobicContact CG2-CD1 3.6Å; I233-L235 HydrophobicContact CD1-CD2 3.68Å; I233-L235 HydrophobicContact CG1-CD2 4.15Å; I233-L239 HydrophobicContact CD1-CD1 4.45Å
234	E	91	Very high	80.1	Confident	147 Å²	147	87 Å²	87	69%	0.687	45%	0.451	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	115	170.4	-71.4	-176.8	174.2	0	0	109.1	V236	E234-V236 PolarHBondContact O-N 2.82Å
235	L	91.6	Very high	81.3	Confident	5 Å²	5	82.4 Å²	82.4	3%	0.026	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	117.1	175.2	-61.9	179.2	0	0	0	109.5	T217 V218 F220 I233 L239 T251 A254 Y255	T217-L235 WeakPolarHBondContact CA-O 3.42Å; V218-L235 HydrophobicContact CB-CB 4.47Å; V218-L235 PolarHBondContact N-O 2.98Å; V218-L235 WeakPolarHBondContact O-CB 3.25Å; V218-L235 PolarHBondContact O-N 2.77Å; F220-L235 HydrophobicContact CB-CD1 3.57Å; F220-L235 HydrophobicContact CB-CD2 4.35Å; F220-L235 HydrophobicContact CB-CG 3.7Å; F220-L235 HydrophobicContact CD2-CD1 3.92Å; F220-L235 HydrophobicContact CG-CD1 3.77Å; F220-L235 HydrophobicContact CG-CG 4.33Å; I233-L235 HydrophobicContact CD1-CD2 3.68Å; I233-L235 HydrophobicContact CG1-CD2 4.15Å; L235-L239 HydrophobicContact CD2-CG 4.31Å; L235-T251 HydrophobicContact CD1-CG2 4.14Å; L235-T251 HydrophobicContact CD2-CG2 4.47Å; L235-A254 HydrophobicContact CD1-CB 4.49Å; L235-Y255 HydrophobicContact CB-CD2 4.36Å
236	V	91.6	Very high	82.7	Confident	91 Å²	91	81.7 Å²	81.7	55%	0.552	43%	0.429	S	S	*	.	S	Bend	trans	-92.4	-14.3	165.8	-65.2	0	0	0	0	112.4	T217 E234 Y255	T217-V236 HydrophobicContact CG2-CG1 3.81Å; E234-V236 PolarHBondContact O-N 2.82Å; V236-Y255 VanDerWaalsContact C-CE2 3.49Å; V236-Y255 WeakPolarHBondContact O-CE2 3.38Å; V236-Y255 VanDerWaalsContact O-CZ 3.3Å; V236-Y255 PolarHBondContact O-OH 2.88Å
237	H	92.2	Very high	84.4	Confident	111 Å²	111	75.3 Å²	75.3	51%	0.514	39%	0.389	S	S	.	.	S	Bend	trans	-159.7	164.3	172.5	56.7	76.9	0	0	0	109.4
238	P	94.3	Very high	86.3	Confident	10 Å²	10	65.5 Å²	65.5	7%	0.065	35%	0.347	C	S	.	.			trans	-64.1	153.1	171.7	-17.6	31.3	0	0	0	112	S240 Y252 Y255 Y256	P238-S240 PolarHBondContact O-N 3.37Å; P238-Y252 HydrophobicContact CB-CD2 4.47Å; P238-Y252 HydrophobicContact CG-CD2 4.22Å; P238-Y255 HydrophobicContact CG-CD1 3.76Å; P238-Y255 HydrophobicContact CG-CG 4.13Å; P238-Y256 HydrophobicContact CG-CD2 4.15Å; P238-Y256 HydrophobicContact CG-CE2 3.65Å
239	L	92.7	Very high	88.1	Confident	35 Å²	35	64 Å²	64	18%	0.183	33%	0.334	C	S	.	.			trans	-86.2	62.1	174.1	-58.4	-177	0	0	0	110.1	T225 I233 L235 D241 H242 I247 T251	T225-L239 HydrophobicContact CG2-CD1 3.64Å; I233-L239 HydrophobicContact CD1-CD1 4.45Å; L235-L239 HydrophobicContact CD2-CG 4.31Å; L239-D241 PolarHBondContact O-N 3.38Å; L239-H242 HydrophobicContact CB-CB 4.4Å; L239-H242 WeakPolarHBondContact O-CB 3.47Å; L239-H242 PolarHBondContact O-N 3.02Å; L239-I247 HydrophobicContact CB-CG2 4.49Å; L239-I247 HydrophobicContact CD1-CG2 4.23Å; L239-T251 HydrophobicContact CB-CG2 4.18Å; L239-T251 HydrophobicContact CD1-CG2 4.01Å; L239-T251 HydrophobicContact CG-CG2 3.98Å; L239-T251 PolarHBondContact N-OG1 3.31Å; L239-T251 VanDerWaalsContact N-OG1 3.09Å
240	S	92.8	Very high	89.6	Confident	23 Å²	23	53.6 Å²	53.6	16%	0.161	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-13.5	-168.7	-54.7	0	0	0	0	114.6	P238 R248 Y356	P238-S240 PolarHBondContact O-N 3.37Å; S240-R248 VanDerWaalsContact O-CD 3.23Å; S240-R248 WeakPolarHBondContact O-CD 3.21Å; S240-Y356 VanDerWaalsContact O-CB 3.26Å; S240-Y356 WeakPolarHBondContact O-CB 3.48Å; S240-Y356 PolarHBondContact O-N 2.69Å
241	D	90.6	Very high	90.7	Very high	129 Å²	129	50.9 Å²	50.9	69%	0.69	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-5.4	178.6	64.4	-25.3	0	0	0	113	L239	L239-D241 PolarHBondContact O-N 3.38Å
242	H	91.4	Very high	91.5	Very high	55 Å²	55	44.4 Å²	44.4	26%	0.255	24%	0.244	S	C	.	.			trans	-62.9	136	-176.3	-167.8	-87.4	0	0	0	111.8	L239 D244 I247 R248	L239-H242 HydrophobicContact CB-CB 4.4Å; L239-H242 WeakPolarHBondContact O-CB 3.47Å; L239-H242 PolarHBondContact O-N 3.02Å; H242-D244 VanDerWaalsContact C-N 3.3Å; H242-D244 VanDerWaalsContact CE1-CB 3.48Å; H242-D244 WeakPolarHBondContact CE1-CB 3.46Å; H242-D244 WeakPolarHBondContact ND1-CB 3.32Å; H242-D244 PolarHBondContact ND1-N 3.35Å; H242-D244 PolarHBondContact O-N 3.42Å; H242-I247 HydrophobicContact CB-CB 4.38Å; H242-I247 HydrophobicContact CB-CG2 4.16Å; H242-I247 WeakPolarHBondContact ND1-CB 3.21Å; H242-R248 HydrophobicContact CB-CG 4.12Å; H242-R248 VanDerWaalsContact O-CD 3.24Å; H242-R248 WeakPolarHBondContact O-CD 3.35Å; H242-R248 VanDerWaalsContact O-CG 3.23Å; H242-R248 WeakPolarHBondContact O-CG 3.45Å; H242-R248 PolarHBondContact O-NH1 2.93Å
243	P	88.9	Confident	92	Very high	88 Å²	88	44.9 Å²	44.9	57%	0.571	24%	0.24	S	C	*	.	S	Bend	trans	-66	-29	-175.8	24.5	-35	0	0	0	114	P245 R248 S331	P243-P245 WeakPolarHBondContact O-CD 3.39Å; P243-R248 PolarHBondContact O-NH1 3.18Å; P243-R248 VanDerWaalsContact O-NH1 3.1Å; P243-S331 PolarHBondContact O-OG 2.94Å
244	D	89.8	Confident	92.3	Very high	48 Å²	48	44.4 Å²	44.4	26%	0.257	24%	0.242	S	C	.	.	S	Bend	trans	-82.6	117.2	176.8	-171.5	-24.3	0	0	0	111.4	H242 S246 I247 R248	H242-D244 VanDerWaalsContact C-N 3.3Å; H242-D244 VanDerWaalsContact CE1-CB 3.48Å; H242-D244 WeakPolarHBondContact CE1-CB 3.46Å; H242-D244 WeakPolarHBondContact ND1-CB 3.32Å; H242-D244 PolarHBondContact ND1-N 3.35Å; H242-D244 PolarHBondContact O-N 3.42Å; D244-S246 PolarHBondContact O-N 3.01Å; D244-S246 WeakPolarHBondContact OD1-CB 3.49Å; D244-S246 PolarHBondContact OD1-N 3.28Å; D244-S246 PolarHBondContact OD1-OG 2.92Å; D244-S246 PolarHBondContact OD2-OG 3.42Å; D244-I247 HydrophobicContact CB-CB 4.46Å; D244-I247 HydrophobicContact CB-CG1 3.98Å; D244-I247 PolarHBondContact O-N 3.23Å; D244-I247 VanDerWaalsContact O-N 3.15Å; D244-R248 PolarHBondContact O-N 2.93Å
245	P	90.8	Very high	92.6	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	21%	0.214	C	C	.	.	H	α-helix	trans	-58.7	-31.2	178.2	21.5	-30.7	0	0	0	113.6	P243 I247 R248 L249 Y332 T335	P243-P245 WeakPolarHBondContact O-CD 3.39Å; P245-I247 VanDerWaalsContact C-N 3.29Å; P245-I247 PolarHBondContact O-N 3.04Å; P245-R248 PolarHBondContact O-N 3.39Å; P245-L249 WeakPolarHBondContact O-CB 3.38Å; P245-L249 PolarHBondContact O-N 2.65Å; P245-Y332 HydrophobicContact CB-CD1 4.1Å; P245-Y332 HydrophobicContact CB-CD2 3.97Å; P245-Y332 HydrophobicContact CB-CE1 3.71Å; P245-Y332 HydrophobicContact CB-CE2 3.58Å; P245-Y332 HydrophobicContact CB-CG 4.23Å; P245-Y332 VanDerWaalsContact CB-CZ 3.45Å; P245-Y332 HydrophobicContact CG-CD1 3.98Å; P245-Y332 HydrophobicContact CG-CD2 4.16Å; P245-Y332 HydrophobicContact CG-CE1 4.09Å; P245-Y332 HydrophobicContact CG-CE2 4.27Å; P245-Y332 HydrophobicContact CG-CG 4.03Å; P245-T335 WeakPolarHBondContact CD-OG1 3.41Å
246	S	89.7	Confident	92.8	Very high	20 Å²	20	40.1 Å²	40.1	14%	0.14	22%	0.22	C	C	.	.	H	α-helix	trans	-67.5	-31.6	179.9	69.5	0	0	0	0	112.2	D244 S250	D244-S246 PolarHBondContact O-N 3.01Å; D244-S246 WeakPolarHBondContact OD1-CB 3.49Å; D244-S246 PolarHBondContact OD1-N 3.28Å; D244-S246 PolarHBondContact OD1-OG 2.92Å; D244-S246 PolarHBondContact OD2-OG 3.42Å; S246-S250 VanDerWaalsContact O-CB 3.23Å; S246-S250 WeakPolarHBondContact O-CB 3.49Å; S246-S250 PolarHBondContact O-N 3.19Å; S246-S250 PolarHBondContact O-OG 3.43Å
247	I	91.7	Very high	93	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-75.7	-45	175.4	-56.8	-43.9	0	0	0	110.9	Y224 L239 H242 D244 P245 L249 S250 T251	Y224-I247 HydrophobicContact CD1-CD1 3.43Å; Y224-I247 VanDerWaalsContact CD1-CD1 3.43Å; Y224-I247 HydrophobicContact CE1-CD1 4.29Å; Y224-I247 HydrophobicContact CG-CD1 3.62Å; L239-I247 HydrophobicContact CB-CG2 4.49Å; L239-I247 HydrophobicContact CD1-CG2 4.23Å; H242-I247 HydrophobicContact CB-CB 4.38Å; H242-I247 HydrophobicContact CB-CG2 4.16Å; H242-I247 WeakPolarHBondContact ND1-CB 3.21Å; D244-I247 HydrophobicContact CB-CB 4.46Å; D244-I247 HydrophobicContact CB-CG1 3.98Å; D244-I247 PolarHBondContact O-N 3.23Å; D244-I247 VanDerWaalsContact O-N 3.15Å; P245-I247 VanDerWaalsContact C-N 3.29Å; P245-I247 PolarHBondContact O-N 3.04Å; I247-L249 VanDerWaalsContact C-N 3.27Å; I247-L249 PolarHBondContact O-N 3.38Å; I247-S250 WeakPolarHBondContact CA-OG 3.33Å; I247-S250 PolarHBondContact O-N 2.89Å; I247-S250 PolarHBondContact O-OG 2.91Å; I247-T251 HydrophobicContact CG2-CG2 4.14Å; I247-T251 WeakPolarHBondContact O-CB 3.22Å; I247-T251 VanDerWaalsContact O-CG2 3.29Å; I247-T251 WeakPolarHBondContact O-CG2 3.5Å; I247-T251 PolarHBondContact O-N 2.98Å; I247-T251 PolarHBondContact O-OG1 3.34Å
248	R	93.8	Very high	93.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-54.4	-49.2	173.7	-62.7	-163.7	-62.6	-88.8	6	110.6	S240 H242 P243 D244 P245 T251 Y252 S331 D353	S240-R248 VanDerWaalsContact O-CD 3.23Å; S240-R248 WeakPolarHBondContact O-CD 3.21Å; H242-R248 HydrophobicContact CB-CG 4.12Å; H242-R248 VanDerWaalsContact O-CD 3.24Å; H242-R248 WeakPolarHBondContact O-CD 3.35Å; H242-R248 VanDerWaalsContact O-CG 3.23Å; H242-R248 WeakPolarHBondContact O-CG 3.45Å; H242-R248 PolarHBondContact O-NH1 2.93Å; P243-R248 PolarHBondContact O-NH1 3.18Å; P243-R248 VanDerWaalsContact O-NH1 3.1Å; D244-R248 PolarHBondContact O-N 2.93Å; P245-R248 PolarHBondContact O-N 3.39Å; R248-T251 PolarHBondContact O-OG1 3.14Å; R248-Y252 WeakPolarHBondContact O-CB 3.32Å; R248-Y252 PolarHBondContact O-N 3.35Å; R248-S331 PolarHBondContact NH1-OG 3.3Å; R248-S331 PolarHBondContact NH2-OG 2.94Å; R248-S331 VanDerWaalsContact NH2-OG 3.16Å; R248-D353 IonicContact CZ-OD1 2.68Å; R248-D353 IonicContact NE-OD1 3.61Å; R248-D353 PolarHBondContact NE-OD1 2.89Å; R248-D353 IonicContact NH2-OD1 2.81Å; R248-D353 PolarHBondContact NH2-OD1 2.96Å
249	L	93	Very high	93.2	Very high	22 Å²	22	36.6 Å²	36.6	12%	0.115	21%	0.211	C	C	.	.	H	α-helix	trans	-65.1	-50.3	-178.3	-176.4	57.7	0	0	0	112.7	P245 I247 Y252 H253 L340 W350	P245-L249 WeakPolarHBondContact O-CB 3.38Å; P245-L249 PolarHBondContact O-N 2.65Å; I247-L249 VanDerWaalsContact C-N 3.27Å; I247-L249 PolarHBondContact O-N 3.38Å; L249-Y252 PolarHBondContact O-N 3.35Å; L249-H253 WeakPolarHBondContact CD1-CD2 3.38Å; L249-H253 VanDerWaalsContact CD1-NE2 3.27Å; L249-H253 WeakPolarHBondContact CD1-NE2 3.16Å; L249-H253 PolarHBondContact O-CD2 3.03Å; L249-H253 VanDerWaalsContact O-CD2 3.24Å; L249-H253 PolarHBondContact O-N 3.37Å; L249-L340 HydrophobicContact CD2-CD2 4.3Å; L249-W350 HydrophobicContact CD1-CE3 3.49Å; L249-W350 VanDerWaalsContact CD1-CE3 3.49Å; L249-W350 HydrophobicContact CD1-CZ3 3.52Å; L249-W350 HydrophobicContact CD2-CE3 4.41Å; L249-W350 HydrophobicContact CD2-CZ3 3.87Å; L249-W350 HydrophobicContact CG-CZ3 4.34Å
250	S	93.3	Very high	93.3	Very high	37 Å²	37	44 Å²	44	26%	0.259	25%	0.245	S	C	.	.	H	α-helix	trans	-66.7	-39	-176.8	54.6	0	0	0	0	112.9	F220 S246 I247 A254	F220-S250 WeakPolarHBondContact CZ-OG 3.31Å; S246-S250 VanDerWaalsContact O-CB 3.23Å; S246-S250 WeakPolarHBondContact O-CB 3.49Å; S246-S250 PolarHBondContact O-N 3.19Å; S246-S250 PolarHBondContact O-OG 3.43Å; I247-S250 WeakPolarHBondContact CA-OG 3.33Å; I247-S250 PolarHBondContact O-N 2.89Å; I247-S250 PolarHBondContact O-OG 2.91Å; S250-A254 VanDerWaalsContact O-CB 3.27Å; S250-A254 WeakPolarHBondContact O-CB 3.3Å; S250-A254 PolarHBondContact O-N 3.35Å
251	T	95.3	Very high	93.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-70.4	-37.2	175.8	59.5	0	0	0	0	111.7	F220 L235 L239 I247 R248 A254 Y255	F220-T251 HydrophobicContact CD1-CG2 4.15Å; F220-T251 HydrophobicContact CE1-CG2 3.74Å; F220-T251 HydrophobicContact CE2-CG2 4.16Å; F220-T251 HydrophobicContact CZ-CG2 3.75Å; L235-T251 HydrophobicContact CD1-CG2 4.14Å; L235-T251 HydrophobicContact CD2-CG2 4.47Å; L239-T251 HydrophobicContact CB-CG2 4.18Å; L239-T251 HydrophobicContact CD1-CG2 4.01Å; L239-T251 HydrophobicContact CG-CG2 3.98Å; L239-T251 PolarHBondContact N-OG1 3.31Å; L239-T251 VanDerWaalsContact N-OG1 3.09Å; I247-T251 HydrophobicContact CG2-CG2 4.14Å; I247-T251 WeakPolarHBondContact O-CB 3.22Å; I247-T251 VanDerWaalsContact O-CG2 3.29Å; I247-T251 WeakPolarHBondContact O-CG2 3.5Å; I247-T251 PolarHBondContact O-N 2.98Å; I247-T251 PolarHBondContact O-OG1 3.34Å; R248-T251 PolarHBondContact O-OG1 3.14Å; T251-A254 PolarHBondContact O-N 2.99Å; T251-Y255 VanDerWaalsContact O-CB 3.25Å; T251-Y255 WeakPolarHBondContact O-CB 3.47Å; T251-Y255 PolarHBondContact O-N 3.45Å
252	Y	95.9	Very high	93.8	Very high	15 Å²	15	39.5 Å²	39.5	6%	0.059	23%	0.23	C	C	.	.	H	α-helix	trans	-60.5	-52.2	173	-176.2	-81.8	0	0	0	111.7	P238 R248 L249 A254 Y255 Y256 P351 H639 L640	P238-Y252 HydrophobicContact CB-CD2 4.47Å; P238-Y252 HydrophobicContact CG-CD2 4.22Å; R248-Y252 WeakPolarHBondContact O-CB 3.32Å; R248-Y252 PolarHBondContact O-N 3.35Å; L249-Y252 PolarHBondContact O-N 3.35Å; Y252-A254 VanDerWaalsContact C-N 3.35Å; Y252-A254 PolarHBondContact O-N 2.98Å; Y252-Y255 PolarHBondContact O-N 2.93Å; Y252-Y256 HydrophobicContact CD1-CD2 4.1Å; Y252-Y256 AromaticContact CD2-CD2 3.69Å; Y252-Y256 HydrophobicContact CD2-CD2 3.69Å; Y252-Y256 AromaticContact CD2-CE2 3.82Å; Y252-Y256 HydrophobicContact CD2-CE2 3.82Å; Y252-Y256 AromaticContact CE1-CD2 3.83Å; Y252-Y256 HydrophobicContact CE1-CD2 3.83Å; Y252-Y256 HydrophobicContact CE1-CG 4.5Å; Y252-Y256 AromaticContact CE2-CD2 3.42Å; Y252-Y256 HydrophobicContact CE2-CD2 3.42Å; Y252-Y256 VanDerWaalsContact CE2-CD2 3.42Å; Y252-Y256 AromaticContact CE2-CE2 3.45Å; Y252-Y256 HydrophobicContact CE2-CE2 3.45Å; Y252-Y256 VanDerWaalsContact CE2-CE2 3.45Å; Y252-Y256 HydrophobicContact CG-CD2 4.01Å; Y252-Y256 AromaticContact CZ-CD2 3.48Å; Y252-Y256 VanDerWaalsContact CZ-CD2 3.48Å; Y252-Y256 AromaticContact CZ-CE2 3.91Å; Y252-Y256 PolarHBondContact O-N 3.07Å; Y252-P351 HydrophobicContact CE1-CB 4.17Å; Y252-P351 HydrophobicContact CE2-CB 3.77Å; Y252-P351 VanDerWaalsContact CZ-CB 3.46Å; Y252-P351 WeakPolarHBondContact OH-CB 3.4Å; Y252-H639 WeakPolarHBondContact CE1-O 3.17Å; Y252-L640 PolarHBondContact OH-O 3.48Å
253	H	94.5	Very high	93.9	Very high	64 Å²	64	38 Å²	38	30%	0.296	22%	0.224	S	C	.	.	H	α-helix	trans	-63.2	-39	178.7	-81.8	-70.5	0	0	0	112.9	L249 A257 A638	L249-H253 WeakPolarHBondContact CD1-CD2 3.38Å; L249-H253 VanDerWaalsContact CD1-NE2 3.27Å; L249-H253 WeakPolarHBondContact CD1-NE2 3.16Å; L249-H253 PolarHBondContact O-CD2 3.03Å; L249-H253 VanDerWaalsContact O-CD2 3.24Å; L249-H253 PolarHBondContact O-N 3.37Å; H253-A257 WeakPolarHBondContact O-CB 3.31Å; H253-A257 PolarHBondContact O-N 2.91Å; H253-A638 PolarHBondContact CE1-O 2.95Å
254	A	94.5	Very high	94.2	Very high	27 Å²	27	39.1 Å²	39.1	22%	0.223	22%	0.219	C	C	.	.	H	α-helix	trans	-64.1	-46.7	176.5	0	0	0	0	0	110.9	V218 F220 L235 S250 T251 Y252	V218-A254 HydrophobicContact CG1-CB 4.22Å; F220-A254 HydrophobicContact CD2-CB 3.82Å; F220-A254 HydrophobicContact CE2-CB 4.09Å; L235-A254 HydrophobicContact CD1-CB 4.49Å; S250-A254 VanDerWaalsContact O-CB 3.27Å; S250-A254 WeakPolarHBondContact O-CB 3.3Å; S250-A254 PolarHBondContact O-N 3.35Å; T251-A254 PolarHBondContact O-N 2.99Å; Y252-A254 VanDerWaalsContact C-N 3.35Å; Y252-A254 PolarHBondContact O-N 2.98Å
255	Y	96.3	Very high	94.6	Very high	24 Å²	24	37 Å²	37	9%	0.094	21%	0.209	C	C	.	.	H	α-helix	trans	-68	-46.3	-178	-171.9	-105.9	0	0	0	112.1	V218 L235 V236 P238 T251 Y252 A257 R646	V218-Y255 HydrophobicContact CG2-CD2 4.35Å; L235-Y255 HydrophobicContact CB-CD2 4.36Å; V236-Y255 VanDerWaalsContact C-CE2 3.49Å; V236-Y255 WeakPolarHBondContact O-CE2 3.38Å; V236-Y255 VanDerWaalsContact O-CZ 3.3Å; V236-Y255 PolarHBondContact O-OH 2.88Å; P238-Y255 HydrophobicContact CG-CD1 3.76Å; P238-Y255 HydrophobicContact CG-CG 4.13Å; T251-Y255 VanDerWaalsContact O-CB 3.25Å; T251-Y255 WeakPolarHBondContact O-CB 3.47Å; T251-Y255 PolarHBondContact O-N 3.45Å; Y252-Y255 PolarHBondContact O-N 2.93Å; Y255-A257 VanDerWaalsContact C-N 3.31Å; Y255-A257 PolarHBondContact O-N 3.37Å; Y255-R646 VanDerWaalsContact CZ-CD 3.5Å; Y255-R646 PolarHBondContact O-NE 3.49Å; Y255-R646 PolarHBondContact O-NH2 3.33Å; Y255-R646 VanDerWaalsContact O-NH2 3.12Å
256	Y	96.6	Very high	94.9	Very high	37 Å²	37	37 Å²	37	15%	0.145	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	25.2	178.4	-64.7	-63.8	0	0	0	113.5	P238 Y252 G641 A642 W643 R646	P238-Y256 HydrophobicContact CG-CD2 4.15Å; P238-Y256 HydrophobicContact CG-CE2 3.65Å; Y252-Y256 HydrophobicContact CD1-CD2 4.1Å; Y252-Y256 AromaticContact CD2-CD2 3.69Å; Y252-Y256 HydrophobicContact CD2-CD2 3.69Å; Y252-Y256 AromaticContact CD2-CE2 3.82Å; Y252-Y256 HydrophobicContact CD2-CE2 3.82Å; Y252-Y256 AromaticContact CE1-CD2 3.83Å; Y252-Y256 HydrophobicContact CE1-CD2 3.83Å; Y252-Y256 HydrophobicContact CE1-CG 4.5Å; Y252-Y256 AromaticContact CE2-CD2 3.42Å; Y252-Y256 HydrophobicContact CE2-CD2 3.42Å; Y252-Y256 VanDerWaalsContact CE2-CD2 3.42Å; Y252-Y256 AromaticContact CE2-CE2 3.45Å; Y252-Y256 HydrophobicContact CE2-CE2 3.45Å; Y252-Y256 VanDerWaalsContact CE2-CE2 3.45Å; Y252-Y256 HydrophobicContact CG-CD2 4.01Å; Y252-Y256 AromaticContact CZ-CD2 3.48Å; Y252-Y256 VanDerWaalsContact CZ-CD2 3.48Å; Y252-Y256 AromaticContact CZ-CE2 3.91Å; Y252-Y256 PolarHBondContact O-N 3.07Å; Y256-G641 CarbonylContact O-C 3.56Å; Y256-G641 WeakPolarHBondContact O-CA 3.16Å; Y256-A642 PolarHBondContact O-N 3.1Å; Y256-W643 HydrophobicContact CD1-CB 4.19Å; Y256-W643 AromaticContact CD1-CD1 3.95Å; Y256-W643 HydrophobicContact CD1-CG 4.33Å; Y256-W643 HydrophobicContact CE1-CB 4.38Å; Y256-W643 AromaticContact CE1-CD1 3.37Å; Y256-W643 HydrophobicContact CE1-CG 4.04Å; Y256-W643 AromaticContact CE1-NE1 3.99Å; Y256-W643 AromaticContact CE2-CD1 4Å; Y256-W643 AromaticContact CZ-CD1 3.4Å; Y256-W643 VanDerWaalsContact CZ-CD1 3.4Å; Y256-W643 AromaticContact CZ-NE1 3.82Å; Y256-R646 HydrophobicContact CE1-CB 4.26Å
257	A	95.5	Very high	95.2	Very high	40 Å²	40	38.2 Å²	38.2	33%	0.331	21%	0.212	S	C	.	.	S	Bend	trans	-64.5	153.8	165.1	0	0	0	0	0	110.3	H253 Y255 V259	H253-A257 WeakPolarHBondContact O-CB 3.31Å; H253-A257 PolarHBondContact O-N 2.91Å; Y255-A257 VanDerWaalsContact C-N 3.31Å; Y255-A257 PolarHBondContact O-N 3.37Å; A257-V259 PolarHBondContact O-N 2.84Å
258	P	95.3	Very high	95.4	Very high	69 Å²	69	40.9 Å²	40.9	45%	0.448	22%	0.224	S	C	.	.			trans	-57.1	112.9	174.3	-23.6	34.9	0	0	0	111.6	W613 P614 A642	P258-W613 HydrophobicContact CG-CE3 4.1Å; P258-W613 HydrophobicContact CG-CZ3 3.94Å; P258-P614 HydrophobicContact CB-CG 4.14Å; P258-P614 HydrophobicContact CG-CG 4.25Å; P258-A642 HydrophobicContact CB-CB 4.22Å; P258-A642 HydrophobicContact CG-CB 4.17Å
259	V	95.7	Very high	95.6	Very high	29 Å²	29	40.9 Å²	40.9	18%	0.176	22%	0.224	C	C	.	.			trans	-70.6	128	171.4	-176.8	0	0	0	0	109.5	A257 G261 Q262 H645	A257-V259 PolarHBondContact O-N 2.84Å; V259-G261 PolarHBondContact O-N 3.02Å; V259-Q262 HydrophobicContact CB-CB 3.76Å; V259-Q262 HydrophobicContact CB-CG 4.21Å; V259-Q262 HydrophobicContact CG1-CB 3.99Å; V259-Q262 HydrophobicContact CG1-CG 4.45Å; V259-Q262 VanDerWaalsContact O-CB 3.28Å; V259-Q262 WeakPolarHBondContact O-CB 3.19Å; V259-Q262 PolarHBondContact O-N 3.2Å; V259-H645 HydrophobicContact CG2-CB 4.36Å; V259-H645 PolarHBondContact N-ND1 3.01Å; V259-H645 VanDerWaalsContact N-ND1 3.17Å; V259-H645 PolarHBondContact O-CE1 3.16Å; V259-H645 PolarHBondContact O-ND1 3.36Å
260	E	94.5	Very high	95.8	Very high	191 Å²	191	40.1 Å²	40.1	89%	0.893	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	132.3	-177.4	-173.1	177.8	178.2	0	0	111.7	Q262	E260-Q262 PolarHBondContact O-N 3.31Å
261	G	95.6	Very high	96	Very high	49 Å²	49	40.5 Å²	40.5	51%	0.505	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	-9.5	178.8	0	0	0	0	0	115.7	V259 K264 C265	V259-G261 PolarHBondContact O-N 3.02Å; G261-K264 PolarHBondContact O-N 2.94Å; G261-C265 WeakPolarHBondContact O-CB 3.32Å; G261-C265 PolarHBondContact O-N 3.01Å
262	Q	97	Very high	96.1	Very high	8 Å²	8	40.7 Å²	40.7	4%	0.037	22%	0.224	C	C	.	.	H	α-helix	trans	-70.4	-41.1	-172.2	-167	71.3	-2.9	0	0	113	F210 V259 E260 K264 C265 L266 H645	F210-Q262 HydrophobicContact CD2-CG 4.11Å; F210-Q262 VanDerWaalsContact CD2-NE2 3.29Å; F210-Q262 HydrophobicContact CE2-CG 3.84Å; F210-Q262 PolarHBondContact O-NE2 3.31Å; V259-Q262 HydrophobicContact CB-CB 3.76Å; V259-Q262 HydrophobicContact CB-CG 4.21Å; V259-Q262 HydrophobicContact CG1-CB 3.99Å; V259-Q262 HydrophobicContact CG1-CG 4.45Å; V259-Q262 VanDerWaalsContact O-CB 3.28Å; V259-Q262 WeakPolarHBondContact O-CB 3.19Å; V259-Q262 PolarHBondContact O-N 3.2Å; E260-Q262 PolarHBondContact O-N 3.31Å; Q262-K264 VanDerWaalsContact C-N 3.29Å; Q262-K264 PolarHBondContact O-N 3.29Å; Q262-C265 WeakPolarHBondContact O-CB 3.48Å; Q262-C265 PolarHBondContact O-N 3.26Å; Q262-L266 PolarHBondContact O-N 3Å; Q262-H645 HydrophobicContact CB-CB 4.3Å; Q262-H645 WeakPolarHBondContact CB-ND1 3.34Å; Q262-H645 HydrophobicContact CG-CB 3.65Å; Q262-H645 PolarHBondContact NE2-O 3.05Å
263	E	95.4	Very high	96.1	Very high	25 Å²	25	40.8 Å²	40.8	12%	0.117	23%	0.225	C	C	.	.	H	α-helix	trans	-59.4	-43.7	173	-172.8	73.7	163.9	0	0	110.5	C265 L266 E267 P614 A615 S616 H645	E263-C265 VanDerWaalsContact C-N 3.32Å; E263-C265 PolarHBondContact O-N 3.23Å; E263-L266 WeakPolarHBondContact O-CB 3.34Å; E263-L266 PolarHBondContact O-N 2.67Å; E263-E267 WeakPolarHBondContact O-CG 3.13Å; E263-E267 PolarHBondContact O-N 3.35Å; E263-P614 HydrophobicContact CB-CB 4.42Å; E263-P614 HydrophobicContact CG-CB 4.12Å; E263-A615 WeakPolarHBondContact OE1-CA 3.5Å; E263-A615 WeakPolarHBondContact OE1-CB 3.35Å; E263-A615 PolarHBondContact OE1-N 2.74Å; E263-S616 PolarHBondContact OE1-N 2.81Å; E263-S616 PolarHBondContact OE1-OG 2.97Å; E263-S616 VanDerWaalsContact OE2-CB 3.25Å; E263-S616 WeakPolarHBondContact OE2-CB 3.47Å; E263-S616 PolarHBondContact OE2-OG 3.45Å; E263-H645 IonicContact OE2-CD2 2.88Å; E263-H645 IonicContact OE2-NE2 2.8Å; E263-H645 PolarHBondContact OE2-NE2 3.07Å
264	K	95.2	Very high	96.2	Very high	110 Å²	110	38.4 Å²	38.4	48%	0.478	21%	0.214	S	C	.	.	H	α-helix	trans	-65.6	-38.4	178.4	-172.1	57.4	179.7	178	0	111.6	G261 Q262 L266 E267 Q268	G261-K264 PolarHBondContact O-N 2.94Å; Q262-K264 VanDerWaalsContact C-N 3.29Å; Q262-K264 PolarHBondContact O-N 3.29Å; K264-L266 VanDerWaalsContact C-N 3.32Å; K264-E267 WeakPolarHBondContact CD-OE2 2.94Å; K264-E267 IonicContact NZ-OE2 2.71Å; K264-E267 PolarHBondContact NZ-OE2 3.38Å; K264-E267 PolarHBondContact O-N 3.02Å; K264-Q268 VanDerWaalsContact O-CG 3.31Å; K264-Q268 WeakPolarHBondContact O-CG 3.45Å; K264-Q268 PolarHBondContact O-N 3.03Å
265	C	97.3	Very high	96.3	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.034	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-42.8	174.5	-163.7	0	0	0	0	111.3	Y206 F210 G261 Q262 E263 Q268 L269	Y206-C265 PolarHBondContact O-SG 2.71Å; Y206-C265 VanDerWaalsContact O-SG 3.35Å; F210-C265 HydrophobicContact CD2-CB 4.43Å; G261-C265 WeakPolarHBondContact O-CB 3.32Å; G261-C265 PolarHBondContact O-N 3.01Å; Q262-C265 WeakPolarHBondContact O-CB 3.48Å; Q262-C265 PolarHBondContact O-N 3.26Å; E263-C265 VanDerWaalsContact C-N 3.32Å; E263-C265 PolarHBondContact O-N 3.23Å; C265-Q268 PolarHBondContact O-N 2.67Å; C265-L269 WeakPolarHBondContact O-CB 3.48Å; C265-L269 PolarHBondContact O-N 2.99Å
266	L	97	Very high	96.1	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-47.3	175.2	-175.4	60.4	0	0	0	111.9	F210 Q262 E263 K264 Q268 L269 L270 L650	F210-L266 HydrophobicContact CD2-CB 4.1Å; F210-L266 HydrophobicContact CD2-CD1 4.49Å; F210-L266 HydrophobicContact CE2-CB 3.74Å; F210-L266 HydrophobicContact CE2-CD1 4.03Å; F210-L266 HydrophobicContact CE2-CD2 4.44Å; F210-L266 HydrophobicContact CE2-CG 4.28Å; F210-L266 HydrophobicContact CZ-CD1 4.15Å; Q262-L266 PolarHBondContact O-N 3Å; E263-L266 WeakPolarHBondContact O-CB 3.34Å; E263-L266 PolarHBondContact O-N 2.67Å; K264-L266 VanDerWaalsContact C-N 3.32Å; L266-Q268 VanDerWaalsContact C-N 3.3Å; L266-Q268 PolarHBondContact O-N 2.93Å; L266-L269 WeakPolarHBondContact O-CB 3.46Å; L266-L269 PolarHBondContact O-N 3.47Å; L266-L270 HydrophobicContact CD1-CD1 4.06Å; L266-L270 HydrophobicContact CD1-CG 4.13Å; L266-L270 HydrophobicContact CG-CD1 3.89Å; L266-L270 HydrophobicContact CG-CG 4.37Å; L266-L270 VanDerWaalsContact O-CG 3.28Å; L266-L270 WeakPolarHBondContact O-CG 3.32Å; L266-L270 PolarHBondContact O-N 3.11Å; L266-L650 HydrophobicContact CD1-CD1 3.98Å; L266-L650 HydrophobicContact CD2-CD1 4.28Å
267	E	95.9	Very high	96	Very high	46 Å²	46	37.2 Å²	37.2	22%	0.215	21%	0.206	C	C	.	.	H	α-helix	trans	-55.4	-44.8	176	-72.2	175.5	-175.6	0	0	112.1	E263 K264 S271 I595 L599	E263-E267 WeakPolarHBondContact O-CG 3.13Å; E263-E267 PolarHBondContact O-N 3.35Å; K264-E267 WeakPolarHBondContact CD-OE2 2.94Å; K264-E267 IonicContact NZ-OE2 2.71Å; K264-E267 PolarHBondContact NZ-OE2 3.38Å; K264-E267 PolarHBondContact O-N 3.02Å; E267-S271 VanDerWaalsContact O-CB 3.3Å; E267-S271 WeakPolarHBondContact O-CB 3.48Å; E267-S271 PolarHBondContact O-N 3.35Å; E267-I595 HydrophobicContact CB-CG1 4.24Å; E267-I595 HydrophobicContact CG-CD1 4.49Å; E267-I595 HydrophobicContact CG-CG1 4.16Å; E267-L599 HydrophobicContact CG-CD1 4.01Å
268	Q	97	Very high	95.9	Very high	60 Å²	60	39.8 Å²	39.8	28%	0.28	21%	0.211	S	C	.	.	H	α-helix	trans	-68.8	-39.6	179.9	-65.7	-56.7	-69	0	0	112.3	Y206 K264 C265 L266 A272	Y206-Q268 HydrophobicContact CD1-CB 3.78Å; Y206-Q268 HydrophobicContact CD1-CG 4.49Å; Y206-Q268 HydrophobicContact CD2-CB 3.64Å; Y206-Q268 HydrophobicContact CE1-CB 3.64Å; Y206-Q268 HydrophobicContact CE1-CG 3.92Å; Y206-Q268 HydrophobicContact CE2-CB 3.52Å; Y206-Q268 HydrophobicContact CE2-CG 4.2Å; Y206-Q268 HydrophobicContact CG-CB 3.78Å; K264-Q268 VanDerWaalsContact O-CG 3.31Å; K264-Q268 WeakPolarHBondContact O-CG 3.45Å; K264-Q268 PolarHBondContact O-N 3.03Å; C265-Q268 PolarHBondContact O-N 2.67Å; L266-Q268 VanDerWaalsContact C-N 3.3Å; L266-Q268 PolarHBondContact O-N 2.93Å; Q268-A272 VanDerWaalsContact O-CB 3.28Å; Q268-A272 WeakPolarHBondContact O-CB 3.29Å; Q268-A272 PolarHBondContact O-N 2.87Å
269	L	97.7	Very high	95.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-58.2	-50.8	173.3	171.6	60.2	0	0	0	111.3	A203 C265 L266 A272 R273 V651	A203-L269 HydrophobicContact CB-CD1 4.25Å; A203-L269 WeakPolarHBondContact O-CD1 3.42Å; C265-L269 WeakPolarHBondContact O-CB 3.48Å; C265-L269 PolarHBondContact O-N 2.99Å; L266-L269 WeakPolarHBondContact O-CB 3.46Å; L266-L269 PolarHBondContact O-N 3.47Å; L269-A272 PolarHBondContact O-N 2.93Å; L269-R273 HydrophobicContact CD1-CG 4.28Å; L269-R273 WeakPolarHBondContact O-CB 3.41Å; L269-R273 WeakPolarHBondContact O-CG 3.47Å; L269-R273 PolarHBondContact O-N 3.24Å; L269-V651 HydrophobicContact CD2-CG2 3.88Å
270	L	97.5	Very high	95.3	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.037	19%	0.185	C	C	.	.	H	α-helix	trans	-66	-42.2	-177.8	-66.1	172.6	0	0	0	111.6	L266 A272 R273 H274 L590 H591 I595 L599	L266-L270 HydrophobicContact CD1-CD1 4.06Å; L266-L270 HydrophobicContact CD1-CG 4.13Å; L266-L270 HydrophobicContact CG-CD1 3.89Å; L266-L270 HydrophobicContact CG-CG 4.37Å; L266-L270 VanDerWaalsContact O-CG 3.28Å; L266-L270 WeakPolarHBondContact O-CG 3.32Å; L266-L270 PolarHBondContact O-N 3.11Å; L270-A272 PolarHBondContact O-N 3.32Å; L270-R273 PolarHBondContact O-N 2.7Å; L270-H274 WeakPolarHBondContact O-CB 3.36Å; L270-H274 PolarHBondContact O-N 2.96Å; L270-L590 HydrophobicContact CD1-CB 3.9Å; L270-L590 HydrophobicContact CD1-CD2 3.79Å; L270-L590 HydrophobicContact CD1-CG 4.27Å; L270-L590 HydrophobicContact CD2-CB 3.98Å; L270-H591 WeakPolarHBondContact CD2-NE2 3.41Å; L270-I595 HydrophobicContact CB-CD1 3.96Å; L270-I595 HydrophobicContact CD1-CD1 3.78Å; L270-L599 HydrophobicContact CD1-CD1 4.45Å
271	S	97	Very high	95.1	Very high	44 Å²	44	29.2 Å²	29.2	31%	0.308	17%	0.171	S	C	.	.	H	α-helix	trans	-59.2	-46.7	174.6	-172.6	0	0	0	0	111.6	E267 R273 H274 E275	E267-S271 VanDerWaalsContact O-CB 3.3Å; E267-S271 WeakPolarHBondContact O-CB 3.48Å; E267-S271 PolarHBondContact O-N 3.35Å; S271-R273 VanDerWaalsContact C-N 3.35Å; S271-R273 PolarHBondContact O-N 3.19Å; S271-H274 PolarHBondContact O-N 3.31Å; S271-E275 WeakPolarHBondContact O-CB 3.23Å; S271-E275 PolarHBondContact O-N 3.43Å
272	A	97	Very high	94.9	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.033	16%	0.156	C	C	.	.	H	α-helix	trans	-63.9	-39.9	178.3	0	0	0	0	0	111.8	A199 F202 A203 Q268 L269 L270 M276	A199-A272 WeakPolarHBondContact CB-O 3.42Å; F202-A272 HydrophobicContact CB-CB 3.82Å; A203-A272 HydrophobicContact CB-CB 4.02Å; Q268-A272 VanDerWaalsContact O-CB 3.28Å; Q268-A272 WeakPolarHBondContact O-CB 3.29Å; Q268-A272 PolarHBondContact O-N 2.87Å; L269-A272 PolarHBondContact O-N 2.93Å; L270-A272 PolarHBondContact O-N 3.32Å; A272-M276 VanDerWaalsContact O-CB 3.22Å; A272-M276 WeakPolarHBondContact O-CB 3.31Å; A272-M276 PolarHBondContact O-N 3.39Å
273	R	96.6	Very high	94.8	Very high	18 Å²	18	34.6 Å²	34.6	7%	0.068	18%	0.182	C	C	.	.	H	α-helix	trans	-65.9	-40.9	175.4	-80.1	-178.7	173.5	177.4	-1.3	113.3	A203 L269 L270 S271 A277 Y285 H591 L650 V651	A203-R273 HydrophobicContact CB-CG 3.9Å; L269-R273 HydrophobicContact CD1-CG 4.28Å; L269-R273 WeakPolarHBondContact O-CB 3.41Å; L269-R273 WeakPolarHBondContact O-CG 3.47Å; L269-R273 PolarHBondContact O-N 3.24Å; L270-R273 PolarHBondContact O-N 2.7Å; S271-R273 VanDerWaalsContact C-N 3.35Å; S271-R273 PolarHBondContact O-N 3.19Å; R273-A277 WeakPolarHBondContact O-CB 3.48Å; R273-A277 PolarHBondContact O-N 3.37Å; R273-Y285 HydrophobicContact CB-CD1 4.45Å; R273-Y285 HydrophobicContact CB-CD2 3.6Å; R273-Y285 HydrophobicContact CB-CE2 4.04Å; R273-Y285 HydrophobicContact CB-CG 3.82Å; R273-Y285 HydrophobicContact CG-CD2 3.94Å; R273-Y285 HydrophobicContact CG-CE2 3.83Å; R273-Y285 HydrophobicContact CG-CG 4.36Å; R273-Y285 WeakPolarHBondContact O-CD2 3.47Å; R273-H591 PolarHBondContact NH1-NE2 2.94Å; R273-L650 PolarHBondContact NH1-O 3.26Å; R273-V651 PolarHBondContact NH2-O 3.45Å
274	H	96.9	Very high	94.8	Very high	14 Å²	14	33.9 Å²	33.9	7%	0.065	18%	0.179	C	C	.	.	H	α-helix	trans	-63.8	-48.5	176	-177	66.2	0	0	0	111.1	L270 S271 M276 A277 Q278 E283	L270-H274 WeakPolarHBondContact O-CB 3.36Å; L270-H274 PolarHBondContact O-N 2.96Å; S271-H274 PolarHBondContact O-N 3.31Å; H274-M276 VanDerWaalsContact C-N 3.34Å; H274-M276 PolarHBondContact O-N 3.07Å; H274-A277 PolarHBondContact O-N 3.4Å; H274-A277 VanDerWaalsContact O-N 3.16Å; H274-Q278 PolarHBondContact NE2-NE2 2.85Å; H274-Q278 VanDerWaalsContact NE2-NE2 3.17Å; H274-Q278 PolarHBondContact NE2-OE1 3.12Å; H274-Q278 WeakPolarHBondContact O-CG 3.34Å; H274-Q278 PolarHBondContact O-N 3.41Å; H274-E283 PolarHBondContact CE1-O 2.87Å
275	E	95.4	Very high	94.9	Very high	50 Å²	50	30 Å²	30	23%	0.234	16%	0.161	C	C	.	.	H	α-helix	trans	-59.2	-44.4	177.1	-176.8	171.6	-162	0	0	111.8	Q195 A199 S271 A277 Q278 A279	Q195-E275 HydrophobicContact CG-CG 3.82Å; Q195-E275 WeakPolarHBondContact CG-OE1 3.37Å; Q195-E275 PolarHBondContact NE2-OE1 2.79Å; A199-E275 HydrophobicContact CB-CB 3.99Å; A199-E275 HydrophobicContact CB-CG 3.88Å; S271-E275 WeakPolarHBondContact O-CB 3.23Å; S271-E275 PolarHBondContact O-N 3.43Å; E275-A277 VanDerWaalsContact C-N 3.34Å; E275-A277 PolarHBondContact O-N 3.22Å; E275-Q278 PolarHBondContact O-N 3.17Å; E275-A279 VanDerWaalsContact O-CB 3.31Å; E275-A279 WeakPolarHBondContact O-CB 3.32Å; E275-A279 PolarHBondContact O-N 3.42Å
276	M	93.3	Very high	94.9	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.059	16%	0.16	C	C	.	.	H	α-helix	trans	-59.5	-43.8	175.5	-178.2	-177.3	62.4	0	0	111.8	F196 A199 A200 A272 H274 A279 A280 Y285	F196-M276 HydrophobicContact CD2-CG 3.78Å; F196-M276 WeakPolarHBondContact CD2-O 3.33Å; F196-M276 HydrophobicContact CE2-CG 3.31Å; F196-M276 HydrophobicContact CE2-SD 4.19Å; F196-M276 HydrophobicContact CZ-CG 3.87Å; F196-M276 HydrophobicContact CZ-SD 4.2Å; A199-M276 HydrophobicContact CB-CB 3.87Å; A200-M276 HydrophobicContact CB-CG 4.26Å; A200-M276 HydrophobicContact CB-SD 3.6Å; A200-M276 VanDerWaalsContact CB-SD 3.6Å; A272-M276 VanDerWaalsContact O-CB 3.22Å; A272-M276 WeakPolarHBondContact O-CB 3.31Å; A272-M276 PolarHBondContact O-N 3.39Å; H274-M276 VanDerWaalsContact C-N 3.34Å; H274-M276 PolarHBondContact O-N 3.07Å; M276-A279 PolarHBondContact O-N 3.36Å; M276-A280 WeakPolarHBondContact O-CB 3.31Å; M276-A280 PolarHBondContact O-N 3.21Å; M276-Y285 HydrophobicContact CE-CD2 3.87Å; M276-Y285 HydrophobicContact CE-CE2 3.38Å
277	A	93.5	Very high	94.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65	-44.7	178.5	0	0	0	0	0	112	R273 H274 E275 A280 G281 F282 N284	R273-A277 WeakPolarHBondContact O-CB 3.48Å; R273-A277 PolarHBondContact O-N 3.37Å; H274-A277 PolarHBondContact O-N 3.4Å; H274-A277 VanDerWaalsContact O-N 3.16Å; E275-A277 VanDerWaalsContact C-N 3.34Å; E275-A277 PolarHBondContact O-N 3.22Å; A277-A280 CarbonylContact O-C 3.57Å; A277-A280 PolarHBondContact O-N 3.38Å; A277-G281 PolarHBondContact O-N 3.14Å; A277-G281 VanDerWaalsContact O-N 3.13Å; A277-F282 CarbonylContact C-O 3.56Å; A277-F282 HydrophobicContact CB-CB 4.19Å; A277-F282 PolarHBondContact O-N 3.29Å; A277-N284 VanDerWaalsContact CB-C 3.45Å; A277-N284 WeakPolarHBondContact CB-O 3.34Å
278	Q	93.5	Very high	94.7	Very high	94 Å²	94	32 Å²	32	44%	0.439	17%	0.169	S	C	.	.	H	α-helix	trans	-61.9	-44.3	175.6	-71.9	-172	-42.4	0	0	112.2	R192 H274 E275 A280 G281 F282	R192-Q278 PolarHBondContact NH2-O 2.99Å; H274-Q278 PolarHBondContact NE2-NE2 2.85Å; H274-Q278 VanDerWaalsContact NE2-NE2 3.17Å; H274-Q278 PolarHBondContact NE2-OE1 3.12Å; H274-Q278 WeakPolarHBondContact O-CG 3.34Å; H274-Q278 PolarHBondContact O-N 3.41Å; E275-Q278 PolarHBondContact O-N 3.17Å; Q278-A280 VanDerWaalsContact C-N 3.26Å; Q278-A280 PolarHBondContact O-N 2.79Å; Q278-G281 PolarHBondContact O-N 2.89Å; Q278-F282 VanDerWaalsContact CA-O 3.28Å; Q278-F282 WeakPolarHBondContact CA-O 3.48Å; Q278-F282 PolarHBondContact N-O 3.49Å
279	A	90.6	Very high	94.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58.8	-41.7	177	0	0	0	0	0	110.8	L187 R192 Q195 F196 E275 M276 G281	L187-A279 WeakPolarHBondContact CD2-O 3.45Å; R192-A279 PolarHBondContact NE-O 2.8Å; R192-A279 PolarHBondContact NH2-O 3.39Å; Q195-A279 HydrophobicContact CG-CB 4.38Å; F196-A279 HydrophobicContact CB-CB 3.7Å; F196-A279 HydrophobicContact CD2-CB 4.22Å; F196-A279 HydrophobicContact CG-CB 4.49Å; E275-A279 VanDerWaalsContact O-CB 3.31Å; E275-A279 WeakPolarHBondContact O-CB 3.32Å; E275-A279 PolarHBondContact O-N 3.42Å; M276-A279 PolarHBondContact O-N 3.36Å; A279-G281 VanDerWaalsContact C-N 3.28Å; A279-G281 PolarHBondContact O-N 2.88Å
280	A	88.3	Confident	94.5	Very high	11 Å²	11	29.4 Å²	29.4	9%	0.091	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-7.5	175.3	0	0	0	0	0	115.3	Q186 F196 M276 A277 Q278 F282	Q186-A280 PolarHBondContact NE2-O 2.9Å; F196-A280 HydrophobicContact CD2-CB 4.04Å; F196-A280 HydrophobicContact CE2-CB 4.01Å; M276-A280 WeakPolarHBondContact O-CB 3.31Å; M276-A280 PolarHBondContact O-N 3.21Å; A277-A280 CarbonylContact O-C 3.57Å; A277-A280 PolarHBondContact O-N 3.38Å; Q278-A280 VanDerWaalsContact C-N 3.26Å; Q278-A280 PolarHBondContact O-N 2.79Å; A280-F282 HydrophobicContact CB-CD2 4.01Å; A280-F282 HydrophobicContact CB-CE2 4.28Å
281	G	88.8	Confident	94.3	Very high	57 Å²	57	32.2 Å²	32.2	59%	0.588	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	98.4	7	177.4	0	0	0	0	0	115.5	A277 Q278 A279	A277-G281 PolarHBondContact O-N 3.14Å; A277-G281 VanDerWaalsContact O-N 3.13Å; Q278-G281 PolarHBondContact O-N 2.89Å; A279-G281 VanDerWaalsContact C-N 3.28Å; A279-G281 PolarHBondContact O-N 2.88Å
282	F	92	Very high	94.2	Very high	46 Å²	46	34 Å²	34	20%	0.202	17%	0.172	C	C	.	.			trans	-89.4	149	171.9	-62.7	-92.6	0	0	0	110.7	A277 Q278 A280 N284 K287 R288 L291	A277-F282 CarbonylContact C-O 3.56Å; A277-F282 HydrophobicContact CB-CB 4.19Å; A277-F282 PolarHBondContact O-N 3.29Å; Q278-F282 VanDerWaalsContact CA-O 3.28Å; Q278-F282 WeakPolarHBondContact CA-O 3.48Å; Q278-F282 PolarHBondContact N-O 3.49Å; A280-F282 HydrophobicContact CB-CD2 4.01Å; A280-F282 HydrophobicContact CB-CE2 4.28Å; F282-N284 VanDerWaalsContact C-N 3.31Å; F282-N284 PolarHBondContact O-N 3.4Å; F282-K287 HydrophobicContact CD1-CB 4.45Å; F282-R288 HydrophobicContact CB-CB 4.33Å; F282-R288 HydrophobicContact CD1-CB 4.03Å; F282-R288 HydrophobicContact CD2-CB 4.05Å; F282-R288 HydrophobicContact CD2-CG 4.14Å; F282-R288 HydrophobicContact CE1-CB 4.36Å; F282-R288 HydrophobicContact CE2-CB 4.39Å; F282-R288 HydrophobicContact CE2-CG 4.12Å; F282-R288 HydrophobicContact CG-CB 3.87Å; F282-R288 HydrophobicContact CG-CG 4.45Å; F282-R288 HydrophobicContact CZ-CG 4.4Å; F282-L291 HydrophobicContact CE1-CD2 4.22Å; F282-L291 HydrophobicContact CZ-CD2 4.15Å
283	E	94.5	Very high	94.1	Very high	123 Å²	123	34.2 Å²	34.2	58%	0.575	17%	0.173	S	C	*	.	S	Bend	trans	-63.3	-38.5	176.9	-172.4	-177.5	158.8	0	0	112.5	H274 K287	H274-E283 PolarHBondContact CE1-O 2.87Å; E283-K287 HydrophobicContact CB-CD 4.11Å; E283-K287 WeakPolarHBondContact OE2-CE 3.46Å; E283-K287 IonicContact OE2-NZ 3.2Å; E283-K287 PolarHBondContact OE2-NZ 3.5Å
284	N	96	Very high	94	Very high	11 Å²	11	34.1 Å²	34.1	6%	0.059	17%	0.174	C	C	.	.	S	Bend	trans	-157	174.3	-179.4	59.4	48.9	0	0	0	110.6	A277 F282 A286 K287 S592	A277-N284 VanDerWaalsContact CB-C 3.45Å; A277-N284 WeakPolarHBondContact CB-O 3.34Å; F282-N284 VanDerWaalsContact C-N 3.31Å; F282-N284 PolarHBondContact O-N 3.4Å; N284-A286 PolarHBondContact OD1-N 3.25Å; N284-K287 PolarHBondContact OD1-N 3.4Å; N284-S592 WeakPolarHBondContact CB-O 3.48Å; N284-S592 PolarHBondContact ND2-O 3.31Å
285	Y	96.5	Very high	94	Very high	27 Å²	27	33.6 Å²	33.6	11%	0.106	17%	0.172	C	C	.	.	H	α-helix	trans	-71	-33.1	-177	-170.9	-95.3	0	0	0	112.8	R273 M276 K287 R288 A289 H591 G654	R273-Y285 HydrophobicContact CB-CD1 4.45Å; R273-Y285 HydrophobicContact CB-CD2 3.6Å; R273-Y285 HydrophobicContact CB-CE2 4.04Å; R273-Y285 HydrophobicContact CB-CG 3.82Å; R273-Y285 HydrophobicContact CG-CD2 3.94Å; R273-Y285 HydrophobicContact CG-CE2 3.83Å; R273-Y285 HydrophobicContact CG-CG 4.36Å; R273-Y285 WeakPolarHBondContact O-CD2 3.47Å; M276-Y285 HydrophobicContact CE-CD2 3.87Å; M276-Y285 HydrophobicContact CE-CE2 3.38Å; Y285-K287 PolarHBondContact O-N 3.24Å; Y285-R288 WeakPolarHBondContact O-CB 3.49Å; Y285-R288 PolarHBondContact O-N 3.18Å; Y285-R288 VanDerWaalsContact O-N 3.16Å; Y285-A289 HydrophobicContact CD1-CB 4.31Å; Y285-A289 HydrophobicContact CE1-CB 4.24Å; Y285-A289 WeakPolarHBondContact O-CB 3.38Å; Y285-A289 PolarHBondContact O-N 3.32Å; Y285-H591 HydrophobicContact CD1-CB 4.09Å; Y285-H591 AromaticContact CD1-CD2 3.25Å; Y285-H591 WeakPolarHBondContact CD1-CD2 3.36Å; Y285-H591 AromaticContact CD1-CG 3.85Å; Y285-H591 AromaticContact CE1-CD2 3.81Å; Y285-H591 AromaticContact CG-CD2 4Å; Y285-H591 PolarHBondContact N-O 3.09Å; Y285-G654 WeakPolarHBondContact CE1-O 3.37Å
286	A	97.3	Very high	94	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.008	18%	0.18	C	C	.	.	H	α-helix	trans	-58.8	-44.6	176.7	0	0	0	0	0	111.9	N284 R288 A289 T290 P298 H591	N284-A286 PolarHBondContact OD1-N 3.25Å; A286-R288 VanDerWaalsContact C-N 3.3Å; A286-R288 PolarHBondContact O-N 3.25Å; A286-A289 PolarHBondContact O-N 2.87Å; A286-T290 WeakPolarHBondContact O-CG2 3.46Å; A286-T290 PolarHBondContact O-N 3.4Å; A286-T290 PolarHBondContact O-OG1 3.44Å; A286-P298 HydrophobicContact CB-CB 4.32Å; A286-P298 HydrophobicContact CB-CG 3.86Å; A286-H591 HydrophobicContact CB-CB 4.19Å; A286-H591 PolarHBondContact N-O 3.33Å
287	K	96.2	Very high	94.2	Very high	64 Å²	64	37 Å²	37	28%	0.278	19%	0.191	S	C	.	.	H	α-helix	trans	-62.1	-35.3	175.5	-72.6	-165.1	177.4	179.8	0	113.2	F282 E283 N284 Y285 P298	F282-K287 HydrophobicContact CD1-CB 4.45Å; E283-K287 HydrophobicContact CB-CD 4.11Å; E283-K287 WeakPolarHBondContact OE2-CE 3.46Å; E283-K287 IonicContact OE2-NZ 3.2Å; E283-K287 PolarHBondContact OE2-NZ 3.5Å; N284-K287 PolarHBondContact OD1-N 3.4Å; Y285-K287 PolarHBondContact O-N 3.24Å; K287-P298 HydrophobicContact CB-CG 4.49Å; K287-P298 HydrophobicContact CG-CG 3.79Å
288	R	93.7	Very high	94.4	Very high	30 Å²	30	38 Å²	38	11%	0.113	20%	0.197	C	C	.	.	H	α-helix	trans	-68.4	-39.4	172.1	-177.5	-178.3	-179.9	-94.7	5.7	111.2	L182 F282 Y285 A286	L182-R288 HydrophobicContact CD2-CG 3.74Å; L182-R288 PolarHBondContact O-NH2 3.48Å; L182-R288 VanDerWaalsContact O-NH2 3.1Å; F282-R288 HydrophobicContact CB-CB 4.33Å; F282-R288 HydrophobicContact CD1-CB 4.03Å; F282-R288 HydrophobicContact CD2-CB 4.05Å; F282-R288 HydrophobicContact CD2-CG 4.14Å; F282-R288 HydrophobicContact CE1-CB 4.36Å; F282-R288 HydrophobicContact CE2-CB 4.39Å; F282-R288 HydrophobicContact CE2-CG 4.12Å; F282-R288 HydrophobicContact CG-CB 3.87Å; F282-R288 HydrophobicContact CG-CG 4.45Å; F282-R288 HydrophobicContact CZ-CG 4.4Å; Y285-R288 WeakPolarHBondContact O-CB 3.49Å; Y285-R288 PolarHBondContact O-N 3.18Å; Y285-R288 VanDerWaalsContact O-N 3.16Å; A286-R288 VanDerWaalsContact C-N 3.3Å; A286-R288 PolarHBondContact O-N 3.25Å
289	A	94.9	Very high	94.6	Very high	3 Å²	3	38.6 Å²	38.6	3%	0.025	20%	0.2	C	C	.	.	H	α-helix	trans	-73.2	-33.9	-174.4	0	0	0	0	0	113.3	Y285 A286 R656	Y285-A289 HydrophobicContact CD1-CB 4.31Å; Y285-A289 HydrophobicContact CE1-CB 4.24Å; Y285-A289 WeakPolarHBondContact O-CB 3.38Å; Y285-A289 PolarHBondContact O-N 3.32Å; A286-A289 PolarHBondContact O-N 2.87Å; A289-R656 HydrophobicContact CB-CG 3.99Å; A289-R656 PolarHBondContact O-NE 2.99Å
290	T	95.9	Very high	94.9	Very high	1 Å²	1	41 Å²	41	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-85.7	-10.1	-179.1	60.3	0	0	0	0	114.2	A286 Y292 S293 E296 P298 V301 Y658	A286-T290 WeakPolarHBondContact O-CG2 3.46Å; A286-T290 PolarHBondContact O-N 3.4Å; A286-T290 PolarHBondContact O-OG1 3.44Å; T290-Y292 PolarHBondContact O-N 2.88Å; T290-S293 WeakPolarHBondContact O-CB 3.31Å; T290-S293 PolarHBondContact O-N 3.24Å; T290-S293 VanDerWaalsContact O-N 3.09Å; T290-S293 PolarHBondContact O-OG 3.35Å; T290-E296 CarbonylContact C-O 3.46Å; T290-E296 CarbonylContact O-C 3.59Å; T290-E296 WeakPolarHBondContact O-CA 3.43Å; T290-E296 PolarHBondContact OG1-O 3.16Å; T290-P298 HydrophobicContact CG2-CG 4.21Å; T290-P298 WeakPolarHBondContact OG1-CD 3.29Å; T290-V301 HydrophobicContact CG2-CG2 4.02Å; T290-Y658 HydrophobicContact CG2-CE1 3.89Å
291	L	93.2	Very high	95.4	Very high	67 Å²	67	40.4 Å²	40.4	35%	0.351	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	131.5	-178.7	-171.4	69.1	0	0	0	111.1	F282 S293	F282-L291 HydrophobicContact CE1-CD2 4.22Å; F282-L291 HydrophobicContact CZ-CD2 4.15Å; L291-S293 PolarHBondContact O-N 2.93Å; L291-S293 VanDerWaalsContact O-N 3.13Å
292	Y	93.2	Very high	95.9	Very high	81 Å²	81	41.6 Å²	41.6	32%	0.318	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	6.8	-176.8	-49.2	-61.3	0	0	0	117.1	L175 A178 T290	L175-Y292 HydrophobicContact CD2-CD1 4.45Å; L175-Y292 HydrophobicContact CD2-CD2 3.65Å; L175-Y292 HydrophobicContact CD2-CE2 4.12Å; L175-Y292 HydrophobicContact CD2-CG 3.85Å; A178-Y292 HydrophobicContact CB-CE2 3.62Å; T290-Y292 PolarHBondContact O-N 2.88Å
293	S	95.4	Very high	96.2	Very high	8 Å²	8	43.7 Å²	43.7	6%	0.056	21%	0.212	C	C	.	.	S	Bend	trans	-71.8	172.8	170.2	72.1	0	0	0	0	112	T290 L291 A295 E296 D522 Y658	T290-S293 WeakPolarHBondContact O-CB 3.31Å; T290-S293 PolarHBondContact O-N 3.24Å; T290-S293 VanDerWaalsContact O-N 3.09Å; T290-S293 PolarHBondContact O-OG 3.35Å; L291-S293 PolarHBondContact O-N 2.93Å; L291-S293 VanDerWaalsContact O-N 3.13Å; S293-A295 PolarHBondContact O-N 3.01Å; S293-A295 PolarHBondContact OG-N 2.7Å; S293-E296 WeakPolarHBondContact O-CG 3.2Å; S293-E296 PolarHBondContact O-N 3.36Å; S293-E296 PolarHBondContact OG-N 3.48Å; S293-D522 VanDerWaalsContact CB-OD2 3.3Å; S293-D522 WeakPolarHBondContact CB-OD2 3.42Å; S293-Y658 VanDerWaalsContact CB-OH 3.27Å; S293-Y658 WeakPolarHBondContact CB-OH 3.38Å; S293-Y658 PolarHBondContact OG-OH 3.46Å
294	L	95.7	Very high	96.4	Very high	17 Å²	17	37.8 Å²	37.8	9%	0.089	18%	0.184	C	C	.	.	S	Bend	trans	-61.8	-31.2	170	179.2	57.3	0	0	0	112.1	D522 M662 P701 A702 L705 L727	L294-D522 HydrophobicContact CB-CB 3.97Å; L294-D522 VanDerWaalsContact CB-OD2 3.28Å; L294-D522 WeakPolarHBondContact CB-OD2 3.32Å; L294-D522 HydrophobicContact CD2-CB 4.46Å; L294-D522 VanDerWaalsContact N-CG 3.29Å; L294-D522 PolarHBondContact N-OD1 2.9Å; L294-D522 PolarHBondContact N-OD2 2.8Å; L294-M662 HydrophobicContact CB-SD 3.94Å; L294-M662 HydrophobicContact CD2-CG 3.71Å; L294-M662 HydrophobicContact CD2-SD 3.93Å; L294-M662 HydrophobicContact CG-CG 4.19Å; L294-M662 HydrophobicContact CG-SD 3.71Å; L294-P701 HydrophobicContact CB-CB 3.97Å; L294-P701 HydrophobicContact CD1-CB 4.06Å; L294-A702 HydrophobicContact CD1-CB 3.96Å; L294-L705 HydrophobicContact CD1-CD2 4.45Å; L294-L705 HydrophobicContact CD2-CD2 4.16Å; L294-L727 HydrophobicContact CD2-CD1 4.21Å; L294-L727 HydrophobicContact CG-CD1 4.31Å
295	A	96.3	Very high	96.5	Very high	2 Å²	2	37.3 Å²	37.3	2%	0.017	18%	0.182	C	C	.	.	S	Bend	trans	-79	-30.2	175.5	0	0	0	0	0	112.8	S293 T297 N300 V301 Y658 M662	S293-A295 PolarHBondContact O-N 3.01Å; S293-A295 PolarHBondContact OG-N 2.7Å; A295-T297 PolarHBondContact O-N 3.03Å; A295-N300 HydrophobicContact CB-CB 4.44Å; A295-N300 WeakPolarHBondContact O-CB 3.22Å; A295-N300 PolarHBondContact O-ND2 3.09Å; A295-V301 HydrophobicContact CB-CG2 3.45Å; A295-V301 VanDerWaalsContact CB-CG2 3.45Å; A295-Y658 HydrophobicContact CB-CD2 4.41Å; A295-Y658 HydrophobicContact CB-CE2 3.52Å; A295-M662 HydrophobicContact CB-CE 3.79Å; A295-M662 HydrophobicContact CB-SD 3.92Å
296	E	94.7	Very high	96.6	Very high	86 Å²	86	39.9 Å²	39.9	40%	0.402	20%	0.195	S	C	.	.			trans	62.4	-37.9	-174.7	-57.2	-175.5	147.6	0	0	115.5	T290 S293	T290-E296 CarbonylContact C-O 3.46Å; T290-E296 CarbonylContact O-C 3.59Å; T290-E296 WeakPolarHBondContact O-CA 3.43Å; T290-E296 PolarHBondContact OG1-O 3.16Å; S293-E296 WeakPolarHBondContact O-CG 3.2Å; S293-E296 PolarHBondContact O-N 3.36Å; S293-E296 PolarHBondContact OG-N 3.48Å
297	T	96.9	Very high	96.6	Very high	48 Å²	48	41.3 Å²	41.3	29%	0.294	20%	0.201	S	C	.	.	S	Bend	trans	-136.5	152	-175.6	70.9	0	0	0	0	112.4	A295 E299 N300 V301	A295-T297 PolarHBondContact O-N 3.03Å; T297-E299 WeakPolarHBondContact CB-OE2 3.34Å; T297-E299 PolarHBondContact O-N 2.97Å; T297-N300 PolarHBondContact O-N 3.44Å; T297-N300 PolarHBondContact OG1-N 3.31Å; T297-N300 PolarHBondContact OG1-ND2 3.49Å; T297-V301 WeakPolarHBondContact O-CG2 3.46Å; T297-V301 PolarHBondContact O-N 2.92Å
298	P	98	Very high	96.7	Very high	20 Å²	20	38.2 Å²	38.2	13%	0.13	19%	0.188	C	C	.	.	H	α-helix	trans	-61.4	-29.2	173.7	-24	36.6	0	0	0	113.3	A286 K287 T290 V301 D302	A286-P298 HydrophobicContact CB-CB 4.32Å; A286-P298 HydrophobicContact CB-CG 3.86Å; K287-P298 HydrophobicContact CB-CG 4.49Å; K287-P298 HydrophobicContact CG-CG 3.79Å; T290-P298 HydrophobicContact CG2-CG 4.21Å; T290-P298 WeakPolarHBondContact OG1-CD 3.29Å; P298-V301 WeakPolarHBondContact O-CB 3.5Å; P298-V301 PolarHBondContact O-N 2.86Å; P298-D302 PolarHBondContact O-N 3.26Å
299	E	98	Very high	97	Very high	107 Å²	107	37 Å²	37	50%	0.5	18%	0.184	S	C	.	.	H	α-helix	trans	-64.9	-41.3	177.2	-64.9	75.6	-165.5	0	0	111.6	T297 V301 D302 E303	T297-E299 WeakPolarHBondContact CB-OE2 3.34Å; T297-E299 PolarHBondContact O-N 2.97Å; E299-V301 VanDerWaalsContact C-N 3.32Å; E299-D302 PolarHBondContact O-N 3.17Å; E299-E303 PolarHBondContact O-N 3.05Å
300	N	98	Very high	97.1	Very high	50 Å²	50	44.5 Å²	44.5	27%	0.267	22%	0.216	S	C	.	.	H	α-helix	trans	-67.6	-34.2	174.1	-74.1	-11.8	0	0	0	111.7	A295 T297 F304 P724	A295-N300 HydrophobicContact CB-CB 4.44Å; A295-N300 WeakPolarHBondContact O-CB 3.22Å; A295-N300 PolarHBondContact O-ND2 3.09Å; T297-N300 PolarHBondContact O-N 3.44Å; T297-N300 PolarHBondContact OG1-N 3.31Å; T297-N300 PolarHBondContact OG1-ND2 3.49Å; N300-F304 WeakPolarHBondContact O-CB 3.18Å; N300-F304 PolarHBondContact O-N 2.93Å; N300-P724 HydrophobicContact CB-CG 3.75Å; N300-P724 WeakPolarHBondContact O-CB 3.38Å
301	V	98.5	Very high	97.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-47.5	172.9	179	0	0	0	0	110.8	T290 A295 T297 P298 E299 F304 L305 Q588 Y658	T290-V301 HydrophobicContact CG2-CG2 4.02Å; A295-V301 HydrophobicContact CB-CG2 3.45Å; A295-V301 VanDerWaalsContact CB-CG2 3.45Å; T297-V301 WeakPolarHBondContact O-CG2 3.46Å; T297-V301 PolarHBondContact O-N 2.92Å; P298-V301 WeakPolarHBondContact O-CB 3.5Å; P298-V301 PolarHBondContact O-N 2.86Å; E299-V301 VanDerWaalsContact C-N 3.32Å; V301-F304 PolarHBondContact O-N 3.35Å; V301-L305 HydrophobicContact CG1-CD1 3.64Å; V301-L305 HydrophobicContact CG1-CG 4.22Å; V301-L305 WeakPolarHBondContact O-CB 3.4Å; V301-L305 WeakPolarHBondContact O-CG 3.27Å; V301-L305 PolarHBondContact O-N 3.14Å; V301-Q588 HydrophobicContact CB-CG 4.5Å; V301-Q588 HydrophobicContact CG1-CG 3.67Å; V301-Y658 HydrophobicContact CB-CD1 4.34Å; V301-Y658 HydrophobicContact CB-CG 4.29Å; V301-Y658 HydrophobicContact CG1-CD1 3.62Å; V301-Y658 HydrophobicContact CG1-CD2 4.03Å; V301-Y658 HydrophobicContact CG1-CE1 4.34Å; V301-Y658 HydrophobicContact CG1-CG 3.44Å; V301-Y658 VanDerWaalsContact CG1-CG 3.44Å; V301-Y658 HydrophobicContact CG2-CD1 3.68Å; V301-Y658 HydrophobicContact CG2-CD2 3.79Å; V301-Y658 HydrophobicContact CG2-CE1 3.53Å; V301-Y658 HydrophobicContact CG2-CE2 3.68Å; V301-Y658 HydrophobicContact CG2-CG 3.81Å
302	D	98.4	Very high	97.4	Very high	82 Å²	82	45 Å²	45	44%	0.439	22%	0.215	S	C	.	.	H	α-helix	trans	-61.8	-47	177.3	-176.2	65.7	0	0	0	110.7	P298 E299 F304 L305 Q306	P298-D302 PolarHBondContact O-N 3.26Å; E299-D302 PolarHBondContact O-N 3.17Å; D302-F304 VanDerWaalsContact C-N 3.31Å; D302-F304 PolarHBondContact O-N 3.26Å; D302-L305 PolarHBondContact O-N 3.11Å; D302-Q306 WeakPolarHBondContact O-CB 3.25Å; D302-Q306 WeakPolarHBondContact O-CG 3.35Å; D302-Q306 PolarHBondContact O-N 3.23Å; D302-Q306 WeakPolarHBondContact OD1-CG 3.49Å; D302-Q306 PolarHBondContact OD1-NE2 3Å
303	E	98.4	Very high	97.6	Very high	89 Å²	89	45.8 Å²	45.8	42%	0.416	22%	0.217	S	C	.	.	H	α-helix	trans	-55	-47	176.9	-173.1	-179.3	-174	0	0	111.9	E299 H307 P724	E299-E303 PolarHBondContact O-N 3.05Å; E303-H307 VanDerWaalsContact O-CB 3.3Å; E303-H307 WeakPolarHBondContact O-CB 3.47Å; E303-H307 PolarHBondContact O-N 2.82Å; E303-H307 VanDerWaalsContact O-N 3.08Å; E303-P724 HydrophobicContact CB-CB 4.15Å; E303-P724 HydrophobicContact CG-CB 4.23Å
304	F	98.6	Very high	97.7	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-58.9	-54.5	175.9	171.3	-103.1	0	0	0	111.9	N300 V301 D302 H307 V308 L661 M662 A665 P724 L727 A728 L731	N300-F304 WeakPolarHBondContact O-CB 3.18Å; N300-F304 PolarHBondContact O-N 2.93Å; V301-F304 PolarHBondContact O-N 3.35Å; D302-F304 VanDerWaalsContact C-N 3.31Å; D302-F304 PolarHBondContact O-N 3.26Å; F304-H307 PolarHBondContact O-N 3.37Å; F304-V308 HydrophobicContact CD2-CG2 4.37Å; F304-V308 HydrophobicContact CE1-CG2 4.2Å; F304-V308 HydrophobicContact CE2-CG2 3.98Å; F304-V308 HydrophobicContact CZ-CG2 3.89Å; F304-V308 WeakPolarHBondContact O-CG2 3.47Å; F304-V308 PolarHBondContact O-N 3.24Å; F304-L661 HydrophobicContact CE1-CB 3.78Å; F304-L661 HydrophobicContact CZ-CB 4.07Å; F304-M662 HydrophobicContact CB-CE 3.83Å; F304-M662 HydrophobicContact CD1-CE 3.92Å; F304-M662 HydrophobicContact CD2-CE 4.2Å; F304-M662 HydrophobicContact CE1-CB 4.32Å; F304-M662 HydrophobicContact CG-CE 3.72Å; F304-M662 HydrophobicContact CZ-CB 4.34Å; F304-A665 HydrophobicContact CE2-CB 3.93Å; F304-A665 HydrophobicContact CZ-CB 4.17Å; F304-P724 HydrophobicContact CB-CB 4Å; F304-P724 WeakPolarHBondContact CD2-O 3.45Å; F304-L727 HydrophobicContact CD2-CB 3.94Å; F304-L727 HydrophobicContact CE2-CB 3.93Å; F304-A728 HydrophobicContact CD2-CB 3.8Å; F304-A728 HydrophobicContact CE2-CB 4.07Å; F304-L731 HydrophobicContact CZ-CD2 4.14Å
305	L	98.7	Very high	97.7	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-67.2	-40.2	-174.4	-67.5	173.8	0	0	0	112.4	V301 D302 H307 V308 C309 A581 A584 I585 L661	V301-L305 HydrophobicContact CG1-CD1 3.64Å; V301-L305 HydrophobicContact CG1-CG 4.22Å; V301-L305 WeakPolarHBondContact O-CB 3.4Å; V301-L305 WeakPolarHBondContact O-CG 3.27Å; V301-L305 PolarHBondContact O-N 3.14Å; D302-L305 PolarHBondContact O-N 3.11Å; L305-H307 VanDerWaalsContact C-N 3.29Å; L305-H307 PolarHBondContact O-N 3.49Å; L305-V308 PolarHBondContact O-N 3.25Å; L305-C309 WeakPolarHBondContact O-CB 3.1Å; L305-C309 PolarHBondContact O-N 3.12Å; L305-C309 PolarHBondContact O-SG 2.74Å; L305-C309 VanDerWaalsContact O-SG 3.36Å; L305-A581 HydrophobicContact CD2-CB 4.29Å; L305-A584 HydrophobicContact CD1-CB 3.71Å; L305-A584 HydrophobicContact CD2-CB 3.85Å; L305-A584 HydrophobicContact CG-CB 4.47Å; L305-I585 HydrophobicContact CB-CD1 4.27Å; L305-I585 HydrophobicContact CB-CG1 3.92Å; L305-I585 HydrophobicContact CD1-CG1 3.79Å; L305-I585 HydrophobicContact CG-CG1 4.43Å; L305-L661 HydrophobicContact CD2-CD1 3.98Å
306	Q	98.2	Very high	97.7	Very high	81 Å²	81	49.4 Å²	49.4	38%	0.379	24%	0.24	S	C	.	.	H	α-helix	trans	-62.2	-40.2	174.7	-65.4	-61.4	-22.7	0	0	110.8	D302 K310	D302-Q306 WeakPolarHBondContact O-CB 3.25Å; D302-Q306 WeakPolarHBondContact O-CG 3.35Å; D302-Q306 PolarHBondContact O-N 3.23Å; D302-Q306 WeakPolarHBondContact OD1-CG 3.49Å; D302-Q306 PolarHBondContact OD1-NE2 3Å; Q306-K310 VanDerWaalsContact O-CB 3.23Å; Q306-K310 WeakPolarHBondContact O-CB 3.44Å; Q306-K310 PolarHBondContact O-N 3.19Å
307	H	98.1	Very high	97.8	Very high	30 Å²	30	46 Å²	46	14%	0.139	23%	0.226	C	C	.	.	H	α-helix	trans	-66.1	-45.3	177.6	-158.9	88.9	0	0	0	112	E303 F304 L305 K310 K311 A728 E729	E303-H307 VanDerWaalsContact O-CB 3.3Å; E303-H307 WeakPolarHBondContact O-CB 3.47Å; E303-H307 PolarHBondContact O-N 2.82Å; E303-H307 VanDerWaalsContact O-N 3.08Å; F304-H307 PolarHBondContact O-N 3.37Å; L305-H307 VanDerWaalsContact C-N 3.29Å; L305-H307 PolarHBondContact O-N 3.49Å; H307-K310 PolarHBondContact O-N 2.77Å; H307-K311 WeakPolarHBondContact NE2-CE 3.41Å; H307-K311 WeakPolarHBondContact O-CB 3.46Å; H307-K311 WeakPolarHBondContact O-CG 3.21Å; H307-K311 PolarHBondContact O-N 3.05Å; H307-A728 HydrophobicContact CB-CB 3.7Å; H307-E729 IonicContact NE2-OE1 2.61Å
308	V	98.6	Very high	97.7	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-55.7	-53.5	174.5	170.5	0	0	0	0	110.5	F304 L305 K310 K311 L312 V577 A581 A728 L731 T732	F304-V308 HydrophobicContact CD2-CG2 4.37Å; F304-V308 HydrophobicContact CE1-CG2 4.2Å; F304-V308 HydrophobicContact CE2-CG2 3.98Å; F304-V308 HydrophobicContact CZ-CG2 3.89Å; F304-V308 WeakPolarHBondContact O-CG2 3.47Å; F304-V308 PolarHBondContact O-N 3.24Å; L305-V308 PolarHBondContact O-N 3.25Å; V308-K310 PolarHBondContact O-N 3.49Å; V308-K311 PolarHBondContact O-N 3.27Å; V308-L312 HydrophobicContact CG1-CD1 3.74Å; V308-L312 HydrophobicContact CG1-CG 4.33Å; V308-L312 WeakPolarHBondContact O-CB 3.33Å; V308-L312 WeakPolarHBondContact O-CG 3.42Å; V308-L312 PolarHBondContact O-N 3.35Å; V308-V577 HydrophobicContact CG1-CG1 4.1Å; V308-A581 HydrophobicContact CG1-CB 4.36Å; V308-A728 HydrophobicContact CG2-CB 3.72Å; V308-L731 HydrophobicContact CG1-CD2 4.44Å; V308-L731 HydrophobicContact CG2-CD2 4.1Å; V308-T732 HydrophobicContact CB-CG2 4.37Å; V308-T732 HydrophobicContact CG1-CG2 4.23Å; V308-T732 HydrophobicContact CG2-CG2 4.33Å
309	C	98.5	Very high	97.6	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.034	23%	0.234	C	C	.	.	H	α-helix	trans	-57.2	-46.8	178.8	-75.5	0	0	0	0	112.4	L305 K311 L312 R313 V627	L305-C309 WeakPolarHBondContact O-CB 3.1Å; L305-C309 PolarHBondContact O-N 3.12Å; L305-C309 PolarHBondContact O-SG 2.74Å; L305-C309 VanDerWaalsContact O-SG 3.36Å; C309-K311 PolarHBondContact O-N 3.43Å; C309-L312 PolarHBondContact O-N 3.08Å; C309-R313 WeakPolarHBondContact O-CB 3.37Å; C309-R313 PolarHBondContact O-N 3.39Å; C309-V627 HydrophobicContact CB-CB 3.95Å; C309-V627 HydrophobicContact CB-CG1 4.04Å
310	K	97.9	Very high	97.4	Very high	159 Å²	159	44.2 Å²	44.2	69%	0.691	21%	0.211	S	C	*	.	H	α-helix	trans	-60.3	-44.3	-179.4	-179.2	-179.8	179.2	179.3	0	112.3	Q306 H307 V308	Q306-K310 VanDerWaalsContact O-CB 3.23Å; Q306-K310 WeakPolarHBondContact O-CB 3.44Å; Q306-K310 PolarHBondContact O-N 3.19Å; H307-K310 PolarHBondContact O-N 2.77Å; V308-K310 PolarHBondContact O-N 3.49Å
311	K	97.6	Very high	97.2	Very high	79 Å²	79	47.9 Å²	47.9	34%	0.343	22%	0.221	S	C	.	.	H	α-helix	trans	-72.6	-40.3	-179.2	-74	-78	-168.2	148.3	0	112.3	H307 V308 C309 P314 T732	H307-K311 WeakPolarHBondContact NE2-CE 3.41Å; H307-K311 WeakPolarHBondContact O-CB 3.46Å; H307-K311 WeakPolarHBondContact O-CG 3.21Å; H307-K311 PolarHBondContact O-N 3.05Å; V308-K311 PolarHBondContact O-N 3.27Å; C309-K311 PolarHBondContact O-N 3.43Å; K311-P314 WeakPolarHBondContact O-CD 3.23Å; K311-P314 WeakPolarHBondContact O-CG 3.46Å; K311-T732 HydrophobicContact CB-CG2 3.87Å
312	L	97.5	Very high	96.9	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-77.5	-22.6	-178.5	-65.9	-176.1	0	0	0	114.1	V308 C309 I315 S316 V577 S578 T732 L735	V308-L312 HydrophobicContact CG1-CD1 3.74Å; V308-L312 HydrophobicContact CG1-CG 4.33Å; V308-L312 WeakPolarHBondContact O-CB 3.33Å; V308-L312 WeakPolarHBondContact O-CG 3.42Å; V308-L312 PolarHBondContact O-N 3.35Å; C309-L312 PolarHBondContact O-N 3.08Å; L312-I315 HydrophobicContact CD2-CD1 4.14Å; L312-I315 PolarHBondContact O-N 3.24Å; L312-I315 VanDerWaalsContact O-N 3.14Å; L312-S316 WeakPolarHBondContact O-CB 3.26Å; L312-S316 PolarHBondContact O-N 2.93Å; L312-S316 PolarHBondContact O-OG 2.79Å; L312-V577 HydrophobicContact CD1-CB 3.98Å; L312-V577 HydrophobicContact CD1-CG1 3.57Å; L312-S578 WeakPolarHBondContact CB-OG 3.46Å; L312-T732 HydrophobicContact CD1-CG2 4.34Å; L312-T732 HydrophobicContact CD2-CG2 3.8Å; L312-T732 HydrophobicContact CG-CG2 3.73Å; L312-L735 HydrophobicContact CD1-CD1 3.9Å; L312-L735 HydrophobicContact CD2-CB 4.04Å; L312-L735 HydrophobicContact CD2-CD1 3.95Å
313	R	97.6	Very high	96.5	Very high	97 Å²	97	49.8 Å²	49.8	37%	0.366	23%	0.225	S	C	.	.	H	α-helix	trans	-50	-53.5	179.5	-178	177.1	177.2	167.8	4.1	114.2	C309 I315 S316 T317 D631	C309-R313 WeakPolarHBondContact O-CB 3.37Å; C309-R313 PolarHBondContact O-N 3.39Å; R313-I315 PolarHBondContact O-N 2.98Å; R313-S316 PolarHBondContact O-OG 3.46Å; R313-S316 VanDerWaalsContact O-OG 3.08Å; R313-T317 VanDerWaalsContact O-CB 3.27Å; R313-T317 WeakPolarHBondContact O-CB 3.35Å; R313-T317 PolarHBondContact O-N 2.7Å; R313-T317 PolarHBondContact O-OG1 3.25Å; R313-D631 IonicContact CZ-OD1 2.7Å; R313-D631 IonicContact CZ-OD2 3.97Å; R313-D631 IonicContact NE-OD2 3.49Å; R313-D631 PolarHBondContact NE-OD2 3.06Å; R313-D631 IonicContact NH2-OD1 3.76Å; R313-D631 PolarHBondContact NH2-OD1 3.23Å; R313-D631 IonicContact NH2-OD2 2.8Å; R313-D631 PolarHBondContact NH2-OD2 3.24Å
314	P	97.1	Very high	96.2	Very high	85 Å²	85	45.5 Å²	45.5	55%	0.552	21%	0.205	S	C	*	.	H	α-helix	trans	-64.1	-37.5	177.6	23.7	-34.5	0	0	0	113.2	K311 K318	K311-P314 WeakPolarHBondContact O-CD 3.23Å; K311-P314 WeakPolarHBondContact O-CG 3.46Å; P314-K318 WeakPolarHBondContact O-CB 3.26Å; P314-K318 PolarHBondContact O-N 2.69Å; P314-K318 VanDerWaalsContact O-N 3.09Å
315	I	96.3	Very high	95.9	Very high	18 Å²	18	46 Å²	46	9%	0.092	21%	0.208	C	C	.	.	H	α-helix	trans	-67.3	-55.8	-178.1	-58.4	163.9	0	0	0	109.9	L312 R313 T317 K318 V319 E736 E739	L312-I315 HydrophobicContact CD2-CD1 4.14Å; L312-I315 PolarHBondContact O-N 3.24Å; L312-I315 VanDerWaalsContact O-N 3.14Å; R313-I315 PolarHBondContact O-N 2.98Å; I315-T317 VanDerWaalsContact C-N 3.34Å; I315-T317 PolarHBondContact O-N 3.44Å; I315-K318 WeakPolarHBondContact O-CB 3.45Å; I315-K318 PolarHBondContact O-N 3.35Å; I315-K318 VanDerWaalsContact O-N 3.15Å; I315-V319 WeakPolarHBondContact O-CG2 2.89Å; I315-V319 PolarHBondContact O-N 3.12Å; I315-E736 HydrophobicContact CD1-CB 3.6Å; I315-E736 HydrophobicContact CD1-CG 3.69Å; I315-E736 HydrophobicContact CG1-CG 4.12Å; I315-E739 HydrophobicContact CG2-CB 4.14Å; I315-E739 HydrophobicContact CG2-CG 4.05Å
316	S	96.5	Very high	95.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-57.2	-44.1	178	57.4	0	0	0	0	112	L312 R313 K318 V319 A320 W632	L312-S316 WeakPolarHBondContact O-CB 3.26Å; L312-S316 PolarHBondContact O-N 2.93Å; L312-S316 PolarHBondContact O-OG 2.79Å; R313-S316 PolarHBondContact O-OG 3.46Å; R313-S316 VanDerWaalsContact O-OG 3.08Å; S316-K318 PolarHBondContact O-N 3.3Å; S316-V319 PolarHBondContact O-N 3.23Å; S316-A320 WeakPolarHBondContact O-CB 3.5Å; S316-A320 PolarHBondContact O-N 3.28Å; S316-W632 PolarHBondContact OG-NE1 3.43Å; S316-W632 VanDerWaalsContact OG-NE1 3.12Å
317	T	96.6	Very high	95.2	Very high	16 Å²	16	46.2 Å²	46.2	10%	0.098	22%	0.215	C	C	.	.	H	α-helix	trans	-59.6	-45.3	176.7	-58.9	0	0	0	0	111.9	R313 I315 R321 D631 W632	R313-T317 VanDerWaalsContact O-CB 3.27Å; R313-T317 WeakPolarHBondContact O-CB 3.35Å; R313-T317 PolarHBondContact O-N 2.7Å; R313-T317 PolarHBondContact O-OG1 3.25Å; I315-T317 VanDerWaalsContact C-N 3.34Å; I315-T317 PolarHBondContact O-N 3.44Å; T317-R321 WeakPolarHBondContact O-CB 3.42Å; T317-R321 VanDerWaalsContact O-CG 3.31Å; T317-R321 WeakPolarHBondContact O-CG 3.49Å; T317-R321 PolarHBondContact O-N 3.09Å; T317-D631 HydrophobicContact CG2-CB 4.13Å; T317-W632 VanDerWaalsContact CA-CD1 3.49Å
318	K	95.3	Very high	94.9	Very high	131 Å²	131	45.3 Å²	45.3	57%	0.57	21%	0.211	S	C	*	.	H	α-helix	trans	-63.4	-47.5	178.7	178.2	-176.9	173.8	-172.1	0	111	P314 I315 S316 K322	P314-K318 WeakPolarHBondContact O-CB 3.26Å; P314-K318 PolarHBondContact O-N 2.69Å; P314-K318 VanDerWaalsContact O-N 3.09Å; I315-K318 WeakPolarHBondContact O-CB 3.45Å; I315-K318 PolarHBondContact O-N 3.35Å; I315-K318 VanDerWaalsContact O-N 3.15Å; S316-K318 PolarHBondContact O-N 3.3Å; K318-K322 WeakPolarHBondContact O-CB 3.37Å; K318-K322 PolarHBondContact O-N 3.39Å
319	V	94.3	Very high	94.5	Very high	5 Å²	5	50 Å²	50	3%	0.03	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-49.2	-179.1	173.1	0	0	0	0	110.9	I315 S316 R321 H323 L324 L571 L575 E739 T743	I315-V319 WeakPolarHBondContact O-CG2 2.89Å; I315-V319 PolarHBondContact O-N 3.12Å; S316-V319 PolarHBondContact O-N 3.23Å; V319-R321 PolarHBondContact O-N 3.43Å; V319-H323 WeakPolarHBondContact O-CB 3.26Å; V319-H323 PolarHBondContact O-N 3.48Å; V319-L324 PolarHBondContact O-N 3.29Å; V319-L571 HydrophobicContact CG1-CD1 4.11Å; V319-L575 HydrophobicContact CB-CD1 3.88Å; V319-L575 HydrophobicContact CG1-CD1 3.72Å; V319-E739 HydrophobicContact CG2-CB 4.21Å; V319-E739 HydrophobicContact CG2-CG 4.31Å; V319-E739 WeakPolarHBondContact CG2-OE2 3.5Å; V319-T743 HydrophobicContact CG2-CG2 4.44Å
320	A	95.1	Very high	94	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.253	C	S	.	.	I	π-helix	trans	-55.4	-51.6	177.9	0	0	0	0	0	111.7	S316 L324 L325 I349 L575 W632	S316-A320 WeakPolarHBondContact O-CB 3.5Å; S316-A320 PolarHBondContact O-N 3.28Å; A320-L324 PolarHBondContact O-N 3.29Å; A320-L325 PolarHBondContact O-N 2.85Å; A320-I349 HydrophobicContact CB-CD1 3.87Å; A320-L575 HydrophobicContact CB-CD2 3.96Å; A320-W632 HydrophobicContact CB-CB 3.56Å; A320-W632 HydrophobicContact CB-CD2 3.8Å; A320-W632 HydrophobicContact CB-CE3 3.81Å; A320-W632 HydrophobicContact CB-CG 3.72Å
321	R	93.5	Very high	93.6	Very high	127 Å²	127	46.8 Å²	46.8	48%	0.479	22%	0.222	S	C	.	.	I	π-helix	trans	-69.6	-42.9	-175.5	-71.2	179.8	178	172.1	1.1	113.2	T317 V319 L325 D631	T317-R321 WeakPolarHBondContact O-CB 3.42Å; T317-R321 VanDerWaalsContact O-CG 3.31Å; T317-R321 WeakPolarHBondContact O-CG 3.49Å; T317-R321 PolarHBondContact O-N 3.09Å; V319-R321 PolarHBondContact O-N 3.43Å; R321-L325 HydrophobicContact CB-CD1 4.34Å; R321-L325 HydrophobicContact CG-CD1 4.07Å; R321-D631 PolarHBondContact NE-O 2.95Å; R321-D631 PolarHBondContact NH2-O 3.34Å
322	K	91.5	Very high	93.1	Very high	113 Å²	113	44.2 Å²	44.2	49%	0.491	21%	0.211	S	C	.	.	I	π-helix	trans	-81.9	-37.8	-174	-173.2	176.8	172.2	-171.1	0	112.7	K318	K318-K322 WeakPolarHBondContact O-CB 3.37Å; K318-K322 PolarHBondContact O-N 3.39Å
323	H	90.3	Very high	92.4	Very high	9 Å²	9	47.3 Å²	47.3	4%	0.042	24%	0.242	C	C	.	.	I	π-helix	trans	-113	-30.5	-167.5	-63.2	-73.6	0	0	0	114.4	V319 I327 T743	V319-H323 WeakPolarHBondContact O-CB 3.26Å; V319-H323 PolarHBondContact O-N 3.48Å; H323-I327 WeakPolarHBondContact O-CD1 3.12Å; H323-T743 VanDerWaalsContact CD2-CG2 3.4Å; H323-T743 WeakPolarHBondContact CD2-CG2 3.17Å; H323-T743 VanDerWaalsContact NE2-CG2 3.29Å; H323-T743 WeakPolarHBondContact NE2-CG2 3.19Å
324	L	92.4	Very high	91.5	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.257	C	S	.	.	I	π-helix	trans	-100.8	-44.3	-174.5	-56.6	-172.3	0	0	0	113.7	V319 A320 P326 I327 I328 I349 L354 A357 V358 L571 L575	V319-L324 PolarHBondContact O-N 3.29Å; A320-L324 PolarHBondContact O-N 3.29Å; L324-P326 VanDerWaalsContact C-CD 3.43Å; L324-P326 VanDerWaalsContact C-N 3.32Å; L324-I327 HydrophobicContact CD2-CD1 4.27Å; L324-I327 WeakPolarHBondContact O-CB 3.34Å; L324-I327 PolarHBondContact O-N 3.3Å; L324-I328 PolarHBondContact O-N 2.92Å; L324-I349 HydrophobicContact CB-CD1 3.61Å; L324-I349 HydrophobicContact CD1-CD1 4.1Å; L324-I349 HydrophobicContact CG-CD1 4.5Å; L324-L354 HydrophobicContact CD1-CD1 3.95Å; L324-A357 HydrophobicContact CB-CB 4.05Å; L324-A357 HydrophobicContact CD2-CB 4.28Å; L324-V358 HydrophobicContact CD1-CG2 3.84Å; L324-V358 HydrophobicContact CD2-CG2 4.46Å; L324-L571 HydrophobicContact CD2-CD2 4.5Å; L324-L575 HydrophobicContact CD1-CD2 3.45Å; L324-L575 VanDerWaalsContact CD1-CD2 3.45Å
325	L	92.9	Very high	90.2	Very high	9 Å²	9	47.6 Å²	47.6	5%	0.047	24%	0.24	C	C	.	.	H	α-helix	trans	-53.2	-40.5	177.2	-78.7	-179.8	0	0	0	113.9	A320 R321 I327 I328 K329 N347 I349	A320-L325 PolarHBondContact O-N 2.85Å; R321-L325 HydrophobicContact CB-CD1 4.34Å; R321-L325 HydrophobicContact CG-CD1 4.07Å; L325-I327 VanDerWaalsContact C-N 3.25Å; L325-I327 PolarHBondContact O-N 2.62Å; L325-I328 PolarHBondContact O-N 2.8Å; L325-K329 WeakPolarHBondContact O-CG 3.44Å; L325-K329 PolarHBondContact O-N 2.88Å; L325-N347 HydrophobicContact CD1-CB 4.21Å; L325-N347 WeakPolarHBondContact CD1-O 3.39Å; L325-I349 HydrophobicContact CD2-CD1 4.49Å; L325-I349 HydrophobicContact CD2-CG1 3.64Å; L325-I349 HydrophobicContact CG-CG1 4.16Å
326	P	91.2	Very high	88.5	Confident	69 Å²	69	56.7 Å²	56.7	45%	0.448	28%	0.279	S	S	.	.	H	α-helix	trans	-59.5	-34.5	176.2	-26.3	36.6	0	0	0	113.7	L324 N330	L324-P326 VanDerWaalsContact C-CD 3.43Å; L324-P326 VanDerWaalsContact C-N 3.32Å; P326-N330 VanDerWaalsContact O-CB 3.32Å; P326-N330 WeakPolarHBondContact O-CB 3.31Å; P326-N330 PolarHBondContact O-N 3.24Å
327	I	90.3	Very high	86.5	Confident	18 Å²	18	61.3 Å²	61.3	9%	0.092	30%	0.302	C	S	.	.	H	α-helix	trans	-68.4	-45	179.6	-56.2	167.9	0	0	0	109.9	H323 L324 L325 N330 S331 Y356 A357 V360 K361	H323-I327 WeakPolarHBondContact O-CD1 3.12Å; L324-I327 HydrophobicContact CD2-CD1 4.27Å; L324-I327 WeakPolarHBondContact O-CB 3.34Å; L324-I327 PolarHBondContact O-N 3.3Å; L325-I327 VanDerWaalsContact C-N 3.25Å; L325-I327 PolarHBondContact O-N 2.62Å; I327-N330 PolarHBondContact O-N 3.11Å; I327-S331 WeakPolarHBondContact O-CB 3.49Å; I327-S331 PolarHBondContact O-N 3.08Å; I327-Y356 HydrophobicContact CG2-CE1 4.03Å; I327-A357 WeakPolarHBondContact CD1-O 3.46Å; I327-V360 HydrophobicContact CG2-CB 4.18Å; I327-V360 HydrophobicContact CG2-CG1 3.97Å; I327-K361 HydrophobicContact CD1-CB 4.45Å; I327-K361 HydrophobicContact CD1-CD 4.03Å; I327-K361 HydrophobicContact CD1-CG 3.27Å; I327-K361 HydrophobicContact CG1-CG 4.48Å
328	I	91.3	Very high	84.2	Confident	12 Å²	12	67.2 Å²	67.2	6%	0.062	33%	0.328	C	S	.	.	H	α-helix	trans	-61.7	-52.5	177.9	-62.5	168.9	0	0	0	108.7	L324 L325 N330 S331 Y332 I349 D353 A357	L324-I328 PolarHBondContact O-N 2.92Å; L325-I328 PolarHBondContact O-N 2.8Å; I328-N330 VanDerWaalsContact C-N 3.25Å; I328-N330 PolarHBondContact O-N 3.17Å; I328-S331 WeakPolarHBondContact O-CB 3.46Å; I328-S331 PolarHBondContact O-N 3.16Å; I328-Y332 HydrophobicContact CG2-CD2 3.81Å; I328-Y332 HydrophobicContact CG2-CE2 3.65Å; I328-Y332 VanDerWaalsContact O-CD2 3.31Å; I328-Y332 WeakPolarHBondContact O-CD2 3.34Å; I328-Y332 PolarHBondContact O-N 3.05Å; I328-I349 HydrophobicContact CD1-CB 3.97Å; I328-I349 HydrophobicContact CD1-CD1 4.01Å; I328-I349 HydrophobicContact CD1-CG1 3.61Å; I328-I349 HydrophobicContact CD1-CG2 3.56Å; I328-D353 HydrophobicContact CD1-CB 4.14Å; I328-D353 HydrophobicContact CG1-CB 4.29Å; I328-A357 HydrophobicContact CD1-CB 4.05Å; I328-A357 HydrophobicContact CG1-CB 3.9Å
329	K	90.4	Very high	82.1	Confident	99 Å²	99	67.8 Å²	67.8	43%	0.43	34%	0.337	S	S	.	.	H	α-helix	trans	-53.8	-42	177	-71.2	178.5	-178.9	-178	0	112.4	L325 G333	L325-K329 WeakPolarHBondContact O-CG 3.44Å; L325-K329 PolarHBondContact O-N 2.88Å; K329-G333 PolarHBondContact O-N 3.36Å
330	N	88.9	Confident	80.1	Confident	90 Å²	90	69.1 Å²	69.1	48%	0.481	34%	0.344	S	S	.	.	H	α-helix	trans	-66.5	-40.9	176.1	-176.3	44.3	0	0	0	113.2	P326 I327 I328 G333 K334	P326-N330 VanDerWaalsContact O-CB 3.32Å; P326-N330 WeakPolarHBondContact O-CB 3.31Å; P326-N330 PolarHBondContact O-N 3.24Å; I327-N330 PolarHBondContact O-N 3.11Å; I328-N330 VanDerWaalsContact C-N 3.25Å; I328-N330 PolarHBondContact O-N 3.17Å; N330-G333 PolarHBondContact O-N 2.64Å; N330-K334 WeakPolarHBondContact O-CG 3.4Å; N330-K334 PolarHBondContact O-N 2.92Å; N330-K334 WeakPolarHBondContact OD1-CE 3.21Å
331	S	88.3	Confident	77.7	Confident	6 Å²	6	74 Å²	74	4%	0.042	37%	0.367	C	S	.	.	H	α-helix	trans	-60.1	-46.6	176	172.6	0	0	0	0	111.3	P243 R248 I327 I328 K334 T335	P243-S331 PolarHBondContact O-OG 2.94Å; R248-S331 PolarHBondContact NH1-OG 3.3Å; R248-S331 PolarHBondContact NH2-OG 2.94Å; R248-S331 VanDerWaalsContact NH2-OG 3.16Å; I327-S331 WeakPolarHBondContact O-CB 3.49Å; I327-S331 PolarHBondContact O-N 3.08Å; I328-S331 WeakPolarHBondContact O-CB 3.46Å; I328-S331 PolarHBondContact O-N 3.16Å; S331-K334 PolarHBondContact O-N 3.3Å; S331-T335 PolarHBondContact O-OG1 3.3Å
332	Y	87.5	Confident	75.5	Confident	25 Å²	25	73.1 Å²	73.1	10%	0.098	38%	0.376	C	S	.	.	H	α-helix	trans	-67.6	-37.4	176.7	-79.4	-98.2	0	0	0	113.2	P245 I328 K334 T335 L340 D353	P245-Y332 HydrophobicContact CB-CD1 4.1Å; P245-Y332 HydrophobicContact CB-CD2 3.97Å; P245-Y332 HydrophobicContact CB-CE1 3.71Å; P245-Y332 HydrophobicContact CB-CE2 3.58Å; P245-Y332 HydrophobicContact CB-CG 4.23Å; P245-Y332 VanDerWaalsContact CB-CZ 3.45Å; P245-Y332 HydrophobicContact CG-CD1 3.98Å; P245-Y332 HydrophobicContact CG-CD2 4.16Å; P245-Y332 HydrophobicContact CG-CE1 4.09Å; P245-Y332 HydrophobicContact CG-CE2 4.27Å; P245-Y332 HydrophobicContact CG-CG 4.03Å; I328-Y332 HydrophobicContact CG2-CD2 3.81Å; I328-Y332 HydrophobicContact CG2-CE2 3.65Å; I328-Y332 VanDerWaalsContact O-CD2 3.31Å; I328-Y332 WeakPolarHBondContact O-CD2 3.34Å; I328-Y332 PolarHBondContact O-N 3.05Å; Y332-K334 VanDerWaalsContact C-N 3.25Å; Y332-K334 PolarHBondContact O-N 3.33Å; Y332-T335 PolarHBondContact O-N 3.25Å; Y332-L340 HydrophobicContact CD1-CB 4.32Å; Y332-L340 HydrophobicContact CE1-CB 4.35Å; Y332-D353 WeakPolarHBondContact CE2-OD2 3.29Å; Y332-D353 PolarHBondContact OH-OD2 3.08Å
333	G	83.3	Confident	73.7	Confident	64 Å²	64	70.2 Å²	70.2	66%	0.66	37%	0.366	S	S	*	.	H	α-helix	trans	-64.7	-25.3	177.7	0	0	0	0	0	114.4	K329 N330	K329-G333 PolarHBondContact O-N 3.36Å; N330-G333 PolarHBondContact O-N 2.64Å
334	K	78.4	Confident	71.7	Confident	155 Å²	155	71.9 Å²	71.9	67%	0.674	38%	0.378	S	S	*	.	H	α-helix	trans	-80.8	-16.4	176.8	-71.5	176.6	-179.6	-179.3	0	113.5	N330 S331 Y332	N330-K334 WeakPolarHBondContact O-CG 3.4Å; N330-K334 PolarHBondContact O-N 2.92Å; N330-K334 WeakPolarHBondContact OD1-CE 3.21Å; S331-K334 PolarHBondContact O-N 3.3Å; Y332-K334 VanDerWaalsContact C-N 3.25Å; Y332-K334 PolarHBondContact O-N 3.33Å
335	T	70.8	Confident	69.9	Low	33 Å²	33	79 Å²	79	20%	0.202	42%	0.416	C	S	.	.	S	Bend	trans	-88.1	125.7	-177.8	-54.5	0	0	0	0	110.4	P245 S331 Y332 M337	P245-T335 WeakPolarHBondContact CD-OG1 3.41Å; S331-T335 PolarHBondContact O-OG1 3.3Å; Y332-T335 PolarHBondContact O-N 3.25Å; T335-M337 HydrophobicContact CG2-CB 4.11Å; T335-M337 PolarHBondContact O-N 2.87Å
336	K	59.7	Low	68.8	Low	210 Å²	210	81.2 Å²	81.2	91%	0.913	43%	0.43	S	S	*	.			trans	-66.5	6.3	-177.8	-75.1	-174.7	176.1	179.5	0	115.4	H338	K336-H338 PolarHBondContact O-N 3.35Å
337	M	55.2	Low	68.5	Low	96 Å²	96	82.4 Å²	82.4	47%	0.473	43%	0.433	S	S	.	.			trans	-94.8	95	-171.6	-154.7	134.4	67.6	0	0	110.6	T335 N339 L340	T335-M337 HydrophobicContact CG2-CB 4.11Å; T335-M337 PolarHBondContact O-N 2.87Å; M337-N339 PolarHBondContact O-N 3.15Å; M337-N339 VanDerWaalsContact O-N 3.11Å; M337-L340 HydrophobicContact CE-CD1 4.05Å; M337-L340 PolarHBondContact O-N 2.93Å
338	H	48.8	Very low	68.6	Low	141 Å²	141	84 Å²	84	65%	0.653	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-54.6	-27.1	-179.6	-95.7	-67.1	0	0	0	114.3	K336 L340 Q341	K336-H338 PolarHBondContact O-N 3.35Å; H338-L340 VanDerWaalsContact C-N 3.33Å; H338-L340 PolarHBondContact O-N 2.89Å; H338-Q341 PolarHBondContact ND1-OE1 2.91Å; H338-Q341 WeakPolarHBondContact O-CB 3.21Å; H338-Q341 PolarHBondContact O-N 3.28Å
339	N	50.2	Low	68.8	Low	143 Å²	143	83.4 Å²	83.4	77%	0.765	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-75.1	-15.3	-173	-66.9	-6.2	0	0	0	114.7	M337	M337-N339 PolarHBondContact O-N 3.15Å; M337-N339 VanDerWaalsContact O-N 3.11Å
340	L	51.8	Low	69	Low	33 Å²	33	79.7 Å²	79.7	17%	0.173	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-91.6	-9.4	175.6	-75.9	161.7	0	0	0	113	L249 Y332 M337 H338 T342 N343	L249-L340 HydrophobicContact CD2-CD2 4.3Å; Y332-L340 HydrophobicContact CD1-CB 4.32Å; Y332-L340 HydrophobicContact CE1-CB 4.35Å; M337-L340 HydrophobicContact CE-CD1 4.05Å; M337-L340 PolarHBondContact O-N 2.93Å; H338-L340 VanDerWaalsContact C-N 3.33Å; H338-L340 PolarHBondContact O-N 2.89Å; L340-T342 PolarHBondContact O-N 3.5Å; L340-T342 VanDerWaalsContact O-N 3.16Å; L340-N343 PolarHBondContact O-N 3.22Å; L340-N343 VanDerWaalsContact O-N 3.15Å
341	Q	46.1	Very low	69.3	Low	101 Å²	101	76 Å²	76	47%	0.472	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19	179.4	-75.6	178.7	-29.6	0	0	113.2	H338 N343 C344	H338-Q341 PolarHBondContact ND1-OE1 2.91Å; H338-Q341 WeakPolarHBondContact O-CB 3.21Å; H338-Q341 PolarHBondContact O-N 3.28Å; Q341-N343 PolarHBondContact O-N 2.97Å; Q341-C344 PolarHBondContact O-N 3.28Å; Q341-C344 PolarHBondContact O-SG 3.02Å
342	T	46.8	Very low	69.6	Low	109 Å²	109	75.7 Å²	75.7	67%	0.669	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-27.3	175.4	51.3	0	0	0	0	112.7	L340	L340-T342 PolarHBondContact O-N 3.5Å; L340-T342 VanDerWaalsContact O-N 3.16Å
343	N	52.5	Low	69.9	Low	53 Å²	53	74.6 Å²	74.6	28%	0.283	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-21.6	-178.2	-76.4	-17.4	0	0	0	114.1	L340 Q341 N345 T346 W350	L340-N343 PolarHBondContact O-N 3.22Å; L340-N343 VanDerWaalsContact O-N 3.15Å; Q341-N343 PolarHBondContact O-N 2.97Å; N343-N345 PolarHBondContact O-N 3.47Å; N343-T346 PolarHBondContact O-N 3.44Å; N343-T346 PolarHBondContact O-OG1 3.15Å; N343-W350 HydrophobicContact CB-CZ2 4.16Å; N343-W350 WeakPolarHBondContact ND2-CH2 3.21Å; N343-W350 VanDerWaalsContact ND2-CZ2 3.3Å; N343-W350 WeakPolarHBondContact ND2-CZ2 3.34Å
344	C	48.9	Very low	70.5	Confident	44 Å²	44	71.9 Å²	71.9	30%	0.297	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-10.5	-175.7	71.4	0	0	0	0	114.5	Q341 T346	Q341-C344 PolarHBondContact O-N 3.28Å; Q341-C344 PolarHBondContact O-SG 3.02Å; C344-T346 PolarHBondContact O-N 3.34Å
345	N	55.2	Low	71.2	Confident	148 Å²	148	67.7 Å²	67.7	79%	0.791	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-4.6	174.6	-82.5	-11.9	0	0	0	113.5	N343	N343-N345 PolarHBondContact O-N 3.47Å
346	T	68.6	Low	72.4	Confident	57 Å²	57	67.8 Å²	67.8	35%	0.35	35%	0.352	S	S	.	.	S	Bend	trans	-82.7	140.9	173	65	0	0	0	0	110.5	N343 C344 L348	N343-T346 PolarHBondContact O-N 3.44Å; N343-T346 PolarHBondContact O-OG1 3.15Å; C344-T346 PolarHBondContact O-N 3.34Å; T346-L348 PolarHBondContact O-N 3.27Å
347	N	84.8	Confident	74	Confident	94 Å²	94	57.8 Å²	57.8	50%	0.503	31%	0.308	S	S	.	.	S	Bend	trans	-84.6	29.7	171.4	-74.9	-33.4	0	0	0	111.6	L325	L325-N347 HydrophobicContact CD1-CB 4.21Å; L325-N347 WeakPolarHBondContact CD1-O 3.39Å
348	L	93.4	Very high	75.8	Confident	51 Å²	51	53.4 Å²	53.4	27%	0.267	29%	0.287	S	S	.	.			trans	-118.5	141.9	-174	-59	179.7	0	0	0	110.9	T346 S630 W632	T346-L348 PolarHBondContact O-N 3.27Å; L348-S630 VanDerWaalsContact CD2-O 3.23Å; L348-S630 WeakPolarHBondContact CD2-O 3.39Å; L348-W632 CarbonylContact C-O 3.51Å; L348-W632 WeakPolarHBondContact CA-O 3.47Å
349	I	94.6	Very high	77.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-91.7	128.5	173.1	-57.8	-176.1	0	0	0	108.3	A320 L324 L325 I328 L354 W632 F633 S634	A320-I349 HydrophobicContact CB-CD1 3.87Å; L324-I349 HydrophobicContact CB-CD1 3.61Å; L324-I349 HydrophobicContact CD1-CD1 4.1Å; L324-I349 HydrophobicContact CG-CD1 4.5Å; L325-I349 HydrophobicContact CD2-CD1 4.49Å; L325-I349 HydrophobicContact CD2-CG1 3.64Å; L325-I349 HydrophobicContact CG-CG1 4.16Å; I328-I349 HydrophobicContact CD1-CB 3.97Å; I328-I349 HydrophobicContact CD1-CD1 4.01Å; I328-I349 HydrophobicContact CD1-CG1 3.61Å; I328-I349 HydrophobicContact CD1-CG2 3.56Å; I349-L354 HydrophobicContact CD1-CD1 4.48Å; I349-L354 HydrophobicContact CG2-CB 3.8Å; I349-L354 HydrophobicContact CG2-CD1 4.08Å; I349-W632 PolarHBondContact N-O 2.92Å; I349-F633 WeakPolarHBondContact O-CD2 3.42Å; I349-S634 PolarHBondContact O-N 3.5Å
350	W	94.1	Very high	79.5	Confident	21 Å²	21	43.9 Å²	43.9	8%	0.08	25%	0.251	C	S	.	.			trans	-79.8	149.1	175.6	-74.1	34.3	0	0	0	110.5	L249 N343 S352 D353 L354 H639	L249-W350 HydrophobicContact CD1-CE3 3.49Å; L249-W350 VanDerWaalsContact CD1-CE3 3.49Å; L249-W350 HydrophobicContact CD1-CZ3 3.52Å; L249-W350 HydrophobicContact CD2-CE3 4.41Å; L249-W350 HydrophobicContact CD2-CZ3 3.87Å; L249-W350 HydrophobicContact CG-CZ3 4.34Å; N343-W350 HydrophobicContact CB-CZ2 4.16Å; N343-W350 WeakPolarHBondContact ND2-CH2 3.21Å; N343-W350 VanDerWaalsContact ND2-CZ2 3.3Å; N343-W350 WeakPolarHBondContact ND2-CZ2 3.34Å; W350-S352 PolarHBondContact O-N 2.89Å; W350-S352 VanDerWaalsContact O-N 3.16Å; W350-D353 HydrophobicContact CB-CB 4.45Å; W350-D353 PolarHBondContact O-N 2.94Å; W350-L354 PolarHBondContact O-N 3.45Å; W350-L354 VanDerWaalsContact O-N 3.1Å; W350-H639 AromaticContact CD2-CD2 3.63Å; W350-H639 AromaticContact CE2-CD2 3.57Å; W350-H639 AromaticContact CE2-NE2 3.52Å; W350-H639 AromaticContact CE3-CD2 3.46Å; W350-H639 VanDerWaalsContact CE3-CD2 3.46Å; W350-H639 AromaticContact CH2-CD2 3.27Å; W350-H639 WeakPolarHBondContact CH2-CD2 3.32Å; W350-H639 AromaticContact CH2-NE2 3.13Å; W350-H639 WeakPolarHBondContact CH2-NE2 3.28Å; W350-H639 AromaticContact CZ2-CD2 3.44Å; W350-H639 VanDerWaalsContact CZ2-CD2 3.44Å; W350-H639 WeakPolarHBondContact CZ2-CD2 3.33Å; W350-H639 AromaticContact CZ2-CE1 3.97Å; W350-H639 AromaticContact CZ2-NE2 3.03Å; W350-H639 WeakPolarHBondContact CZ2-NE2 3.49Å; W350-H639 AromaticContact CZ3-CD2 3.27Å; W350-H639 WeakPolarHBondContact CZ3-CD2 3.16Å; W350-H639 AromaticContact CZ3-NE2 3.7Å
351	P	95.4	Very high	81	Confident	11 Å²	11	43.3 Å²	43.3	7%	0.071	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-36.9	175.2	-26.1	32.7	0	0	0	113.5	Y252 D353 P355 F633 H639 L640	Y252-P351 HydrophobicContact CE1-CB 4.17Å; Y252-P351 HydrophobicContact CE2-CB 3.77Å; Y252-P351 VanDerWaalsContact CZ-CB 3.46Å; Y252-P351 WeakPolarHBondContact OH-CB 3.4Å; P351-D353 VanDerWaalsContact C-N 3.28Å; P351-D353 PolarHBondContact O-N 3.18Å; P351-P355 WeakPolarHBondContact O-CD 3.34Å; P351-F633 HydrophobicContact CB-CE2 4.33Å; P351-F633 HydrophobicContact CB-CZ 3.83Å; P351-F633 HydrophobicContact CG-CE1 4Å; P351-F633 HydrophobicContact CG-CE2 4.11Å; P351-F633 HydrophobicContact CG-CZ 3.5Å; P351-F633 VanDerWaalsContact CG-CZ 3.5Å; P351-H639 HydrophobicContact CG-CB 4.5Å; P351-H639 WeakPolarHBondContact CG-O 3.49Å; P351-L640 HydrophobicContact CG-CD2 3.81Å
352	S	94.7	Very high	82.9	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.007	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-23.5	176.7	58.8	0	0	0	0	114.4	W350	W350-S352 PolarHBondContact O-N 2.89Å; W350-S352 VanDerWaalsContact O-N 3.16Å
353	D	95	Very high	84.4	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-17.6	-174.7	-76	-38.7	0	0	0	113.1	R248 I328 Y332 W350 P351 Y356 A357	R248-D353 IonicContact CZ-OD1 2.68Å; R248-D353 IonicContact NE-OD1 3.61Å; R248-D353 PolarHBondContact NE-OD1 2.89Å; R248-D353 IonicContact NH2-OD1 2.81Å; R248-D353 PolarHBondContact NH2-OD1 2.96Å; I328-D353 HydrophobicContact CD1-CB 4.14Å; I328-D353 HydrophobicContact CG1-CB 4.29Å; Y332-D353 WeakPolarHBondContact CE2-OD2 3.29Å; Y332-D353 PolarHBondContact OH-OD2 3.08Å; W350-D353 HydrophobicContact CB-CB 4.45Å; W350-D353 PolarHBondContact O-N 2.94Å; P351-D353 VanDerWaalsContact C-N 3.28Å; P351-D353 PolarHBondContact O-N 3.18Å; D353-Y356 WeakPolarHBondContact O-CB 3.46Å; D353-Y356 PolarHBondContact O-N 2.77Å; D353-A357 WeakPolarHBondContact O-CB 3.36Å; D353-A357 PolarHBondContact O-N 3.49Å
354	L	94.9	Very high	85.3	Confident	8 Å²	8	41.5 Å²	41.5	4%	0.042	24%	0.24	C	C	.	.	H	α-helix	trans	-63.5	-49.3	-176	179.9	63.2	0	0	0	113.1	L324 I349 W350 Y356 A357 V358 L575 W632 F633	L324-L354 HydrophobicContact CD1-CD1 3.95Å; I349-L354 HydrophobicContact CD1-CD1 4.48Å; I349-L354 HydrophobicContact CG2-CB 3.8Å; I349-L354 HydrophobicContact CG2-CD1 4.08Å; W350-L354 PolarHBondContact O-N 3.45Å; W350-L354 VanDerWaalsContact O-N 3.1Å; L354-Y356 VanDerWaalsContact C-N 3.26Å; L354-Y356 PolarHBondContact O-N 2.89Å; L354-A357 PolarHBondContact O-N 3.47Å; L354-V358 HydrophobicContact CD1-CG2 3.94Å; L354-V358 HydrophobicContact CG-CG2 4.49Å; L354-V358 WeakPolarHBondContact O-CG2 3.26Å; L354-V358 PolarHBondContact O-N 2.88Å; L354-L575 HydrophobicContact CD1-CD2 3.67Å; L354-W632 HydrophobicContact CD2-CZ3 4.35Å; L354-F633 HydrophobicContact CB-CE2 4.48Å; L354-F633 HydrophobicContact CD2-CD2 4.46Å; L354-F633 HydrophobicContact CD2-CE2 3.99Å
355	P	94.6	Very high	86.4	Confident	66 Å²	66	39.8 Å²	39.8	43%	0.429	23%	0.228	S	C	.	.	H	α-helix	trans	-61.2	-37.2	179	-21.6	33.7	0	0	0	112	P351 G359	P351-P355 WeakPolarHBondContact O-CD 3.34Å; P355-G359 PolarHBondContact O-N 2.9Å
356	Y	94.8	Very high	86.9	Confident	36 Å²	36	35.1 Å²	35.1	14%	0.141	21%	0.206	C	C	.	.	H	α-helix	trans	-60.4	-51.9	173.8	176.3	-105.2	0	0	0	112.1	S240 I327 D353 L354 V358 G359 V360	S240-Y356 VanDerWaalsContact O-CB 3.26Å; S240-Y356 WeakPolarHBondContact O-CB 3.48Å; S240-Y356 PolarHBondContact O-N 2.69Å; I327-Y356 HydrophobicContact CG2-CE1 4.03Å; D353-Y356 WeakPolarHBondContact O-CB 3.46Å; D353-Y356 PolarHBondContact O-N 2.77Å; L354-Y356 VanDerWaalsContact C-N 3.26Å; L354-Y356 PolarHBondContact O-N 2.89Å; Y356-V358 VanDerWaalsContact C-N 3.34Å; Y356-V358 PolarHBondContact O-N 3.33Å; Y356-G359 PolarHBondContact O-N 3.04Å; Y356-V360 HydrophobicContact CD1-CG2 4.35Å; Y356-V360 HydrophobicContact CD2-CG2 3.9Å; Y356-V360 HydrophobicContact CE1-CG2 3.99Å; Y356-V360 HydrophobicContact CE2-CG2 3.48Å; Y356-V360 VanDerWaalsContact CE2-CG2 3.48Å; Y356-V360 HydrophobicContact CG-CG2 4.31Å; Y356-V360 WeakPolarHBondContact O-CB 3.5Å; Y356-V360 VanDerWaalsContact O-CG2 3.3Å; Y356-V360 WeakPolarHBondContact O-CG2 3.39Å; Y356-V360 PolarHBondContact O-N 3.34Å
357	A	93.1	Very high	86.9	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-63.1	-41.9	-175	0	0	0	0	0	111.9	L324 I327 I328 D353 L354	L324-A357 HydrophobicContact CB-CB 4.05Å; L324-A357 HydrophobicContact CD2-CB 4.28Å; I327-A357 WeakPolarHBondContact CD1-O 3.46Å; I328-A357 HydrophobicContact CD1-CB 4.05Å; I328-A357 HydrophobicContact CG1-CB 3.9Å; D353-A357 WeakPolarHBondContact O-CB 3.36Å; D353-A357 PolarHBondContact O-N 3.49Å; L354-A357 PolarHBondContact O-N 3.47Å
358	V	92.6	Very high	85.9	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.024	21%	0.211	C	C	.	.	H	α-helix	trans	-65.8	-48.6	174.7	175.2	0	0	0	0	110.4	L324 L354 Y356 V360 K361 R362	L324-V358 HydrophobicContact CD1-CG2 3.84Å; L324-V358 HydrophobicContact CD2-CG2 4.46Å; L354-V358 HydrophobicContact CD1-CG2 3.94Å; L354-V358 HydrophobicContact CG-CG2 4.49Å; L354-V358 WeakPolarHBondContact O-CG2 3.26Å; L354-V358 PolarHBondContact O-N 2.88Å; Y356-V358 VanDerWaalsContact C-N 3.34Å; Y356-V358 PolarHBondContact O-N 3.33Å; V358-V360 PolarHBondContact O-N 3.48Å; V358-K361 PolarHBondContact O-N 3.42Å; V358-R362 HydrophobicContact CG1-CG 4.3Å; V358-R362 PolarHBondContact O-N 2.94Å
359	G	90.3	Very high	85.2	Confident	35 Å²	35	40.1 Å²	40.1	36%	0.361	23%	0.226	S	C	.	.	H	α-helix	trans	-59.5	-45	-178.8	0	0	0	0	0	113.6	P355 Y356 K361 R362 Q363	P355-G359 PolarHBondContact O-N 2.9Å; Y356-G359 PolarHBondContact O-N 3.04Å; G359-K361 VanDerWaalsContact C-N 3.3Å; G359-K361 PolarHBondContact O-N 3.1Å; G359-R362 PolarHBondContact O-N 3.2Å; G359-Q363 VanDerWaalsContact O-CB 3.31Å; G359-Q363 WeakPolarHBondContact O-CB 3.48Å; G359-Q363 PolarHBondContact O-N 3.19Å
360	V	88.1	Confident	84.9	Confident	49 Å²	49	40.6 Å²	40.6	30%	0.297	23%	0.228	S	C	.	.	H	α-helix	trans	-59.3	-40.2	177.9	167.7	0	0	0	0	111.8	I327 Y356 V358 A364	I327-V360 HydrophobicContact CG2-CB 4.18Å; I327-V360 HydrophobicContact CG2-CG1 3.97Å; Y356-V360 HydrophobicContact CD1-CG2 4.35Å; Y356-V360 HydrophobicContact CD2-CG2 3.9Å; Y356-V360 HydrophobicContact CE1-CG2 3.99Å; Y356-V360 HydrophobicContact CE2-CG2 3.48Å; Y356-V360 VanDerWaalsContact CE2-CG2 3.48Å; Y356-V360 HydrophobicContact CG-CG2 4.31Å; Y356-V360 WeakPolarHBondContact O-CB 3.5Å; Y356-V360 VanDerWaalsContact O-CG2 3.3Å; Y356-V360 WeakPolarHBondContact O-CG2 3.39Å; Y356-V360 PolarHBondContact O-N 3.34Å; V358-V360 PolarHBondContact O-N 3.48Å; V360-A364 PolarHBondContact O-N 2.73Å; V360-A364 VanDerWaalsContact O-N 3.14Å
361	K	82.3	Confident	84.7	Confident	20 Å²	20	42 Å²	42	9%	0.087	24%	0.239	C	C	.	.	H	α-helix	trans	-74.1	-43	178.1	-81.1	-73.4	-172.2	176.1	0	112.8	I327 V358 G359 Q363 A364 L571 L746 E750	I327-K361 HydrophobicContact CD1-CB 4.45Å; I327-K361 HydrophobicContact CD1-CD 4.03Å; I327-K361 HydrophobicContact CD1-CG 3.27Å; I327-K361 HydrophobicContact CG1-CG 4.48Å; V358-K361 PolarHBondContact O-N 3.42Å; G359-K361 VanDerWaalsContact C-N 3.3Å; G359-K361 PolarHBondContact O-N 3.1Å; K361-Q363 VanDerWaalsContact C-N 3.31Å; K361-Q363 PolarHBondContact O-N 2.61Å; K361-A364 WeakPolarHBondContact O-CB 3.47Å; K361-A364 PolarHBondContact O-N 3.15Å; K361-L571 HydrophobicContact CB-CD2 3.27Å; K361-L571 HydrophobicContact CG-CD2 3.83Å; K361-L746 HydrophobicContact CD-CD1 4.06Å; K361-L746 HydrophobicContact CD-CD2 3.91Å; K361-E750 IonicContact NZ-OE1 2.76Å; K361-E750 PolarHBondContact NZ-OE1 2.68Å; K361-E750 IonicContact NZ-OE2 2.74Å
362	R	85.3	Confident	84.5	Confident	40 Å²	40	43.7 Å²	43.7	15%	0.151	25%	0.248	C	C	.	.	H	α-helix	trans	-59	-45.9	175.3	-72.6	-179.3	177.6	160.3	1.3	109.9	V358 G359 A364 L365 C366 L569 L571 E576	V358-R362 HydrophobicContact CG1-CG 4.3Å; V358-R362 PolarHBondContact O-N 2.94Å; G359-R362 PolarHBondContact O-N 3.2Å; R362-A364 VanDerWaalsContact C-N 3.33Å; R362-A364 PolarHBondContact O-N 3.16Å; R362-L365 WeakPolarHBondContact O-CA 3.38Å; R362-L365 WeakPolarHBondContact O-CB 3.35Å; R362-L365 PolarHBondContact O-N 3.36Å; R362-C366 PolarHBondContact O-N 2.9Å; R362-C366 PolarHBondContact O-SG 2.97Å; R362-L569 PolarHBondContact NE-O 3.36Å; R362-L569 PolarHBondContact NH2-O 2.94Å; R362-L571 PolarHBondContact NE-O 3.06Å; R362-L571 VanDerWaalsContact NE-O 3.12Å; R362-L571 PolarHBondContact NH2-O 2.98Å; R362-E576 IonicContact CZ-OE1 2.58Å; R362-E576 IonicContact CZ-OE2 2.74Å; R362-E576 IonicContact NH1-OE1 3.58Å; R362-E576 PolarHBondContact NH1-OE1 3.1Å; R362-E576 IonicContact NH1-OE2 3.78Å; R362-E576 PolarHBondContact NH1-OE2 2.96Å; R362-E576 IonicContact NH2-OE1 3.34Å; R362-E576 PolarHBondContact NH2-OE1 3.49Å; R362-E576 IonicContact NH2-OE2 2.92Å; R362-E576 PolarHBondContact NH2-OE2 3.47Å
363	Q	78.3	Confident	84.5	Confident	110 Å²	110	44.4 Å²	44.4	51%	0.514	25%	0.25	S	S	.	.	H	α-helix	trans	-61.6	-36.2	177.2	-170.8	179.9	13.6	0	0	113.4	G359 K361 L365 C366	G359-Q363 VanDerWaalsContact O-CB 3.31Å; G359-Q363 WeakPolarHBondContact O-CB 3.48Å; G359-Q363 PolarHBondContact O-N 3.19Å; K361-Q363 VanDerWaalsContact C-N 3.31Å; K361-Q363 PolarHBondContact O-N 2.61Å; Q363-L365 PolarHBondContact O-N 3.3Å; Q363-L365 VanDerWaalsContact O-N 3.14Å; Q363-C366 PolarHBondContact O-N 3.41Å
364	A	73.2	Confident	84.5	Confident	76 Å²	76	44.4 Å²	44.4	63%	0.628	25%	0.25	S	S	*	.	H	α-helix	trans	-62.8	-16.9	175.1	0	0	0	0	0	113.3	V360 K361 R362	V360-A364 PolarHBondContact O-N 2.73Å; V360-A364 VanDerWaalsContact O-N 3.14Å; K361-A364 WeakPolarHBondContact O-CB 3.47Å; K361-A364 PolarHBondContact O-N 3.15Å; R362-A364 VanDerWaalsContact C-N 3.33Å; R362-A364 PolarHBondContact O-N 3.16Å
365	L	70.6	Confident	84.5	Confident	8 Å²	8	44.1 Å²	44.1	4%	0.042	25%	0.249	C	C	.	.	H	α-helix	trans	-101.1	-7.9	175.7	-59.4	173.6	0	0	0	112.6	R362 Q363 L745 L746 I749	R362-L365 WeakPolarHBondContact O-CA 3.38Å; R362-L365 WeakPolarHBondContact O-CB 3.35Å; R362-L365 PolarHBondContact O-N 3.36Å; Q363-L365 PolarHBondContact O-N 3.3Å; Q363-L365 VanDerWaalsContact O-N 3.14Å; L365-L745 HydrophobicContact CD2-CD2 4.11Å; L365-L745 HydrophobicContact CD2-CG 4.29Å; L365-L746 HydrophobicContact CD1-CD2 3.94Å; L365-L746 HydrophobicContact CD1-CG 4.22Å; L365-L746 HydrophobicContact CD2-CD2 3.88Å; L365-L746 HydrophobicContact CG-CD2 4.05Å; L365-I749 HydrophobicContact CD2-CD1 3.34Å
366	C	67.3	Low	84.6	Confident	50 Å²	50	41.1 Å²	41.1	34%	0.338	23%	0.229	S	C	.	.			trans	-89.5	136.2	-179.3	-61.3	0	0	0	0	111.9	R362 Q363 L565	R362-C366 PolarHBondContact O-N 2.9Å; R362-C366 PolarHBondContact O-SG 2.97Å; Q363-C366 PolarHBondContact O-N 3.41Å; C366-L565 HydrophobicContact CB-CD1 4.29Å; C366-L565 WeakPolarHBondContact SG-CD1 3.48Å
367	S	67.1	Low	84.7	Confident	45 Å²	45	39.4 Å²	39.4	32%	0.315	22%	0.223	S	C	.	.			trans	-98	121	162.1	179.7	0	0	0	0	110	H369 L370	S367-H369 PolarHBondContact O-N 3.33Å; S367-L370 PolarHBondContact O-N 2.98Å
368	H	64.9	Low	84.8	Confident	137 Å²	137	39.4 Å²	39.4	63%	0.634	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-59.5	-15.1	178.8	-73.1	-70	0	0	0	113.9	L370 T371	H368-L370 VanDerWaalsContact C-N 3.33Å; H368-T371 PolarHBondContact O-OG1 3.29Å
369	H	78.4	Confident	85	Confident	125 Å²	125	39.2 Å²	39.2	58%	0.579	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-80.3	-9.3	-178.6	-59.9	-63.5	0	0	0	114.1	S367	S367-H369 PolarHBondContact O-N 3.33Å
370	L	87.2	Confident	85.4	Confident	9 Å²	9	37.6 Å²	37.6	5%	0.047	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-71.5	-30.2	-177.7	-68.5	175.5	0	0	0	113.3	S367 H368 D372 Y373 F374 E558 A561 L562 L565	S367-L370 PolarHBondContact O-N 2.98Å; H368-L370 VanDerWaalsContact C-N 3.33Å; L370-D372 PolarHBondContact O-N 3.33Å; L370-Y373 WeakPolarHBondContact O-CB 3.27Å; L370-Y373 PolarHBondContact O-N 3.08Å; L370-F374 HydrophobicContact CB-CE2 4.33Å; L370-F374 WeakPolarHBondContact O-CD2 3.13Å; L370-E558 HydrophobicContact CD2-CB 4.26Å; L370-A561 HydrophobicContact CD1-CB 4.46Å; L370-A561 HydrophobicContact CD2-CB 4.44Å; L370-L562 HydrophobicContact CD1-CB 4.39Å; L370-L562 HydrophobicContact CD2-CB 4.41Å; L370-L565 HydrophobicContact CD1-CB 4.45Å; L370-L565 HydrophobicContact CD1-CD2 3.86Å
371	T	90.2	Very high	85.8	Confident	51 Å²	51	37.1 Å²	37.1	31%	0.313	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-63.3	-25.3	-179.2	51	0	0	0	0	113	H368 Y373 F374	H368-T371 PolarHBondContact O-OG1 3.29Å; T371-Y373 PolarHBondContact O-N 3.3Å; T371-F374 PolarHBondContact O-N 2.99Å; T371-F374 VanDerWaalsContact O-N 3.12Å
372	D	92.7	Very high	86.5	Confident	46 Å²	46	36.2 Å²	36.2	25%	0.246	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-65.5	-15.6	175.3	-78.3	-42.8	0	0	0	113.1	L370 H547 W548	L370-D372 PolarHBondContact O-N 3.33Å; D372-H547 CarbonylContact O-C 3.48Å; D372-H547 WeakPolarHBondContact O-CA 3.3Å; D372-W548 PolarHBondContact O-N 2.85Å; D372-W548 PolarHBondContact OD1-NE1 3.46Å
373	Y	94	Very high	87.1	Confident	16 Å²	16	34.3 Å²	34.3	6%	0.063	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-93.1	-13.5	176.2	-65.8	-90.4	0	0	0	113.7	L370 T371 R546 H547 P554 E558	L370-Y373 WeakPolarHBondContact O-CB 3.27Å; L370-Y373 PolarHBondContact O-N 3.08Å; T371-Y373 PolarHBondContact O-N 3.3Å; Y373-R546 WeakPolarHBondContact CA-O 3.24Å; Y373-R546 PolarHBondContact O-N 3.48Å; Y373-H547 HydrophobicContact CD1-CB 3.88Å; Y373-H547 HydrophobicContact CE1-CB 3.63Å; Y373-P554 HydrophobicContact CD1-CB 4.23Å; Y373-P554 HydrophobicContact CD1-CG 3.63Å; Y373-P554 HydrophobicContact CE1-CB 4.1Å; Y373-P554 HydrophobicContact CE1-CG 3.97Å; Y373-P554 HydrophobicContact CG-CG 4.18Å; Y373-E558 HydrophobicContact CE2-CB 4.49Å; Y373-E558 HydrophobicContact CE2-CG 3.97Å; Y373-E558 PolarHBondContact OH-OE1 3.46Å; Y373-E558 PolarHBondContact OH-OE2 2.95Å; Y373-E558 VanDerWaalsContact OH-OE2 3.05Å
374	F	95	Very high	88.1	Confident	2 Å²	2	30 Å²	30	1%	0.009	17%	0.17	C	C	.	.			trans	-106	60	-174.8	-64	-62.8	0	0	0	111.8	L370 T371 L486 I488 V491 V541 Y544 A545 L562	L370-F374 HydrophobicContact CB-CE2 4.33Å; L370-F374 WeakPolarHBondContact O-CD2 3.13Å; T371-F374 PolarHBondContact O-N 2.99Å; T371-F374 VanDerWaalsContact O-N 3.12Å; F374-L486 PolarHBondContact O-N 3.35Å; F374-I488 HydrophobicContact CD2-CD1 3.99Å; F374-I488 HydrophobicContact CE2-CD1 3.58Å; F374-I488 HydrophobicContact CZ-CD1 4.41Å; F374-V491 HydrophobicContact CB-CG2 3.93Å; F374-V491 HydrophobicContact CD1-CG1 4.48Å; F374-V491 HydrophobicContact CD1-CG2 3.91Å; F374-V491 HydrophobicContact CD2-CG2 4.49Å; F374-V491 HydrophobicContact CG-CG2 3.87Å; F374-V541 HydrophobicContact CE1-CG1 3.73Å; F374-V541 HydrophobicContact CE1-CG2 4.41Å; F374-V541 HydrophobicContact CZ-CG1 3.78Å; F374-Y544 HydrophobicContact CD1-CE2 4.17Å; F374-Y544 HydrophobicContact CE1-CE2 4.13Å; F374-Y544 WeakPolarHBondContact CE1-OH 3.27Å; F374-A545 HydrophobicContact CE1-CB 4.41Å; F374-L562 HydrophobicContact CZ-CD1 4.15Å
375	S	95.5	Very high	89.2	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.007	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-68.7	147	164.8	70.7	0	0	0	0	110.8	N33 G377 A378 C379 P484	N33-S375 PolarHBondContact ND2-OG 3.41Å; N33-S375 VanDerWaalsContact ND2-OG 3.09Å; N33-S375 VanDerWaalsContact OD1-CB 3.3Å; N33-S375 WeakPolarHBondContact OD1-CB 3.33Å; N33-S375 PolarHBondContact OD1-OG 2.81Å; S375-G377 PolarHBondContact O-N 3.36Å; S375-A378 WeakPolarHBondContact O-CA 3.19Å; S375-A378 WeakPolarHBondContact O-CB 3.19Å; S375-A378 PolarHBondContact O-N 2.89Å; S375-A378 VanDerWaalsContact OG-CB 3.3Å; S375-A378 WeakPolarHBondContact OG-CB 3.34Å; S375-A378 PolarHBondContact OG-N 3.48Å; S375-C379 PolarHBondContact O-N 3.29Å; S375-C379 PolarHBondContact O-SG 3.16Å; S375-P484 CarbonylContact C-O 3.58Å; S375-P484 WeakPolarHBondContact CA-O 3.34Å
376	L	96	Very high	90.5	Very high	4 Å²	4	28.1 Å²	28.1	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-50.5	-44.9	179.4	-179.9	59.6	0	0	0	111.9	F32 A378 C379 M380 L433 L434 P484 L486 L494	F32-L376 HydrophobicContact CB-CD2 4.42Å; F32-L376 HydrophobicContact CB-CG 4.16Å; F32-L376 HydrophobicContact CD1-CD2 4.15Å; F32-L376 HydrophobicContact CD1-CG 4.28Å; L376-A378 PolarHBondContact O-N 3.42Å; L376-C379 PolarHBondContact O-N 3.37Å; L376-M380 HydrophobicContact CD1-CG 4.43Å; L376-M380 WeakPolarHBondContact O-CB 3.4Å; L376-M380 VanDerWaalsContact O-CG 3.24Å; L376-M380 WeakPolarHBondContact O-CG 3.33Å; L376-M380 PolarHBondContact O-N 3.49Å; L376-L433 HydrophobicContact CD1-CD1 3.91Å; L376-L433 HydrophobicContact CD2-CB 4.32Å; L376-L433 HydrophobicContact CD2-CD1 4.31Å; L376-L434 HydrophobicContact CD2-CD2 4.12Å; L376-P484 HydrophobicContact CB-CB 4.08Å; L376-P484 HydrophobicContact CB-CG 4.37Å; L376-P484 HydrophobicContact CD2-CB 4.47Å; L376-P484 HydrophobicContact CD2-CG 4.31Å; L376-P484 PolarHBondContact N-O 3.33Å; L376-L486 HydrophobicContact CB-CD1 3.77Å; L376-L486 HydrophobicContact CD1-CD1 4.06Å; L376-L486 HydrophobicContact CD1-CD2 4.34Å; L376-L494 HydrophobicContact CD1-CD2 4.14Å
377	G	95.9	Very high	92	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.7	-36.7	176.7	0	0	0	0	0	114.3	A29 N33 S375 M380 E381	A29-G377 WeakPolarHBondContact CA-O 3.37Å; A29-G377 WeakPolarHBondContact CB-O 3.44Å; A29-G377 WeakPolarHBondContact O-CA 3.27Å; N33-G377 WeakPolarHBondContact OD1-CA 3.32Å; N33-G377 PolarHBondContact OD1-N 2.92Å; S375-G377 PolarHBondContact O-N 3.36Å; G377-M380 PolarHBondContact O-N 3.1Å; G377-E381 PolarHBondContact O-N 3.33Å
378	A	96	Very high	93.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.8	-42.5	174.4	0	0	0	0	0	111.2	L25 S375 L376 M380 E381 G382 Y544	L25-A378 HydrophobicContact CD1-CB 4.37Å; S375-A378 WeakPolarHBondContact O-CA 3.19Å; S375-A378 WeakPolarHBondContact O-CB 3.19Å; S375-A378 PolarHBondContact O-N 2.89Å; S375-A378 VanDerWaalsContact OG-CB 3.3Å; S375-A378 WeakPolarHBondContact OG-CB 3.34Å; S375-A378 PolarHBondContact OG-N 3.48Å; L376-A378 PolarHBondContact O-N 3.42Å; A378-M380 VanDerWaalsContact C-N 3.33Å; A378-M380 PolarHBondContact O-N 3.31Å; A378-E381 VanDerWaalsContact O-CB 3.29Å; A378-E381 WeakPolarHBondContact O-CB 3.34Å; A378-E381 PolarHBondContact O-N 2.94Å; A378-E381 VanDerWaalsContact O-N 3.16Å; A378-G382 PolarHBondContact O-N 3.47Å; A378-G382 VanDerWaalsContact O-N 3.11Å; A378-Y544 WeakPolarHBondContact O-CD2 3.28Å
379	C	97.6	Very high	95	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-64.7	-39.3	176.7	-57.2	0	0	0	0	111.7	S375 L376 E381 G382 V383 L486 L494 F495	S375-C379 PolarHBondContact O-N 3.29Å; S375-C379 PolarHBondContact O-SG 3.16Å; L376-C379 PolarHBondContact O-N 3.37Å; C379-E381 VanDerWaalsContact C-N 3.3Å; C379-E381 PolarHBondContact O-N 3.35Å; C379-G382 PolarHBondContact O-N 3.42Å; C379-G382 VanDerWaalsContact O-N 3.1Å; C379-V383 PolarHBondContact O-N 3Å; C379-V383 VanDerWaalsContact O-N 3.09Å; C379-L486 HydrophobicContact CB-CD2 4.47Å; C379-L494 HydrophobicContact CB-CD2 3.53Å; C379-F495 HydrophobicContact CB-CE2 4.36Å
380	M	97.7	Very high	95.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63	-34.3	172.8	-72.8	-61	-60.6	0	0	112.9	L28 F32 L376 G377 A378 G382 V383 S384 L433 L494 W498	L28-M380 HydrophobicContact CD2-CB 3.82Å; L28-M380 VanDerWaalsContact CD2-O 3.28Å; L28-M380 WeakPolarHBondContact CD2-O 3.32Å; F32-M380 HydrophobicContact CB-CG 4.18Å; F32-M380 HydrophobicContact CD1-CG 3.94Å; F32-M380 HydrophobicContact CD2-CB 4Å; F32-M380 HydrophobicContact CD2-CE 4.07Å; F32-M380 HydrophobicContact CD2-CG 3.78Å; F32-M380 HydrophobicContact CE1-CE 4.07Å; F32-M380 HydrophobicContact CE1-CG 4.29Å; F32-M380 HydrophobicContact CE1-SD 4.36Å; F32-M380 HydrophobicContact CE2-CB 4.49Å; F32-M380 HydrophobicContact CE2-CE 3.46Å; F32-M380 VanDerWaalsContact CE2-CE 3.46Å; F32-M380 HydrophobicContact CE2-CG 4.15Å; F32-M380 HydrophobicContact CE2-SD 4.48Å; F32-M380 HydrophobicContact CG-CB 4.27Å; F32-M380 HydrophobicContact CG-CG 3.69Å; F32-M380 HydrophobicContact CZ-CE 3.46Å; F32-M380 VanDerWaalsContact CZ-CE 3.46Å; F32-M380 HydrophobicContact CZ-CG 4.4Å; F32-M380 HydrophobicContact CZ-SD 4.33Å; L376-M380 HydrophobicContact CD1-CG 4.43Å; L376-M380 WeakPolarHBondContact O-CB 3.4Å; L376-M380 VanDerWaalsContact O-CG 3.24Å; L376-M380 WeakPolarHBondContact O-CG 3.33Å; L376-M380 PolarHBondContact O-N 3.49Å; G377-M380 PolarHBondContact O-N 3.1Å; A378-M380 VanDerWaalsContact C-N 3.33Å; A378-M380 PolarHBondContact O-N 3.31Å; M380-G382 VanDerWaalsContact C-N 3.33Å; M380-V383 PolarHBondContact O-N 3.04Å; M380-S384 WeakPolarHBondContact O-CB 3.33Å; M380-S384 PolarHBondContact O-N 2.95Å; M380-L433 HydrophobicContact SD-CD1 4.28Å; M380-L494 HydrophobicContact SD-CD1 4.05Å; M380-L494 HydrophobicContact SD-CD2 4.2Å; M380-W498 HydrophobicContact CE-CH2 4.49Å; M380-W498 HydrophobicContact CE-CZ2 3.38Å; M380-W498 HydrophobicContact SD-CZ2 4.45Å; M380-W498 PolarHBondContact SD-NE1 3.06Å
381	E	96.4	Very high	96.4	Very high	40 Å²	40	16.7 Å²	16.7	19%	0.187	9%	0.091	C	C	.	.	H	α-helix	trans	-62.3	-41.3	171.1	-178.7	62.1	-164.1	0	0	111.4	S26 A29 G377 A378 C379 S384 Q385	S26-E381 WeakPolarHBondContact CB-OE2 3.49Å; S26-E381 PolarHBondContact OG-OE2 2.93Å; A29-E381 HydrophobicContact CB-CB 4.26Å; G377-E381 PolarHBondContact O-N 3.33Å; A378-E381 VanDerWaalsContact O-CB 3.29Å; A378-E381 WeakPolarHBondContact O-CB 3.34Å; A378-E381 PolarHBondContact O-N 2.94Å; A378-E381 VanDerWaalsContact O-N 3.16Å; C379-E381 VanDerWaalsContact C-N 3.3Å; C379-E381 PolarHBondContact O-N 3.35Å; E381-S384 WeakPolarHBondContact O-CB 3.46Å; E381-S384 PolarHBondContact O-N 2.82Å; E381-Q385 HydrophobicContact CG-CG 4.47Å; E381-Q385 VanDerWaalsContact O-CG 3.28Å; E381-Q385 WeakPolarHBondContact O-CG 3.49Å; E381-Q385 PolarHBondContact O-N 3.48Å; E381-Q385 PolarHBondContact OE1-NE2 3.29Å
382	G	97.5	Very high	96.7	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-59.5	-46.4	174.9	0	0	0	0	0	112.8	A378 C379 M380 S384 Q385 L386 Y544	A378-G382 PolarHBondContact O-N 3.47Å; A378-G382 VanDerWaalsContact O-N 3.11Å; C379-G382 PolarHBondContact O-N 3.42Å; C379-G382 VanDerWaalsContact O-N 3.1Å; M380-G382 VanDerWaalsContact C-N 3.33Å; G382-S384 VanDerWaalsContact C-N 3.33Å; G382-S384 PolarHBondContact O-N 2.99Å; G382-Q385 PolarHBondContact O-N 2.98Å; G382-L386 WeakPolarHBondContact O-CG 3.27Å; G382-L386 PolarHBondContact O-N 3.15Å; G382-Y544 VanDerWaalsContact CA-CG 3.45Å
383	V	98.2	Very high	96.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-57.1	-46.5	173.3	171.5	0	0	0	0	111.3	C379 M380 Q385 L386 A387 L395 F495 W498	C379-V383 PolarHBondContact O-N 3Å; C379-V383 VanDerWaalsContact O-N 3.09Å; M380-V383 PolarHBondContact O-N 3.04Å; V383-Q385 PolarHBondContact O-N 3.07Å; V383-L386 PolarHBondContact O-N 3.27Å; V383-A387 VanDerWaalsContact O-CB 3.31Å; V383-A387 WeakPolarHBondContact O-CB 3.37Å; V383-A387 PolarHBondContact O-N 2.77Å; V383-L395 HydrophobicContact CG1-CD1 4.14Å; V383-F495 HydrophobicContact CG2-CD2 4.15Å; V383-F495 HydrophobicContact CG2-CE1 4.37Å; V383-F495 HydrophobicContact CG2-CE2 4Å; V383-F495 HydrophobicContact CG2-CG 4.42Å; V383-F495 HydrophobicContact CG2-CZ 4.11Å; V383-W498 HydrophobicContact CB-CG 4.4Å; V383-W498 HydrophobicContact CG1-CB 3.94Å; V383-W498 HydrophobicContact CG1-CD2 3.42Å; V383-W498 VanDerWaalsContact CG1-CD2 3.42Å; V383-W498 HydrophobicContact CG1-CE3 3.69Å; V383-W498 HydrophobicContact CG1-CG 3.51Å; V383-W498 HydrophobicContact CG1-CZ3 4.37Å; V383-W498 HydrophobicContact CG2-CB 4.21Å; V383-W498 HydrophobicContact CG2-CG 4.02Å
384	S	97.8	Very high	96.9	Very high	20 Å²	20	17.4 Å²	17.4	14%	0.14	9%	0.089	C	C	.	.	H	α-helix	trans	-61.8	-43.4	179.1	-174.8	0	0	0	0	112.3	M380 E381 G382 A387 N388	M380-S384 WeakPolarHBondContact O-CB 3.33Å; M380-S384 PolarHBondContact O-N 2.95Å; E381-S384 WeakPolarHBondContact O-CB 3.46Å; E381-S384 PolarHBondContact O-N 2.82Å; G382-S384 VanDerWaalsContact C-N 3.33Å; G382-S384 PolarHBondContact O-N 2.99Å; S384-A387 PolarHBondContact O-N 2.92Å; S384-N388 WeakPolarHBondContact O-CB 3.31Å; S384-N388 PolarHBondContact O-N 2.98Å
385	Q	97.5	Very high	97	Very high	45 Å²	45	17.6 Å²	17.6	21%	0.21	9%	0.09	C	C	.	.	H	α-helix	trans	-63.1	-44.8	177.9	-71.7	172.9	6.6	0	0	111.6	E381 G382 V383 N388 C389 W680	E381-Q385 HydrophobicContact CG-CG 4.47Å; E381-Q385 VanDerWaalsContact O-CG 3.28Å; E381-Q385 WeakPolarHBondContact O-CG 3.49Å; E381-Q385 PolarHBondContact O-N 3.48Å; E381-Q385 PolarHBondContact OE1-NE2 3.29Å; G382-Q385 PolarHBondContact O-N 2.98Å; V383-Q385 PolarHBondContact O-N 3.07Å; Q385-N388 PolarHBondContact O-N 3.37Å; Q385-C389 VanDerWaalsContact O-CB 3.28Å; Q385-C389 WeakPolarHBondContact O-CB 3.46Å; Q385-C389 PolarHBondContact O-N 2.86Å; Q385-W680 HydrophobicContact CB-CH2 3.79Å; Q385-W680 HydrophobicContact CB-CZ3 3.96Å
386	L	98.4	Very high	97	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-64.7	-45.8	176.5	-72.1	167	0	0	0	111.7	G382 V383 N388 C389 L390 F495 F531 F534 V540 W680	G382-L386 WeakPolarHBondContact O-CG 3.27Å; G382-L386 PolarHBondContact O-N 3.15Å; V383-L386 PolarHBondContact O-N 3.27Å; L386-N388 VanDerWaalsContact C-N 3.26Å; L386-N388 PolarHBondContact O-N 3.44Å; L386-C389 PolarHBondContact O-N 3Å; L386-L390 HydrophobicContact CB-CD1 4.47Å; L386-L390 HydrophobicContact CD2-CD1 4.23Å; L386-L390 VanDerWaalsContact O-CB 3.3Å; L386-L390 WeakPolarHBondContact O-CB 3.16Å; L386-L390 WeakPolarHBondContact O-CG 3.39Å; L386-L390 PolarHBondContact O-N 3.2Å; L386-F495 HydrophobicContact CD1-CD1 4.21Å; L386-F495 HydrophobicContact CD1-CE1 3.59Å; L386-F531 HydrophobicContact CB-CZ 3.9Å; L386-F531 HydrophobicContact CD1-CE1 4.11Å; L386-F531 HydrophobicContact CD1-CZ 4.04Å; L386-F534 HydrophobicContact CD1-CB 3.63Å; L386-F534 HydrophobicContact CD1-CD1 4.39Å; L386-F534 HydrophobicContact CD1-CG 4.17Å; L386-F534 HydrophobicContact CD2-CB 4.34Å; L386-F534 HydrophobicContact CD2-CD1 3.63Å; L386-F534 HydrophobicContact CD2-CE1 4.29Å; L386-F534 HydrophobicContact CD2-CG 4.24Å; L386-V540 HydrophobicContact CD1-CG1 4.06Å; L386-V540 HydrophobicContact CD2-CG1 4.18Å; L386-V540 HydrophobicContact CD2-CG2 4.45Å; L386-V540 HydrophobicContact CG-CG1 4.26Å; L386-W680 HydrophobicContact CD2-CE3 3.9Å; L386-W680 HydrophobicContact CD2-CH2 3.94Å; L386-W680 HydrophobicContact CD2-CZ3 3.58Å; L386-W680 HydrophobicContact CG-CH2 4.09Å; L386-W680 HydrophobicContact CG-CZ3 3.93Å
387	A	98.1	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-58.8	-39.3	177.6	0	0	0	0	0	111.8	V383 S384 F391 G392 L393 L395 L502	V383-A387 VanDerWaalsContact O-CB 3.31Å; V383-A387 WeakPolarHBondContact O-CB 3.37Å; V383-A387 PolarHBondContact O-N 2.77Å; S384-A387 PolarHBondContact O-N 2.92Å; A387-F391 CarbonylContact O-C 3.07Å; A387-F391 WeakPolarHBondContact O-CB 3.08Å; A387-F391 PolarHBondContact O-N 3.5Å; A387-G392 PolarHBondContact O-N 3.42Å; A387-L393 HydrophobicContact CB-CB 4.13Å; A387-L393 WeakPolarHBondContact O-CB 3.44Å; A387-L393 PolarHBondContact O-N 3.3Å; A387-L395 HydrophobicContact CB-CD1 4.47Å; A387-L502 HydrophobicContact CB-CD2 3.97Å
388	N	96.8	Very high	97	Very high	82 Å²	82	23.7 Å²	23.7	44%	0.439	13%	0.126	S	C	.	.	H	α-helix	trans	-69	-50.4	174.7	-176.3	32.5	0	0	0	112.4	S384 Q385 L386 G392 L393 N418	S384-N388 WeakPolarHBondContact O-CB 3.31Å; S384-N388 PolarHBondContact O-N 2.98Å; Q385-N388 PolarHBondContact O-N 3.37Å; L386-N388 VanDerWaalsContact C-N 3.26Å; L386-N388 PolarHBondContact O-N 3.44Å; N388-G392 WeakPolarHBondContact O-CA 3.42Å; N388-G392 PolarHBondContact O-N 3.5Å; N388-L393 WeakPolarHBondContact CA-O 3.23Å; N388-L393 VanDerWaalsContact CB-O 3.22Å; N388-L393 WeakPolarHBondContact CB-O 3.32Å; N388-L393 PolarHBondContact N-O 3.02Å; N388-N418 PolarHBondContact OD1-ND2 2.98Å
389	C	97.3	Very high	96.8	Very high	37 Å²	37	28.5 Å²	28.5	25%	0.25	16%	0.157	C	C	.	.	H	α-helix	trans	-67.9	-49.3	-174.1	-172.1	0	0	0	0	112.3	Q385 L386 W680 S682	Q385-C389 VanDerWaalsContact O-CB 3.28Å; Q385-C389 WeakPolarHBondContact O-CB 3.46Å; Q385-C389 PolarHBondContact O-N 2.86Å; L386-C389 PolarHBondContact O-N 3Å; C389-W680 HydrophobicContact CB-CE3 3.73Å; C389-W680 HydrophobicContact CB-CZ3 4.08Å; C389-W680 PolarHBondContact SG-O 3.45Å; C389-S682 VanDerWaalsContact O-CB 3.22Å; C389-S682 WeakPolarHBondContact O-CB 3.47Å; C389-S682 PolarHBondContact O-OG 3.07Å
390	L	98.1	Very high	96.6	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-76.4	-40.7	-175.5	-60.3	-178.7	0	0	0	111.9	L386 F531 F534 F675 G685 Q686	L386-L390 HydrophobicContact CB-CD1 4.47Å; L386-L390 HydrophobicContact CD2-CD1 4.23Å; L386-L390 VanDerWaalsContact O-CB 3.3Å; L386-L390 WeakPolarHBondContact O-CB 3.16Å; L386-L390 WeakPolarHBondContact O-CG 3.39Å; L386-L390 PolarHBondContact O-N 3.2Å; L390-F531 HydrophobicContact CD1-CE2 4.49Å; L390-F534 HydrophobicContact CD1-CE1 3.83Å; L390-F534 HydrophobicContact CD1-CZ 3.91Å; L390-F675 HydrophobicContact CD2-CD1 4.42Å; L390-F675 HydrophobicContact CD2-CE1 3.96Å; L390-G685 CarbonylContact O-C 3.43Å; L390-Q686 PolarHBondContact O-N 3.05Å; L390-Q686 PolarHBondContact O-NE2 3.24Å
391	F	97.2	Very high	96.4	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.026	19%	0.191	C	C	.	.	H	α-helix	trans	-119.5	-6.9	-166.9	-51.1	-54.3	0	0	0	114.4	A387 L393 L502 L506 F531 G685 Q686 Y688 M689 L693	A387-F391 CarbonylContact O-C 3.07Å; A387-F391 WeakPolarHBondContact O-CB 3.08Å; A387-F391 PolarHBondContact O-N 3.5Å; F391-L393 VanDerWaalsContact C-N 3.35Å; F391-L393 HydrophobicContact CB-CD1 4.17Å; F391-L393 HydrophobicContact CB-CG 3.89Å; F391-L502 HydrophobicContact CE2-CD1 4.2Å; F391-L506 HydrophobicContact CB-CD1 4.03Å; F391-L506 HydrophobicContact CB-CD2 4.15Å; F391-L506 HydrophobicContact CD1-CD1 3.78Å; F391-L506 HydrophobicContact CD2-CD1 3.65Å; F391-L506 HydrophobicContact CE1-CD1 4.11Å; F391-L506 HydrophobicContact CE2-CD1 3.99Å; F391-L506 HydrophobicContact CG-CD1 3.53Å; F391-L506 HydrophobicContact CZ-CD1 4.21Å; F391-F531 HydrophobicContact CE2-CE2 4.26Å; F391-G685 WeakPolarHBondContact CE1-O 3.39Å; F391-Q686 VanDerWaalsContact C-NE2 3.33Å; F391-Q686 VanDerWaalsContact CA-NE2 3.31Å; F391-Q686 PolarHBondContact O-NE2 3.31Å; F391-Y688 HydrophobicContact CE1-CD1 4.05Å; F391-Y688 HydrophobicContact CZ-CD1 4.07Å; F391-Y688 HydrophobicContact CZ-CE1 4.37Å; F391-M689 HydrophobicContact CD1-CB 3.87Å; F391-M689 HydrophobicContact CD1-CG 4.46Å; F391-M689 HydrophobicContact CE1-CB 4.09Å; F391-L693 HydrophobicContact CE1-CD1 4.01Å; F391-L693 HydrophobicContact CZ-CD1 3.95Å
392	G	96	Very high	96.1	Very high	15 Å²	15	34.5 Å²	34.5	16%	0.155	19%	0.19	C	C	.	.			trans	68	35.7	-176.2	0	0	0	0	0	112.3	A387 N388 N418	A387-G392 PolarHBondContact O-N 3.42Å; N388-G392 WeakPolarHBondContact O-CA 3.42Å; N388-G392 PolarHBondContact O-N 3.5Å; G392-N418 VanDerWaalsContact O-CB 3.3Å; G392-N418 WeakPolarHBondContact O-CB 3.33Å; G392-N418 PolarHBondContact O-N 2.85Å
393	L	96.5	Very high	95.9	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	149.4	178.4	-59.1	-176.8	0	0	0	112.6	A387 N388 F391 V415 Y416 I426 L502 L506	A387-L393 HydrophobicContact CB-CB 4.13Å; A387-L393 WeakPolarHBondContact O-CB 3.44Å; A387-L393 PolarHBondContact O-N 3.3Å; N388-L393 WeakPolarHBondContact CA-O 3.23Å; N388-L393 VanDerWaalsContact CB-O 3.22Å; N388-L393 WeakPolarHBondContact CB-O 3.32Å; N388-L393 PolarHBondContact N-O 3.02Å; F391-L393 VanDerWaalsContact C-N 3.35Å; F391-L393 HydrophobicContact CB-CD1 4.17Å; F391-L393 HydrophobicContact CB-CG 3.89Å; L393-V415 HydrophobicContact CB-CG1 4.36Å; L393-V415 HydrophobicContact CD1-CG1 3.99Å; L393-V415 HydrophobicContact CD2-CG1 4.4Å; L393-V415 HydrophobicContact CG-CG1 4.49Å; L393-Y416 CarbonylContact C-O 3.57Å; L393-Y416 VanDerWaalsContact CA-O 3.25Å; L393-Y416 WeakPolarHBondContact CA-O 3.35Å; L393-I426 HydrophobicContact CD2-CD1 3.6Å; L393-L502 HydrophobicContact CD1-CD2 3.82Å; L393-L506 HydrophobicContact CD1-CD2 3.8Å; L393-L506 HydrophobicContact CD1-CG 4.22Å; L393-L506 HydrophobicContact CD2-CD2 4.13Å; L393-L506 HydrophobicContact CG-CD2 4.24Å
394	R	95.7	Very high	95.7	Very high	111 Å²	111	36 Å²	36	42%	0.419	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	130.9	169.6	-174.7	-176	80	-160	2.4	109.7	D396 V415 Y416	R394-D396 WeakPolarHBondContact CG-OD1 3.4Å; R394-D396 IonicContact CZ-OD2 2.68Å; R394-D396 IonicContact NE-OD1 3.24Å; R394-D396 PolarHBondContact NE-OD1 3.27Å; R394-D396 IonicContact NE-OD2 3.44Å; R394-D396 PolarHBondContact NE-OD2 3.16Å; R394-D396 IonicContact NH2-OD2 3.63Å; R394-D396 PolarHBondContact NH2-OD2 3.12Å; R394-V415 WeakPolarHBondContact O-CA 3.4Å; R394-Y416 PolarHBondContact N-O 3.06Å; R394-Y416 PolarHBondContact O-N 3.39Å
395	L	97.3	Very high	95.7	Very high	6 Å²	6	36.3 Å²	36.3	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	114.7	177.3	-54.9	-173.3	0	0	0	109.4	L28 V383 A387 V413 V415 W498	L28-L395 HydrophobicContact CD1-CB 3.67Å; L28-L395 WeakPolarHBondContact CD1-O 3.35Å; V383-L395 HydrophobicContact CG1-CD1 4.14Å; A387-L395 HydrophobicContact CB-CD1 4.47Å; L395-V413 HydrophobicContact CB-CG1 3.9Å; L395-V413 HydrophobicContact CD2-CG1 4.4Å; L395-V415 HydrophobicContact CD2-CB 4.18Å; L395-V415 HydrophobicContact CD2-CG1 3.83Å; L395-V415 HydrophobicContact CD2-CG2 3.72Å; L395-W498 HydrophobicContact CD1-CH2 3.9Å; L395-W498 HydrophobicContact CD1-CZ3 3.96Å; L395-W498 HydrophobicContact CD2-CH2 4.44Å; L395-W498 HydrophobicContact CD2-CZ3 4.3Å
396	D	96	Very high	95.5	Very high	47 Å²	47	34.6 Å²	34.6	25%	0.251	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.8	178.2	-62.1	-29.4	0	0	0	110.4	R394 V398 V413 H414 Y416	R394-D396 WeakPolarHBondContact CG-OD1 3.4Å; R394-D396 IonicContact CZ-OD2 2.68Å; R394-D396 IonicContact NE-OD1 3.24Å; R394-D396 PolarHBondContact NE-OD1 3.27Å; R394-D396 IonicContact NE-OD2 3.44Å; R394-D396 PolarHBondContact NE-OD2 3.16Å; R394-D396 IonicContact NH2-OD2 3.63Å; R394-D396 PolarHBondContact NH2-OD2 3.12Å; D396-V398 HydrophobicContact CB-CG2 4.48Å; D396-V398 PolarHBondContact O-N 3.13Å; D396-V413 CarbonylContact O-C 3.55Å; D396-V413 WeakPolarHBondContact O-CA 3.35Å; D396-H414 PolarHBondContact N-O 3.07Å; D396-H414 PolarHBondContact O-N 3.11Å; D396-Y416 HydrophobicContact CB-CD2 4.41Å; D396-Y416 HydrophobicContact CB-CE2 3.96Å; D396-Y416 VanDerWaalsContact OD2-CD2 3.31Å; D396-Y416 WeakPolarHBondContact OD2-CD2 3.3Å; D396-Y416 WeakPolarHBondContact OD2-CE2 3.31Å
397	V	96.3	Very high	95.4	Very high	49 Å²	49	36.8 Å²	36.8	30%	0.297	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	123.6	168.5	176.2	0	0	0	0	108.8	L28 A31 F32 I411 K412 V413	L28-V397 HydrophobicContact CB-CG2 4.4Å; L28-V397 HydrophobicContact CD1-CG2 4.16Å; L28-V397 HydrophobicContact CG-CG2 4.25Å; A31-V397 HydrophobicContact CB-CB 4.14Å; A31-V397 HydrophobicContact CB-CG1 3.83Å; A31-V397 HydrophobicContact CB-CG2 3.85Å; F32-V397 HydrophobicContact CE2-CG2 4.11Å; V397-I411 HydrophobicContact CG1-CG2 3.73Å; V397-I411 HydrophobicContact CG2-CG2 4.05Å; V397-K412 WeakPolarHBondContact CA-O 3.17Å; V397-V413 HydrophobicContact CG2-CG2 4.31Å
398	V	94	Very high	95.1	Very high	37 Å²	37	38.5 Å²	38.5	22%	0.224	22%	0.216	C	C	.	.			trans	-117.5	137.7	-177.1	179	0	0	0	0	109.5	D396 V400 K412 H414	D396-V398 HydrophobicContact CB-CG2 4.48Å; D396-V398 PolarHBondContact O-N 3.13Å; V398-V400 PolarHBondContact O-N 3.24Å; V398-K412 PolarHBondContact N-O 2.94Å; V398-H414 HydrophobicContact CG2-CB 3.88Å
399	P	92.6	Very high	94.9	Very high	100 Å²	100	35 Å²	35	65%	0.649	20%	0.198	S	C	*	.	P	Polyproline II helix	trans	-53.4	132.5	175.3	-26.3	34.7	0	0	0	112.2	K412	P399-K412 VanDerWaalsContact O-CE 3.28Å; P399-K412 WeakPolarHBondContact O-CE 3.16Å; P399-K412 PolarHBondContact O-NZ 3.45Å
400	V	93.2	Very high	94.8	Very high	40 Å²	40	33.2 Å²	33.2	24%	0.242	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-71.4	145.4	169	-62.3	0	0	0	0	109.3	V398 E404 V405 K412	V398-V400 PolarHBondContact O-N 3.24Å; V400-E404 WeakPolarHBondContact CA-OE2 3.22Å; V400-V405 HydrophobicContact CB-CG1 4.2Å; V400-V405 HydrophobicContact CB-CG2 4.26Å; V400-V405 HydrophobicContact CG1-CG1 3.63Å; V400-V405 HydrophobicContact CG1-CG2 4.29Å; V400-V405 HydrophobicContact CG2-CG2 4.16Å; V400-K412 HydrophobicContact CG1-CB 3.79Å
401	Q	92.9	Very high	94.8	Very high	101 Å²	101	33.5 Å²	33.5	47%	0.472	19%	0.188	S	C	.	.	P	Polyproline II helix	trans	-89.9	157.1	173.9	-60.2	-61.7	-45.4	0	0	110.5	T48 G403 E404	T48-Q401 HydrophobicContact CG2-CB 3.91Å; T48-Q401 WeakPolarHBondContact OG1-CB 3.49Å; Q401-G403 PolarHBondContact O-N 2.85Å; Q401-G403 VanDerWaalsContact O-N 3.13Å; Q401-E404 HydrophobicContact CB-CB 4.33Å; Q401-E404 PolarHBondContact N-OE2 3.22Å; Q401-E404 WeakPolarHBondContact O-CB 3.39Å; Q401-E404 PolarHBondContact O-N 3.26Å
402	P	90.9	Very high	94.8	Very high	26 Å²	26	33.8 Å²	33.8	17%	0.169	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	118.3	-179.9	-27.4	36.1	0	0	0	113.3	L44 T47 T48	L44-P402 HydrophobicContact CB-CB 4.22Å; L44-P402 HydrophobicContact CB-CG 4.37Å; L44-P402 HydrophobicContact CD1-CG 4.39Å; T47-P402 PolarHBondContact N-O 3.4Å; T48-P402 WeakPolarHBondContact CB-O 3.42Å; T48-P402 PolarHBondContact N-O 3.17Å
403	G	92.5	Very high	94.9	Very high	20 Å²	20	33 Å²	33	21%	0.206	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.2	3.3	-179.2	0	0	0	0	0	115.6	G49 L50 Q401	G49-G403 CarbonylContact C-O 3.3Å; L50-G403 PolarHBondContact N-O 2.98Å; Q401-G403 PolarHBondContact O-N 2.85Å; Q401-G403 VanDerWaalsContact O-N 3.13Å
404	E	95.8	Very high	95	Very high	10 Å²	10	34.3 Å²	34.3	5%	0.047	19%	0.187	C	C	.	.	S	Bend	trans	-70.7	-35.9	178.8	-174.2	178	176.2	0	0	113.2	T48 G49 L50 F51 V400 Q401 K412 Y430	T48-E404 HydrophobicContact CG2-CB 4.15Å; T48-E404 HydrophobicContact CG2-CG 4.49Å; G49-E404 WeakPolarHBondContact O-CA 3.41Å; L50-E404 CarbonylContact C-O 3.3Å; L50-E404 WeakPolarHBondContact CA-O 3.22Å; F51-E404 PolarHBondContact N-O 2.8Å; V400-E404 WeakPolarHBondContact CA-OE2 3.22Å; Q401-E404 HydrophobicContact CB-CB 4.33Å; Q401-E404 PolarHBondContact N-OE2 3.22Å; Q401-E404 WeakPolarHBondContact O-CB 3.39Å; Q401-E404 PolarHBondContact O-N 3.26Å; E404-K412 WeakPolarHBondContact OE1-CD 3.21Å; E404-K412 WeakPolarHBondContact OE1-CE 3.41Å; E404-K412 IonicContact OE1-NZ 3.68Å; E404-K412 PolarHBondContact OE1-NZ 2.97Å; E404-K412 IonicContact OE2-NZ 3.35Å; E404-K412 PolarHBondContact OE2-NZ 3.1Å; E404-Y430 HydrophobicContact CG-CE1 4.13Å; E404-Y430 PolarHBondContact OE1-OH 2.98Å
405	V	95.9	Very high	95.1	Very high	27 Å²	27	29 Å²	29	16%	0.164	17%	0.167	C	C	.	.	S	Bend	trans	-113.6	152.4	-176.6	-64.5	0	0	0	0	111.8	V400 V410 Y430	V400-V405 HydrophobicContact CB-CG1 4.2Å; V400-V405 HydrophobicContact CB-CG2 4.26Å; V400-V405 HydrophobicContact CG1-CG1 3.63Å; V400-V405 HydrophobicContact CG1-CG2 4.29Å; V400-V405 HydrophobicContact CG2-CG2 4.16Å; V405-V410 HydrophobicContact CB-CB 4.01Å; V405-V410 HydrophobicContact CB-CG1 4.21Å; V405-V410 HydrophobicContact CG1-CB 4.1Å; V405-V410 HydrophobicContact CG1-CG1 3.84Å; V405-Y430 HydrophobicContact CG1-CD1 3.83Å; V405-Y430 HydrophobicContact CG1-CE1 3.86Å
406	W	95.1	Very high	95	Very high	10 Å²	10	30.1 Å²	30.1	4%	0.038	17%	0.171	C	C	.	.	S	Bend	trans	-82.2	-19	-178.4	55.3	94.9	0	0	0	113.9	L50 F51 I110 L113 H114 P115 V410 D432 T469	L50-W406 HydrophobicContact CD2-CB 4.28Å; F51-W406 HydrophobicContact CD1-CZ3 4.08Å; F51-W406 HydrophobicContact CE1-CE3 4.2Å; F51-W406 AromaticContact CE1-CH2 3.83Å; F51-W406 HydrophobicContact CE1-CH2 3.83Å; F51-W406 AromaticContact CE1-CZ3 3.26Å; F51-W406 HydrophobicContact CE1-CZ3 3.26Å; F51-W406 HydrophobicContact CE2-CZ3 4.49Å; F51-W406 HydrophobicContact CZ-CE3 4.07Å; F51-W406 HydrophobicContact CZ-CH2 4.16Å; F51-W406 AromaticContact CZ-CZ3 3.51Å; F51-W406 HydrophobicContact CZ-CZ3 3.51Å; I110-W406 HydrophobicContact CD1-CB 4.21Å; I110-W406 HydrophobicContact CD1-CD2 4.27Å; I110-W406 HydrophobicContact CD1-CE3 3.95Å; I110-W406 HydrophobicContact CD1-CG 4.43Å; L113-W406 HydrophobicContact CD1-CZ2 3.81Å; H114-W406 HydrophobicContact CB-CB 4.2Å; H114-W406 WeakPolarHBondContact CD2-CB 3.44Å; P115-W406 WeakPolarHBondContact CD-O 3.49Å; P115-W406 WeakPolarHBondContact CG-O 3.45Å; W406-V410 HydrophobicContact CD2-CG2 4.18Å; W406-V410 HydrophobicContact CH2-CG1 4.09Å; W406-V410 HydrophobicContact CZ2-CG1 4.19Å; W406-V410 HydrophobicContact CZ2-CG2 3.89Å; W406-V410 HydrophobicContact CZ3-CG1 4.47Å; W406-D432 HydrophobicContact CZ2-CB 3.79Å; W406-D432 PolarHBondContact NE1-OD2 3.3Å; W406-T469 HydrophobicContact CH2-CG2 3.52Å; W406-T469 HydrophobicContact CZ2-CG2 3.65Å
407	H	94.4	Very high	94.9	Very high	45 Å²	45	29 Å²	29	21%	0.208	17%	0.167	C	C	.	.	S	Bend	trans	-147.4	143.4	-179.1	-173	-97	0	0	0	111.4	S409 V410	H407-S409 PolarHBondContact CE1-OG 3.14Å; H407-S409 WeakPolarHBondContact ND1-CB 3.45Å; H407-S409 PolarHBondContact ND1-N 3.25Å; H407-S409 VanDerWaalsContact ND1-N 3.18Å; H407-S409 PolarHBondContact ND1-OG 3.42Å; H407-S409 PolarHBondContact O-N 2.94Å; H407-S409 VanDerWaalsContact O-N 3.13Å; H407-V410 HydrophobicContact CB-CG2 4.09Å; H407-V410 WeakPolarHBondContact O-CB 3.5Å; H407-V410 WeakPolarHBondContact O-CG2 3.38Å; H407-V410 PolarHBondContact O-N 2.94Å
408	P	92.3	Very high	94.6	Very high	37 Å²	37	29.6 Å²	29.6	24%	0.24	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.1	-177.9	-26.5	36.1	0	0	0	115.7	H35 V410	H35-P408 PolarHBondContact CE1-O 2.91Å; H35-P408 PolarHBondContact ND1-O 3.15Å; P408-V410 VanDerWaalsContact C-N 3.28Å
409	S	93.3	Very high	93.9	Very high	8 Å²	8	33.5 Å²	33.5	6%	0.056	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-7.1	176	73.4	0	0	0	0	113.9	H407 I411	H407-S409 PolarHBondContact CE1-OG 3.14Å; H407-S409 WeakPolarHBondContact ND1-CB 3.45Å; H407-S409 PolarHBondContact ND1-N 3.25Å; H407-S409 VanDerWaalsContact ND1-N 3.18Å; H407-S409 PolarHBondContact ND1-OG 3.42Å; H407-S409 PolarHBondContact O-N 2.94Å; H407-S409 VanDerWaalsContact O-N 3.13Å; S409-I411 PolarHBondContact O-N 3.41Å
410	V	95.8	Very high	92.9	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-76.8	122.7	-178	-179.5	0	0	0	0	109	V405 W406 H407 P408 Y430 C431 D432	V405-V410 HydrophobicContact CB-CB 4.01Å; V405-V410 HydrophobicContact CB-CG1 4.21Å; V405-V410 HydrophobicContact CG1-CB 4.1Å; V405-V410 HydrophobicContact CG1-CG1 3.84Å; W406-V410 HydrophobicContact CD2-CG2 4.18Å; W406-V410 HydrophobicContact CH2-CG1 4.09Å; W406-V410 HydrophobicContact CZ2-CG1 4.19Å; W406-V410 HydrophobicContact CZ2-CG2 3.89Å; W406-V410 HydrophobicContact CZ3-CG1 4.47Å; H407-V410 HydrophobicContact CB-CG2 4.09Å; H407-V410 WeakPolarHBondContact O-CB 3.5Å; H407-V410 WeakPolarHBondContact O-CG2 3.38Å; H407-V410 PolarHBondContact O-N 2.94Å; P408-V410 VanDerWaalsContact C-N 3.28Å; V410-Y430 HydrophobicContact CG1-CD1 4.17Å; V410-C431 WeakPolarHBondContact CA-O 3.31Å; V410-D432 HydrophobicContact CG2-CB 4Å
411	I	96.7	Very high	91.9	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.036	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	127.8	179.3	-62.3	175.3	0	0	0	108.9	A31 F32 H35 V397 S409 V413 C431	A31-I411 WeakPolarHBondContact O-CD1 3.3Å; F32-I411 HydrophobicContact CB-CD1 4.44Å; F32-I411 HydrophobicContact CD1-CD1 3.55Å; F32-I411 HydrophobicContact CD2-CD1 4.37Å; F32-I411 HydrophobicContact CE1-CB 3.99Å; F32-I411 HydrophobicContact CE1-CD1 3.73Å; F32-I411 HydrophobicContact CE1-CG1 4.38Å; F32-I411 HydrophobicContact CE1-CG2 4.23Å; F32-I411 HydrophobicContact CE2-CG2 3.97Å; F32-I411 HydrophobicContact CG-CD1 3.88Å; F32-I411 HydrophobicContact CZ-CB 3.95Å; F32-I411 HydrophobicContact CZ-CD1 4.21Å; F32-I411 HydrophobicContact CZ-CG2 3.73Å; H35-I411 HydrophobicContact CB-CD1 3.98Å; H35-I411 HydrophobicContact CB-CG1 4.44Å; V397-I411 HydrophobicContact CG1-CG2 3.73Å; V397-I411 HydrophobicContact CG2-CG2 4.05Å; S409-I411 PolarHBondContact O-N 3.41Å; I411-V413 HydrophobicContact CG2-CG2 4.4Å; I411-C431 HydrophobicContact CB-CB 4.41Å; I411-C431 PolarHBondContact N-O 3.45Å; I411-C431 WeakPolarHBondContact O-CB 3.42Å; I411-C431 PolarHBondContact O-N 3.41Å
412	K	97.6	Very high	91.3	Very high	11 Å²	11	37.9 Å²	37.9	5%	0.048	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	125.7	174.9	178.6	173.7	63	-178.1	0	110.8	V397 V398 P399 V400 E404 I428 Y430	V397-K412 WeakPolarHBondContact CA-O 3.17Å; V398-K412 PolarHBondContact N-O 2.94Å; P399-K412 VanDerWaalsContact O-CE 3.28Å; P399-K412 WeakPolarHBondContact O-CE 3.16Å; P399-K412 PolarHBondContact O-NZ 3.45Å; V400-K412 HydrophobicContact CG1-CB 3.79Å; E404-K412 WeakPolarHBondContact OE1-CD 3.21Å; E404-K412 WeakPolarHBondContact OE1-CE 3.41Å; E404-K412 IonicContact OE1-NZ 3.68Å; E404-K412 PolarHBondContact OE1-NZ 2.97Å; E404-K412 IonicContact OE2-NZ 3.35Å; E404-K412 PolarHBondContact OE2-NZ 3.1Å; K412-I428 HydrophobicContact CD-CG2 4.23Å; K412-I428 HydrophobicContact CG-CG2 3.95Å; K412-Y430 HydrophobicContact CB-CD1 4.3Å; K412-Y430 HydrophobicContact CB-CE1 4.26Å; K412-Y430 HydrophobicContact CD-CE1 4Å; K412-Y430 HydrophobicContact CG-CD1 4.49Å; K412-Y430 HydrophobicContact CG-CE1 4.17Å
413	V	98.2	Very high	91	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123	175.6	-177.8	0	0	0	0	109.1	F32 L395 D396 V397 I411 V429 W498	F32-V413 HydrophobicContact CE2-CG2 4.04Å; F32-V413 HydrophobicContact CZ-CG2 3.91Å; L395-V413 HydrophobicContact CB-CG1 3.9Å; L395-V413 HydrophobicContact CD2-CG1 4.4Å; D396-V413 CarbonylContact O-C 3.55Å; D396-V413 WeakPolarHBondContact O-CA 3.35Å; V397-V413 HydrophobicContact CG2-CG2 4.31Å; I411-V413 HydrophobicContact CG2-CG2 4.4Å; V413-V429 HydrophobicContact CB-CB 4.34Å; V413-V429 PolarHBondContact N-O 3.1Å; V413-V429 PolarHBondContact O-N 2.86Å; V413-W498 HydrophobicContact CG1-CH2 4.39Å
414	H	97.9	Very high	90.8	Very high	29 Å²	29	47.3 Å²	47.3	13%	0.134	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	135.5	167	-79.9	-163.4	0	0	0	109.7	D396 V398 Y416 P425	D396-H414 PolarHBondContact N-O 3.07Å; D396-H414 PolarHBondContact O-N 3.11Å; V398-H414 HydrophobicContact CG2-CB 3.88Å; H414-Y416 HydrophobicContact CB-CD2 4.26Å; H414-Y416 HydrophobicContact CB-CE2 3.43Å; H414-Y416 VanDerWaalsContact CB-CE2 3.43Å; H414-Y416 AromaticContact ND1-CZ 3.97Å; H414-Y416 PolarHBondContact ND1-OH 3.01Å; H414-Y416 VanDerWaalsContact ND1-OH 3.13Å; H414-P425 HydrophobicContact CB-CB 4.02Å
415	V	97.9	Very high	90.7	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	125.1	176.9	-172.1	0	0	0	0	108.5	L393 R394 L395 P425 I426 G427 V429 M505	L393-V415 HydrophobicContact CB-CG1 4.36Å; L393-V415 HydrophobicContact CD1-CG1 3.99Å; L393-V415 HydrophobicContact CD2-CG1 4.4Å; L393-V415 HydrophobicContact CG-CG1 4.49Å; R394-V415 WeakPolarHBondContact O-CA 3.4Å; L395-V415 HydrophobicContact CD2-CB 4.18Å; L395-V415 HydrophobicContact CD2-CG1 3.83Å; L395-V415 HydrophobicContact CD2-CG2 3.72Å; V415-P425 CarbonylContact O-C 3.57Å; V415-P425 VanDerWaalsContact O-CA 3.25Å; V415-P425 WeakPolarHBondContact O-CA 3.47Å; V415-P425 WeakPolarHBondContact O-CB 3.48Å; V415-I426 HydrophobicContact CB-CG1 4.11Å; V415-I426 HydrophobicContact CG1-CD1 3.85Å; V415-I426 HydrophobicContact CG1-CG1 3.9Å; V415-I426 WeakPolarHBondContact O-CG1 3.32Å; V415-I426 PolarHBondContact O-N 2.76Å; V415-G427 PolarHBondContact N-O 3.32Å; V415-V429 HydrophobicContact CG2-CG2 4Å; V415-M505 HydrophobicContact CB-CG 4.37Å; V415-M505 HydrophobicContact CB-SD 4.24Å; V415-M505 HydrophobicContact CG1-CB 4.45Å; V415-M505 HydrophobicContact CG1-CG 4.33Å; V415-M505 HydrophobicContact CG2-CG 3.97Å; V415-M505 HydrophobicContact CG2-SD 3.9Å
416	Y	96.6	Very high	90.7	Very high	28 Å²	28	48.1 Å²	48.1	11%	0.11	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	150.5	178.9	-62.9	-89.3	0	0	0	110.7	L393 R394 D396 H414 T423 P425	L393-Y416 CarbonylContact C-O 3.57Å; L393-Y416 VanDerWaalsContact CA-O 3.25Å; L393-Y416 WeakPolarHBondContact CA-O 3.35Å; R394-Y416 PolarHBondContact N-O 3.06Å; R394-Y416 PolarHBondContact O-N 3.39Å; D396-Y416 HydrophobicContact CB-CD2 4.41Å; D396-Y416 HydrophobicContact CB-CE2 3.96Å; D396-Y416 VanDerWaalsContact OD2-CD2 3.31Å; D396-Y416 WeakPolarHBondContact OD2-CD2 3.3Å; D396-Y416 WeakPolarHBondContact OD2-CE2 3.31Å; H414-Y416 HydrophobicContact CB-CD2 4.26Å; H414-Y416 HydrophobicContact CB-CE2 3.43Å; H414-Y416 VanDerWaalsContact CB-CE2 3.43Å; H414-Y416 AromaticContact ND1-CZ 3.97Å; H414-Y416 PolarHBondContact ND1-OH 3.01Å; H414-Y416 VanDerWaalsContact ND1-OH 3.13Å; Y416-T423 WeakPolarHBondContact CE1-O 3.18Å; Y416-P425 HydrophobicContact CD1-CB 4.18Å; Y416-P425 HydrophobicContact CE1-CB 3.82Å; Y416-P425 HydrophobicContact CE1-CG 4.4Å; Y416-P425 HydrophobicContact CE2-CB 4.49Å
417	S	93.9	Very high	90.8	Very high	23 Å²	23	47.7 Å²	47.7	16%	0.161	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	125.3	168.2	-179.5	0	0	0	0	110.4	K419	S417-K419 PolarHBondContact O-N 3.42Å; S417-K419 PolarHBondContact OG-N 3.15Å
418	N	88.7	Confident	91	Very high	63 Å²	63	46.9 Å²	46.9	34%	0.337	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-15.9	176.5	-67.2	-27	0	0	0	112.6	N388 G392 N420	N388-N418 PolarHBondContact OD1-ND2 2.98Å; G392-N418 VanDerWaalsContact O-CB 3.3Å; G392-N418 WeakPolarHBondContact O-CB 3.33Å; G392-N418 PolarHBondContact O-N 2.85Å; N418-N420 VanDerWaalsContact C-N 3.34Å; N418-N420 PolarHBondContact O-N 3.46Å
419	K	80.3	Confident	91.3	Very high	118 Å²	118	45.1 Å²	45.1	51%	0.513	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-35	-177.5	-67.2	-172.6	178.7	-175.6	0	113.2	S417	S417-K419 PolarHBondContact O-N 3.42Å; S417-K419 PolarHBondContact OG-N 3.15Å
420	N	71.7	Confident	91.6	Very high	130 Å²	130	44.8 Å²	44.8	70%	0.695	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-0.9	-168.7	-67.1	-16.4	0	0	0	114.2	N418 S422	N418-N420 VanDerWaalsContact C-N 3.34Å; N418-N420 PolarHBondContact O-N 3.46Å; N420-S422 PolarHBondContact O-N 3.02Å
421	N	72.3	Confident	91.7	Very high	152 Å²	152	44.9 Å²	44.9	81%	0.813	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.2	28.8	-168.4	-70	-38.9	0	0	0	113
422	S	80	Confident	91.7	Very high	51 Å²	51	44.5 Å²	44.5	36%	0.357	24%	0.236	S	C	.	.			trans	-68.6	136.3	-176.7	176.8	0	0	0	0	110	N420 E424	N420-S422 PolarHBondContact O-N 3.02Å; S422-E424 VanDerWaalsContact C-N 3.26Å; S422-E424 PolarHBondContact OG-N 3.13Å; S422-E424 PolarHBondContact OG-O 3.42Å; S422-E424 VanDerWaalsContact OG-O 3.12Å
423	T	83.4	Confident	91.7	Very high	116 Å²	116	44.2 Å²	44.2	71%	0.712	24%	0.235	S	C	*	.	S	Bend	trans	-78.4	-14.7	169.8	54.3	0	0	0	0	112.6	Y416	Y416-T423 WeakPolarHBondContact CE1-O 3.18Å
424	E	89	Confident	91.5	Very high	129 Å²	129	45.3 Å²	45.3	60%	0.603	24%	0.241	S	C	*	.	S	Bend	trans	-90.1	133.8	177.8	-62.8	-55.1	131.6	0	0	111	S422	S422-E424 VanDerWaalsContact C-N 3.26Å; S422-E424 PolarHBondContact OG-N 3.13Å; S422-E424 PolarHBondContact OG-O 3.42Å; S422-E424 VanDerWaalsContact OG-O 3.12Å
425	P	94.7	Very high	91.4	Very high	26 Å²	26	47.1 Å²	47.1	17%	0.169	25%	0.252	C	S	.	.			trans	-68.9	146.8	174.2	31.2	-35	0	0	0	110.7	H414 V415 Y416 G427	H414-P425 HydrophobicContact CB-CB 4.02Å; V415-P425 CarbonylContact O-C 3.57Å; V415-P425 VanDerWaalsContact O-CA 3.25Å; V415-P425 WeakPolarHBondContact O-CA 3.47Å; V415-P425 WeakPolarHBondContact O-CB 3.48Å; Y416-P425 HydrophobicContact CD1-CB 4.18Å; Y416-P425 HydrophobicContact CE1-CB 3.82Å; Y416-P425 HydrophobicContact CE1-CG 4.4Å; Y416-P425 HydrophobicContact CE2-CB 4.49Å; P425-G427 VanDerWaalsContact C-N 3.28Å
426	I	95.5	Very high	91.1	Very high	27 Å²	27	48.5 Å²	48.5	14%	0.138	26%	0.257	C	S	.	.	S	Bend	trans	-81.4	-9.8	173.2	59.7	155.2	0	0	0	112.9	L393 V415 S465 P466	L393-I426 HydrophobicContact CD2-CD1 3.6Å; V415-I426 HydrophobicContact CB-CG1 4.11Å; V415-I426 HydrophobicContact CG1-CD1 3.85Å; V415-I426 HydrophobicContact CG1-CG1 3.9Å; V415-I426 WeakPolarHBondContact O-CG1 3.32Å; V415-I426 PolarHBondContact O-N 2.76Å; I426-S465 VanDerWaalsContact O-CB 3.31Å; I426-S465 WeakPolarHBondContact O-CB 3.45Å; I426-S465 PolarHBondContact O-OG 3.05Å; I426-P466 WeakPolarHBondContact O-CD 3.39Å
427	G	97.8	Very high	90.8	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.7	168.9	179.3	0	0	0	0	0	112.3	V415 P425 P466	V415-G427 PolarHBondContact N-O 3.32Å; P425-G427 VanDerWaalsContact C-N 3.28Å; G427-P466 WeakPolarHBondContact CA-O 3.34Å
428	I	98.4	Very high	90.5	Very high	29 Å²	29	55.5 Å²	55.5	15%	0.149	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.4	-175.8	-56	174.9	0	0	0	109.5	K412 Y430 P466 I467 I468	K412-I428 HydrophobicContact CD-CG2 4.23Å; K412-I428 HydrophobicContact CG-CG2 3.95Å; I428-Y430 HydrophobicContact CG2-CD2 4.15Å; I428-Y430 HydrophobicContact CG2-CE2 3.72Å; I428-P466 PolarHBondContact N-O 2.98Å; I428-I467 HydrophobicContact CB-CG1 4.36Å; I428-I467 HydrophobicContact CB-CG2 4.41Å; I428-I467 WeakPolarHBondContact O-CA 3.35Å; I428-I468 PolarHBondContact O-N 3.46Å
429	V	98.6	Very high	90.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	117.7	176.6	179.4	0	0	0	0	109	V413 V415 I468 L470 W498 M505	V413-V429 HydrophobicContact CB-CB 4.34Å; V413-V429 PolarHBondContact N-O 3.1Å; V413-V429 PolarHBondContact O-N 2.86Å; V415-V429 HydrophobicContact CG2-CG2 4Å; V429-I468 WeakPolarHBondContact CA-O 3.47Å; V429-I468 HydrophobicContact CB-CD1 4.12Å; V429-I468 HydrophobicContact CB-CG1 4.43Å; V429-I468 HydrophobicContact CG1-CD1 3.56Å; V429-I468 HydrophobicContact CG1-CG1 4.38Å; V429-I468 HydrophobicContact CG2-CD1 3.91Å; V429-I468 HydrophobicContact CG2-CG1 3.91Å; V429-L470 HydrophobicContact CG1-CD1 4.18Å; V429-L470 HydrophobicContact CG1-CG 4.06Å; V429-W498 HydrophobicContact CB-CH2 4.21Å; V429-W498 HydrophobicContact CG1-CH2 4.01Å; V429-W498 HydrophobicContact CG1-CZ2 4.18Å; V429-W498 HydrophobicContact CG2-CH2 4.14Å; V429-W498 HydrophobicContact CG2-CZ3 4.26Å; V429-M505 HydrophobicContact CG2-CE 4.15Å; V429-M505 HydrophobicContact CG2-CG 4.34Å; V429-M505 HydrophobicContact CG2-SD 4.11Å
430	Y	98.5	Very high	91.1	Very high	1 Å²	1	49 Å²	49	0%	0.004	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117	169.5	-67.2	-88.3	0	0	0	109.4	F51 E404 V405 V410 K412 I428 I467 I468 T469 L470	F51-Y430 VanDerWaalsContact C-OH 3.32Å; F51-Y430 WeakPolarHBondContact CA-OH 3.43Å; F51-Y430 HydrophobicContact CB-CE2 4.36Å; F51-Y430 AromaticContact CD1-CD2 3.73Å; F51-Y430 HydrophobicContact CD1-CD2 3.73Å; F51-Y430 AromaticContact CD1-CE2 3.64Å; F51-Y430 HydrophobicContact CD1-CE2 3.64Å; F51-Y430 HydrophobicContact CD1-CG 4.33Å; F51-Y430 HydrophobicContact CE1-CD2 4.17Å; F51-Y430 PolarHBondContact O-OH 3.22Å; E404-Y430 HydrophobicContact CG-CE1 4.13Å; E404-Y430 PolarHBondContact OE1-OH 2.98Å; V405-Y430 HydrophobicContact CG1-CD1 3.83Å; V405-Y430 HydrophobicContact CG1-CE1 3.86Å; V410-Y430 HydrophobicContact CG1-CD1 4.17Å; K412-Y430 HydrophobicContact CB-CD1 4.3Å; K412-Y430 HydrophobicContact CB-CE1 4.26Å; K412-Y430 HydrophobicContact CD-CE1 4Å; K412-Y430 HydrophobicContact CG-CD1 4.49Å; K412-Y430 HydrophobicContact CG-CE1 4.17Å; I428-Y430 HydrophobicContact CG2-CD2 4.15Å; I428-Y430 HydrophobicContact CG2-CE2 3.72Å; Y430-I467 HydrophobicContact CD2-CG2 3.91Å; Y430-I467 HydrophobicContact CE2-CG2 3.55Å; Y430-I468 PolarHBondContact N-O 3.23Å; Y430-T469 CarbonylContact O-C 3.15Å; Y430-T469 VanDerWaalsContact O-CA 3.26Å; Y430-T469 WeakPolarHBondContact O-CA 3.3Å; Y430-L470 PolarHBondContact O-N 3.41Å
431	C	98.3	Very high	91.7	Very high	1 Å²	1	47.3 Å²	47.3	1%	0.007	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	102.3	-176.3	-60.6	0	0	0	0	110.1	F32 V410 I411 L433	F32-C431 HydrophobicContact CE1-CB 3.63Å; F32-C431 HydrophobicContact CZ-CB 3.79Å; V410-C431 WeakPolarHBondContact CA-O 3.31Å; I411-C431 HydrophobicContact CB-CB 4.41Å; I411-C431 PolarHBondContact N-O 3.45Å; I411-C431 WeakPolarHBondContact O-CB 3.42Å; I411-C431 PolarHBondContact O-N 3.41Å; C431-L433 HydrophobicContact CB-CD1 4.07Å; C431-L433 HydrophobicContact CB-CD2 4Å; C431-L433 HydrophobicContact CB-CG 3.84Å
432	D	97.1	Very high	92.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	78.5	171.2	-173.2	-7.5	0	0	0	109.6	W406 V410 R436 K439 L470 Q471 L472	W406-D432 HydrophobicContact CZ2-CB 3.79Å; W406-D432 PolarHBondContact NE1-OD2 3.3Å; V410-D432 HydrophobicContact CG2-CB 4Å; D432-R436 VanDerWaalsContact CG-NH1 3.31Å; D432-R436 IonicContact OD1-CZ 2.74Å; D432-R436 IonicContact OD1-NH1 2.86Å; D432-R436 PolarHBondContact OD1-NH1 2.88Å; D432-R436 IonicContact OD1-NH2 3.2Å; D432-R436 IonicContact OD2-CZ 3.13Å; D432-R436 IonicContact OD2-NH1 3.93Å; D432-R436 PolarHBondContact OD2-NH1 3.13Å; D432-R436 VanDerWaalsContact OD2-NH1 3.11Å; D432-R436 IonicContact OD2-NH2 2.79Å; D432-R436 PolarHBondContact OD2-NH2 2.88Å; D432-K439 PolarHBondContact O-NZ 3.05Å; D432-K439 IonicContact OD1-NZ 2.77Å; D432-K439 PolarHBondContact OD1-NZ 2.88Å; D432-K439 IonicContact OD2-NZ 3.27Å; D432-L470 PolarHBondContact N-O 3.45Å; D432-Q471 VanDerWaalsContact O-CA 3.31Å; D432-Q471 WeakPolarHBondContact O-CA 3.46Å; D432-L472 PolarHBondContact O-N 3.06Å
433	L	97	Very high	92.9	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-17.3	-165.5	-48.7	-172.4	0	0	0	114.3	F32 L376 M380 C431 L470 L472 V474 L494	F32-L433 HydrophobicContact CD1-CD1 3.88Å; F32-L433 HydrophobicContact CE1-CD1 3.55Å; F32-L433 HydrophobicContact CE1-CG 4.36Å; L376-L433 HydrophobicContact CD1-CD1 3.91Å; L376-L433 HydrophobicContact CD2-CB 4.32Å; L376-L433 HydrophobicContact CD2-CD1 4.31Å; M380-L433 HydrophobicContact SD-CD1 4.28Å; C431-L433 HydrophobicContact CB-CD1 4.07Å; C431-L433 HydrophobicContact CB-CD2 4Å; C431-L433 HydrophobicContact CB-CG 3.84Å; L433-L470 HydrophobicContact CD2-CB 4.19Å; L433-L472 CarbonylContact C-O 3.08Å; L433-L472 VanDerWaalsContact C-O 3.3Å; L433-L472 HydrophobicContact CB-CB 4.37Å; L433-L472 HydrophobicContact CD2-CB 4.31Å; L433-L472 HydrophobicContact CD2-CD1 3.67Å; L433-L472 CarbonylContact O-C 3.59Å; L433-L472 VanDerWaalsContact O-C 3.3Å; L433-V474 VanDerWaalsContact O-CB 3.3Å; L433-V474 WeakPolarHBondContact O-CB 3.35Å; L433-V474 PolarHBondContact O-N 2.84Å; L433-L494 HydrophobicContact CD1-CD1 4.13Å
434	L	94.8	Very high	93.3	Very high	24 Å²	24	39.3 Å²	39.3	13%	0.126	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	139.8	-175.7	-58	-174.7	0	0	0	111.4	L376 K439 V474 P484	L376-L434 HydrophobicContact CD2-CD2 4.12Å; L434-K439 PolarHBondContact O-NZ 2.87Å; L434-V474 CarbonylContact C-O 3.56Å; L434-V474 WeakPolarHBondContact CA-O 3.31Å; L434-V474 HydrophobicContact CD2-CB 4.38Å; L434-P484 HydrophobicContact CD2-CB 4.23Å; L434-P484 HydrophobicContact CD2-CG 3.83Å
435	D	94.2	Very high	93.6	Very high	67 Å²	67	34.7 Å²	34.7	36%	0.358	22%	0.218	S	C	.	.			trans	-68	147.2	170.5	-175.1	37.9	0	0	0	111.4	V474	D435-V474 PolarHBondContact N-O 3.34Å
436	R	92.9	Very high	93.7	Very high	28 Å²	28	34.6 Å²	34.6	11%	0.106	22%	0.215	C	C	.	.			trans	-160.6	156	175.9	63.9	179.2	176.5	-81.7	-1.1	110.9	L113 D432 G438 K439	L113-R436 PolarHBondContact O-NH2 2.81Å; D432-R436 VanDerWaalsContact CG-NH1 3.31Å; D432-R436 IonicContact OD1-CZ 2.74Å; D432-R436 IonicContact OD1-NH1 2.86Å; D432-R436 PolarHBondContact OD1-NH1 2.88Å; D432-R436 IonicContact OD1-NH2 3.2Å; D432-R436 IonicContact OD2-CZ 3.13Å; D432-R436 IonicContact OD2-NH1 3.93Å; D432-R436 PolarHBondContact OD2-NH1 3.13Å; D432-R436 VanDerWaalsContact OD2-NH1 3.11Å; D432-R436 IonicContact OD2-NH2 2.79Å; D432-R436 PolarHBondContact OD2-NH2 2.88Å; R436-G438 PolarHBondContact O-N 2.73Å; R436-K439 HydrophobicContact CG-CB 3.82Å; R436-K439 HydrophobicContact CG-CD 4.29Å; R436-K439 VanDerWaalsContact O-CB 3.32Å; R436-K439 WeakPolarHBondContact O-CB 3.19Å; R436-K439 PolarHBondContact O-N 3.27Å; R436-K439 VanDerWaalsContact O-N 3.12Å
437	P	90.2	Very high	93.7	Very high	135 Å²	135	34.1 Å²	34.1	88%	0.877	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	133.2	176.6	-26.5	35	0	0	0	112.9	K439	P437-K439 VanDerWaalsContact C-N 3.26Å; P437-K439 PolarHBondContact O-N 3.06Å
438	G	88	Confident	93.7	Very high	64 Å²	64	34.4 Å²	34.4	66%	0.66	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	82	-7.6	178.6	0	0	0	0	0	115.3	R436	R436-G438 PolarHBondContact O-N 2.73Å
439	K	92.3	Very high	93.6	Very high	17 Å²	17	36.2 Å²	36.2	7%	0.074	22%	0.219	C	C	.	.	S	Bend	trans	-77.9	139.1	170.9	-169.9	-176.2	-175.5	179.6	0	110	L113 D432 L434 R436 P437 L472	L113-K439 HydrophobicContact CD2-CD 4.4Å; L113-K439 HydrophobicContact CD2-CG 3.92Å; D432-K439 PolarHBondContact O-NZ 3.05Å; D432-K439 IonicContact OD1-NZ 2.77Å; D432-K439 PolarHBondContact OD1-NZ 2.88Å; D432-K439 IonicContact OD2-NZ 3.27Å; L434-K439 PolarHBondContact O-NZ 2.87Å; R436-K439 HydrophobicContact CG-CB 3.82Å; R436-K439 HydrophobicContact CG-CD 4.29Å; R436-K439 VanDerWaalsContact O-CB 3.32Å; R436-K439 WeakPolarHBondContact O-CB 3.19Å; R436-K439 PolarHBondContact O-N 3.27Å; R436-K439 VanDerWaalsContact O-N 3.12Å; P437-K439 VanDerWaalsContact C-N 3.26Å; P437-K439 PolarHBondContact O-N 3.06Å; K439-L472 WeakPolarHBondContact CE-O 3.25Å; K439-L472 PolarHBondContact NZ-O 3.42Å
440	P	87.4	Confident	93.6	Very high	27 Å²	27	36.2 Å²	36.2	18%	0.175	22%	0.22	C	C	.	.			trans	-62.3	136.9	175.7	-22.6	33.9	0	0	0	112.3	M112 Q442 Q471 T473	M112-P440 HydrophobicContact CB-CG 4.43Å; M112-P440 HydrophobicContact CE-CB 4.3Å; M112-P440 HydrophobicContact CE-CG 3.51Å; M112-P440 WeakPolarHBondContact O-CD 3.39Å; P440-Q442 HydrophobicContact CB-CG 4.12Å; P440-Q442 PolarHBondContact O-N 3.24Å; P440-Q471 PolarHBondContact O-NE2 3.26Å; P440-T473 WeakPolarHBondContact O-CG2 3.21Å
441	A	85.1	Confident	93.5	Very high	95 Å²	95	36.2 Å²	36.2	79%	0.785	22%	0.219	S	C	*	.	S	Bend	trans	-79.6	57.3	175.1	0	0	0	0	0	111.8
442	Q	85.3	Confident	93.4	Very high	90 Å²	90	37 Å²	37	42%	0.421	22%	0.222	S	C	.	.			trans	-139.2	146.6	175.5	74	-172.1	16.4	0	0	109.3	P440 Q471	P440-Q442 HydrophobicContact CB-CG 4.12Å; P440-Q442 PolarHBondContact O-N 3.24Å; Q442-Q471 WeakPolarHBondContact O-CG 3.38Å; Q442-Q471 PolarHBondContact O-NE2 2.85Å
443	D	91.9	Very high	93.2	Very high	39 Å²	39	38.8 Å²	38.8	21%	0.209	23%	0.234	C	C	.	.			trans	-92.3	132.7	168.6	-58.5	-22.1	0	0	0	107.2	Q471 L472 T473 N493 E497	D443-Q471 CarbonylContact C-O 3.56Å; D443-Q471 VanDerWaalsContact CA-O 3.27Å; D443-Q471 WeakPolarHBondContact CA-O 3.49Å; D443-L472 HydrophobicContact CB-CG 4.09Å; D443-L472 VanDerWaalsContact OD1-CA 3.23Å; D443-L472 WeakPolarHBondContact OD1-CA 3.46Å; D443-T473 PolarHBondContact OD1-N 3.45Å; D443-T473 PolarHBondContact OD1-OG1 3.39Å; D443-N493 WeakPolarHBondContact OD2-CB 3.48Å; D443-N493 PolarHBondContact OD2-ND2 3.38Å; D443-E497 HydrophobicContact CB-CG 4.32Å
444	C	92.8	Very high	92.9	Very high	22 Å²	22	41.5 Å²	41.5	15%	0.149	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	159.3	-178.4	60.5	0	0	0	0	114.7	Y446 Q471 E497	C444-Y446 WeakPolarHBondContact SG-CE2 3.36Å; C444-Q471 PolarHBondContact N-O 3.25Å; C444-Q471 PolarHBondContact O-N 3Å; C444-Q471 VanDerWaalsContact SG-CD 3.59Å; C444-Q471 PolarHBondContact SG-OE1 3.22Å; C444-Q471 VanDerWaalsContact SG-OE1 3.36Å; C444-E497 WeakPolarHBondContact CA-OE2 3.42Å
445	H	94.7	Very high	91.9	Very high	31 Å²	31	45 Å²	45	14%	0.144	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.6	175	162.9	-79.4	0	0	0	111.4	T447 T469 L470 E497 H500 S504 T517	H445-T447 PolarHBondContact CE1-OG1 3.4Å; H445-T447 VanDerWaalsContact CE1-OG1 3.24Å; H445-T469 WeakPolarHBondContact CA-O 3.49Å; H445-L470 HydrophobicContact CB-CD2 3.94Å; H445-E497 PolarHBondContact N-OE2 3.49Å; H445-H500 HydrophobicContact CB-CB 4.03Å; H445-S504 PolarHBondContact CE1-OG 2.95Å; H445-S504 PolarHBondContact NE2-OG 3.07Å; H445-S504 VanDerWaalsContact NE2-OG 3.08Å; H445-T517 PolarHBondContact CE1-OG1 2.86Å
446	Y	96.1	Very high	90	Very high	25 Å²	25	46.6 Å²	46.6	10%	0.098	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	128.5	172.1	-64.1	-87.1	0	0	0	111.5	C109 L113 C444 I448 I468 T469 Q471	C109-Y446 HydrophobicContact CB-CD1 3.99Å; C109-Y446 HydrophobicContact CB-CD2 4.42Å; C109-Y446 HydrophobicContact CB-CE1 4.47Å; C109-Y446 HydrophobicContact CB-CG 3.97Å; L113-Y446 HydrophobicContact CD1-CE2 4.2Å; C444-Y446 WeakPolarHBondContact SG-CE2 3.36Å; Y446-I448 PolarHBondContact O-N 3.33Å; Y446-I468 CarbonylContact O-C 3.44Å; Y446-I468 WeakPolarHBondContact O-CA 3.38Å; Y446-I468 VanDerWaalsContact O-CB 3.32Å; Y446-I468 WeakPolarHBondContact O-CB 3.48Å; Y446-T469 PolarHBondContact N-O 3.29Å; Y446-T469 PolarHBondContact O-N 3.31Å; Y446-Q471 HydrophobicContact CE2-CB 4.44Å
447	T	96.3	Very high	88.2	Confident	17 Å²	17	49.4 Å²	49.4	10%	0.104	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	105.5	169.8	-58	0	0	0	0	109.8	D105 H445	D105-T447 WeakPolarHBondContact CB-O 3.21Å; D105-T447 VanDerWaalsContact CG-O 3.3Å; D105-T447 VanDerWaalsContact OD2-O 3.07Å; H445-T447 PolarHBondContact CE1-OG1 3.4Å; H445-T447 VanDerWaalsContact CE1-OG1 3.24Å
448	I	97.5	Very high	86.5	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-35	179.8	-52.5	-55.9	0	0	0	111.4	F51 L106 C109 Y446 I467	F51-I448 HydrophobicContact CB-CG2 4.21Å; F51-I448 HydrophobicContact CD1-CD1 4.48Å; F51-I448 HydrophobicContact CD1-CG1 4.01Å; F51-I448 HydrophobicContact CD1-CG2 3.88Å; F51-I448 HydrophobicContact CD2-CG2 3.99Å; F51-I448 HydrophobicContact CE1-CD1 3.73Å; F51-I448 HydrophobicContact CE1-CG1 3.65Å; F51-I448 HydrophobicContact CE1-CG2 4.19Å; F51-I448 HydrophobicContact CE2-CD1 4.27Å; F51-I448 HydrophobicContact CE2-CG2 4.29Å; F51-I448 HydrophobicContact CG-CG2 3.77Å; F51-I448 HydrophobicContact CZ-CD1 3.61Å; F51-I448 HydrophobicContact CZ-CG1 4.05Å; F51-I448 HydrophobicContact CZ-CG2 4.4Å; L106-I448 HydrophobicContact CB-CD1 4.49Å; L106-I448 HydrophobicContact CB-CG2 3.82Å; C109-I448 HydrophobicContact CB-CD1 3.77Å; Y446-I448 PolarHBondContact O-N 3.33Å; I448-I467 WeakPolarHBondContact CA-O 3.24Å; I448-I467 HydrophobicContact CB-CB 4.12Å; I448-I467 HydrophobicContact CB-CG2 3.88Å; I448-I467 VanDerWaalsContact CB-O 3.31Å; I448-I467 WeakPolarHBondContact CB-O 3.45Å; I448-I467 HydrophobicContact CG1-CG2 4.3Å; I448-I467 HydrophobicContact CG2-CG2 4.15Å; I448-I467 PolarHBondContact N-O 3.39Å
449	R	97.4	Very high	85.2	Confident	67 Å²	67	49.3 Å²	49.3	25%	0.253	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	129.9	172.9	-177.5	177.8	72	-166.4	-1.4	107.3	R102 Q464 S465 P466 I467	R102-R449 HydrophobicContact CG-CG 4.37Å; R449-Q464 HydrophobicContact CG-CG 4.15Å; R449-S465 VanDerWaalsContact CZ-O 3.22Å; R449-S465 PolarHBondContact NE-O 3.43Å; R449-S465 PolarHBondContact NH2-O 3.45Å; R449-P466 CarbonylContact O-C 3.55Å; R449-P466 WeakPolarHBondContact O-CA 3.39Å; R449-I467 HydrophobicContact CB-CB 4.14Å; R449-I467 HydrophobicContact CB-CD1 4.49Å; R449-I467 HydrophobicContact CB-CG1 4.31Å; R449-I467 PolarHBondContact N-O 3.03Å; R449-I467 PolarHBondContact O-N 3.08Å
450	G	96.7	Very high	83.7	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.01	34%	0.338	C	S	.	.			trans	-90.3	168	176	0	0	0	0	0	113.3	Q464	G450-Q464 PolarHBondContact O-NE2 2.9Å
451	G	96.7	Very high	82.8	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	37%	0.366	C	S	.	.			trans	-81.8	138.9	-179.9	0	0	0	0	0	112.5	Y463 Q464 T509 T515	G451-Y463 WeakPolarHBondContact CA-OH 3.29Å; G451-Q464 VanDerWaalsContact CA-O 3.26Å; G451-Q464 WeakPolarHBondContact CA-O 3.38Å; G451-T509 PolarHBondContact O-OG1 3.15Å; G451-T515 VanDerWaalsContact N-CG2 3.28Å; G451-T515 PolarHBondContact N-OG1 2.99Å; G451-T515 VanDerWaalsContact O-CB 3.22Å; G451-T515 WeakPolarHBondContact O-CB 3.28Å; G451-T515 PolarHBondContact O-OG1 2.96Å; G451-T515 VanDerWaalsContact O-OG1 3.1Å
452	R	96.5	Very high	83	Confident	19 Å²	19	62.8 Å²	62.8	7%	0.072	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	154.7	173.3	63.9	-176.8	-53.5	-148.8	-4.2	113	D94 D95 L454 Y463 Q464 Q512	D94-R452 IonicContact OD2-CZ 2.94Å; D94-R452 IonicContact OD2-NE 2.67Å; D94-R452 PolarHBondContact OD2-NE 2.62Å; D94-R452 IonicContact OD2-NH2 3.13Å; D94-R452 PolarHBondContact OD2-NH2 2.97Å; D95-R452 IonicContact OD1-CZ 3.16Å; D95-R452 IonicContact OD1-NH1 3.63Å; D95-R452 PolarHBondContact OD1-NH1 2.87Å; D95-R452 IonicContact OD1-NH2 2.7Å; D95-R452 PolarHBondContact OD1-NH2 3.12Å; R452-L454 HydrophobicContact CG-CD2 4.36Å; R452-Y463 PolarHBondContact N-OH 2.71Å; R452-Y463 VanDerWaalsContact O-CD2 3.26Å; R452-Y463 WeakPolarHBondContact O-CD2 3.44Å; R452-Y463 WeakPolarHBondContact O-CE2 3.3Å; R452-Q464 HydrophobicContact CG-CB 3.71Å; R452-Q464 HydrophobicContact CG-CG 4.3Å; R452-Q464 PolarHBondContact N-O 3.33Å; R452-Q464 PolarHBondContact O-N 2.71Å; R452-Q512 HydrophobicContact CB-CB 3.86Å; R452-Q512 HydrophobicContact CG-CB 4.15Å
453	C	93.9	Very high	83.3	Confident	36 Å²	36	61.2 Å²	61.2	24%	0.243	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	134.5	170.2	-73.6	0	0	0	0	110.3	T509 R510	C453-T509 PolarHBondContact N-O 2.91Å; C453-R510 PolarHBondContact N-O 3.02Å; C453-R510 VanDerWaalsContact N-O 3.15Å
454	L	90.2	Very high	83.5	Confident	61 Å²	61	60.3 Å²	60.3	32%	0.319	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	103.5	173.4	-60.7	175.6	0	0	0	108.8	R452 N456 S462 Q464	R452-L454 HydrophobicContact CG-CD2 4.36Å; L454-N456 PolarHBondContact O-N 3.31Å; L454-S462 WeakPolarHBondContact CB-O 3.03Å; L454-S462 WeakPolarHBondContact CB-OG 3.36Å; L454-S462 PolarHBondContact N-O 3.03Å; L454-Q464 HydrophobicContact CD1-CB 4.26Å; L454-Q464 HydrophobicContact CD2-CB 4.28Å; L454-Q464 HydrophobicContact CG-CB 4.22Å
455	D	72.9	Confident	83.6	Confident	99 Å²	99	60.6 Å²	60.6	53%	0.529	33%	0.331	S	S	.	.			trans	-85.6	85.3	174.3	-78.5	-21.2	0	0	0	109.9
456	N	55.2	Low	83.8	Confident	100 Å²	100	59.2 Å²	59.2	54%	0.535	33%	0.325	S	S	.	.			trans	-94.7	15.6	180	62.7	3.3	0	0	0	114.1	L454 S458	L454-N456 PolarHBondContact O-N 3.31Å; N456-S458 PolarHBondContact O-N 3.44Å; N456-S458 VanDerWaalsContact O-N 3.12Å; N456-S458 VanDerWaalsContact OD1-CB 3.26Å; N456-S458 WeakPolarHBondContact OD1-CB 3.26Å; N456-S458 PolarHBondContact OD1-N 3.38Å; N456-S458 PolarHBondContact OD1-OG 3.41Å
457	G	55.1	Low	83.9	Confident	86 Å²	86	58.7 Å²	58.7	89%	0.887	32%	0.324	S	S	*	.	S	Bend	trans	68.7	3.3	-176.5	0	0	0	0	0	114.9
458	S	55.3	Low	84	Confident	59 Å²	59	57.9 Å²	57.9	41%	0.413	32%	0.319	S	S	.	.	S	Bend	trans	-83.1	154	172.9	79	0	0	0	0	111.4	N456 K460	N456-S458 PolarHBondContact O-N 3.44Å; N456-S458 VanDerWaalsContact O-N 3.12Å; N456-S458 VanDerWaalsContact OD1-CB 3.26Å; N456-S458 WeakPolarHBondContact OD1-CB 3.26Å; N456-S458 PolarHBondContact OD1-N 3.38Å; N456-S458 PolarHBondContact OD1-OG 3.41Å; S458-K460 PolarHBondContact O-N 2.84Å; S458-K460 VanDerWaalsContact O-N 3.16Å; S458-K460 PolarHBondContact OG-O 3.1Å; S458-K460 VanDerWaalsContact OG-O 3.08Å
459	S	59.5	Low	84.1	Confident	138 Å²	138	57.6 Å²	57.6	97%	0.965	32%	0.317	S	S	*	.	S	Bend	trans	-64.5	-15	177.1	51.7	0	0	0	0	113.7
460	K	61.9	Low	84.1	Confident	175 Å²	175	54.4 Å²	54.4	76%	0.761	31%	0.305	S	S	*	.	S	Bend	trans	-110.1	99	178.5	-165.2	178.2	-176.3	-176.9	0	109.3	S458 S462	S458-K460 PolarHBondContact O-N 2.84Å; S458-K460 VanDerWaalsContact O-N 3.16Å; S458-K460 PolarHBondContact OG-O 3.1Å; S458-K460 VanDerWaalsContact OG-O 3.08Å; K460-S462 PolarHBondContact O-N 3.14Å; K460-S462 VanDerWaalsContact O-N 3.11Å
461	R	68.4	Low	84.1	Confident	202 Å²	202	54.4 Å²	54.4	76%	0.762	31%	0.305	S	S	*	.			trans	-50	119.9	170.1	-78.3	-176.4	174	166.1	0.8	109.4
462	S	87.7	Confident	84.1	Confident	45 Å²	45	54.4 Å²	54.4	32%	0.315	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	155.3	171.6	59	0	0	0	0	109.7	L454 K460	L454-S462 WeakPolarHBondContact CB-O 3.03Å; L454-S462 WeakPolarHBondContact CB-OG 3.36Å; L454-S462 PolarHBondContact N-O 3.03Å; K460-S462 PolarHBondContact O-N 3.14Å; K460-S462 VanDerWaalsContact O-N 3.11Å
463	Y	92.8	Very high	84	Confident	58 Å²	58	55.2 Å²	55.2	23%	0.227	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	129.8	-177.1	-165.6	-97	0	0	0	109.6	G451 R452 S465 A507 R508 T509	G451-Y463 WeakPolarHBondContact CA-OH 3.29Å; R452-Y463 PolarHBondContact N-OH 2.71Å; R452-Y463 VanDerWaalsContact O-CD2 3.26Å; R452-Y463 WeakPolarHBondContact O-CD2 3.44Å; R452-Y463 WeakPolarHBondContact O-CE2 3.3Å; Y463-S465 PolarHBondContact O-N 3.06Å; Y463-A507 PolarHBondContact OH-O 3.08Å; Y463-R508 WeakPolarHBondContact OH-CA 3.48Å; Y463-T509 WeakPolarHBondContact CE2-O 3.36Å; Y463-T509 PolarHBondContact OH-N 3.48Å; Y463-T509 PolarHBondContact OH-O 3.21Å
464	Q	95.6	Very high	84	Confident	19 Å²	19	53.5 Å²	53.5	9%	0.089	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	116.9	168.9	173.6	169.4	-72.2	0	0	108.2	D98 R449 G450 G451 R452 L454	D98-Q464 PolarHBondContact OD1-NE2 3.39Å; R449-Q464 HydrophobicContact CG-CG 4.15Å; G450-Q464 PolarHBondContact O-NE2 2.9Å; G451-Q464 VanDerWaalsContact CA-O 3.26Å; G451-Q464 WeakPolarHBondContact CA-O 3.38Å; R452-Q464 HydrophobicContact CG-CB 3.71Å; R452-Q464 HydrophobicContact CG-CG 4.3Å; R452-Q464 PolarHBondContact N-O 3.33Å; R452-Q464 PolarHBondContact O-N 2.71Å; L454-Q464 HydrophobicContact CD1-CB 4.26Å; L454-Q464 HydrophobicContact CD2-CB 4.28Å; L454-Q464 HydrophobicContact CG-CB 4.22Å
465	S	96.2	Very high	84.1	Confident	29 Å²	29	54.1 Å²	54.1	20%	0.203	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-80.6	138.6	-179.4	-63.6	0	0	0	0	111.5	I426 R449 Y463	I426-S465 VanDerWaalsContact O-CB 3.31Å; I426-S465 WeakPolarHBondContact O-CB 3.45Å; I426-S465 PolarHBondContact O-OG 3.05Å; R449-S465 VanDerWaalsContact CZ-O 3.22Å; R449-S465 PolarHBondContact NE-O 3.43Å; R449-S465 PolarHBondContact NH2-O 3.45Å; Y463-S465 PolarHBondContact O-N 3.06Å
466	P	97.9	Very high	84.8	Confident	2 Å²	2	52.6 Å²	52.6	1%	0.013	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-63.7	148.9	176.3	27.5	-37.9	0	0	0	112.4	I426 G427 I428 R449 S504 M505	I426-P466 WeakPolarHBondContact O-CD 3.39Å; G427-P466 WeakPolarHBondContact CA-O 3.34Å; I428-P466 PolarHBondContact N-O 2.98Å; R449-P466 CarbonylContact O-C 3.55Å; R449-P466 WeakPolarHBondContact O-CA 3.39Å; P466-S504 WeakPolarHBondContact CG-O 3.46Å; P466-M505 HydrophobicContact CB-CE 3.85Å; P466-M505 HydrophobicContact CG-CE 3.68Å; P466-M505 HydrophobicContact CG-SD 4.03Å
467	I	98.5	Very high	86.2	Confident	14 Å²	14	49.9 Å²	49.9	7%	0.072	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126	168.4	-57.6	177.8	0	0	0	106.2	I428 Y430 I448 R449	I428-I467 HydrophobicContact CB-CG1 4.36Å; I428-I467 HydrophobicContact CB-CG2 4.41Å; I428-I467 WeakPolarHBondContact O-CA 3.35Å; Y430-I467 HydrophobicContact CD2-CG2 3.91Å; Y430-I467 HydrophobicContact CE2-CG2 3.55Å; I448-I467 WeakPolarHBondContact CA-O 3.24Å; I448-I467 HydrophobicContact CB-CB 4.12Å; I448-I467 HydrophobicContact CB-CG2 3.88Å; I448-I467 VanDerWaalsContact CB-O 3.31Å; I448-I467 WeakPolarHBondContact CB-O 3.45Å; I448-I467 HydrophobicContact CG1-CG2 4.3Å; I448-I467 HydrophobicContact CG2-CG2 4.15Å; I448-I467 PolarHBondContact N-O 3.39Å; R449-I467 HydrophobicContact CB-CB 4.14Å; R449-I467 HydrophobicContact CB-CD1 4.49Å; R449-I467 HydrophobicContact CB-CG1 4.31Å; R449-I467 PolarHBondContact N-O 3.03Å; R449-I467 PolarHBondContact O-N 3.08Å
468	I	98.5	Very high	87.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	161	179.5	69.9	89.3	0	0	0	110.9	I428 V429 Y430 Y446 L470 A501 M505	I428-I468 PolarHBondContact O-N 3.46Å; V429-I468 WeakPolarHBondContact CA-O 3.47Å; V429-I468 HydrophobicContact CB-CD1 4.12Å; V429-I468 HydrophobicContact CB-CG1 4.43Å; V429-I468 HydrophobicContact CG1-CD1 3.56Å; V429-I468 HydrophobicContact CG1-CG1 4.38Å; V429-I468 HydrophobicContact CG2-CD1 3.91Å; V429-I468 HydrophobicContact CG2-CG1 3.91Å; Y430-I468 PolarHBondContact N-O 3.23Å; Y446-I468 CarbonylContact O-C 3.44Å; Y446-I468 WeakPolarHBondContact O-CA 3.38Å; Y446-I468 VanDerWaalsContact O-CB 3.32Å; Y446-I468 WeakPolarHBondContact O-CB 3.48Å; I468-L470 HydrophobicContact CD1-CD2 3.78Å; I468-L470 HydrophobicContact CD1-CG 3.75Å; I468-A501 HydrophobicContact CD1-CB 3.81Å; I468-A501 HydrophobicContact CG1-CB 4.45Å; I468-M505 HydrophobicContact CB-CE 4.41Å; I468-M505 HydrophobicContact CG1-CE 3.66Å; I468-M505 HydrophobicContact CG2-CE 3.91Å
469	T	98.5	Very high	88.7	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.4	170.6	-60.9	0	0	0	0	109.6	F51 L113 W406 Y430 H445 Y446	F51-T469 WeakPolarHBondContact CE1-OG1 3.48Å; L113-T469 HydrophobicContact CD1-CG2 4.03Å; W406-T469 HydrophobicContact CH2-CG2 3.52Å; W406-T469 HydrophobicContact CZ2-CG2 3.65Å; Y430-T469 CarbonylContact O-C 3.15Å; Y430-T469 VanDerWaalsContact O-CA 3.26Å; Y430-T469 WeakPolarHBondContact O-CA 3.3Å; H445-T469 WeakPolarHBondContact CA-O 3.49Å; Y446-T469 PolarHBondContact N-O 3.29Å; Y446-T469 PolarHBondContact O-N 3.31Å
470	L	98.3	Very high	89.5	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	127.9	166.8	-65.4	-172.9	0	0	0	109.4	V429 Y430 D432 L433 H445 I468 E497 W498 A501	V429-L470 HydrophobicContact CG1-CD1 4.18Å; V429-L470 HydrophobicContact CG1-CG 4.06Å; Y430-L470 PolarHBondContact O-N 3.41Å; D432-L470 PolarHBondContact N-O 3.45Å; L433-L470 HydrophobicContact CD2-CB 4.19Å; H445-L470 HydrophobicContact CB-CD2 3.94Å; I468-L470 HydrophobicContact CD1-CD2 3.78Å; I468-L470 HydrophobicContact CD1-CG 3.75Å; L470-E497 HydrophobicContact CD1-CB 4.41Å; L470-E497 HydrophobicContact CD2-CB 4.11Å; L470-E497 WeakPolarHBondContact CD2-O 3.41Å; L470-W498 HydrophobicContact CD1-CD2 3.92Å; L470-W498 HydrophobicContact CD1-CG 3.98Å; L470-W498 HydrophobicContact CD1-CZ2 4.36Å; L470-A501 HydrophobicContact CD1-CB 3.98Å; L470-A501 HydrophobicContact CD2-CB 4.1Å; L470-A501 HydrophobicContact CG-CB 4.29Å
471	Q	96.6	Very high	90.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	127.8	174.5	162.9	176.4	-13.2	0	0	109.1	L113 D432 P440 Q442 D443 C444 Y446	L113-Q471 HydrophobicContact CD1-CB 4.46Å; L113-Q471 VanDerWaalsContact CD2-CD 3.5Å; L113-Q471 HydrophobicContact CD2-CG 4.18Å; D432-Q471 VanDerWaalsContact O-CA 3.31Å; D432-Q471 WeakPolarHBondContact O-CA 3.46Å; P440-Q471 PolarHBondContact O-NE2 3.26Å; Q442-Q471 WeakPolarHBondContact O-CG 3.38Å; Q442-Q471 PolarHBondContact O-NE2 2.85Å; D443-Q471 CarbonylContact C-O 3.56Å; D443-Q471 VanDerWaalsContact CA-O 3.27Å; D443-Q471 WeakPolarHBondContact CA-O 3.49Å; C444-Q471 PolarHBondContact N-O 3.25Å; C444-Q471 PolarHBondContact O-N 3Å; C444-Q471 VanDerWaalsContact SG-CD 3.59Å; C444-Q471 PolarHBondContact SG-OE1 3.22Å; C444-Q471 VanDerWaalsContact SG-OE1 3.36Å; Y446-Q471 HydrophobicContact CE2-CB 4.44Å
472	L	96.9	Very high	91.5	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	167.8	165.6	-81.2	92.5	0	0	0	111.5	D432 L433 K439 D443 V474 N493 L494 E497	D432-L472 PolarHBondContact O-N 3.06Å; L433-L472 CarbonylContact C-O 3.08Å; L433-L472 VanDerWaalsContact C-O 3.3Å; L433-L472 HydrophobicContact CB-CB 4.37Å; L433-L472 HydrophobicContact CD2-CB 4.31Å; L433-L472 HydrophobicContact CD2-CD1 3.67Å; L433-L472 CarbonylContact O-C 3.59Å; L433-L472 VanDerWaalsContact O-C 3.3Å; K439-L472 WeakPolarHBondContact CE-O 3.25Å; K439-L472 PolarHBondContact NZ-O 3.42Å; D443-L472 HydrophobicContact CB-CG 4.09Å; D443-L472 VanDerWaalsContact OD1-CA 3.23Å; D443-L472 WeakPolarHBondContact OD1-CA 3.46Å; L472-V474 HydrophobicContact CB-CG2 4.3Å; L472-N493 HydrophobicContact CD2-CB 4.37Å; L472-L494 HydrophobicContact CD1-CD1 4.21Å; L472-L494 HydrophobicContact CD2-CB 4.07Å; L472-L494 HydrophobicContact CD2-CD1 4.22Å; L472-E497 HydrophobicContact CD1-CB 4.06Å; L472-E497 HydrophobicContact CD1-CG 3.86Å; L472-E497 HydrophobicContact CG-CG 4.4Å
473	T	93.7	Very high	91.7	Very high	35 Å²	35	38.4 Å²	38.4	22%	0.215	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	53.2	175.5	53.5	0	0	0	0	113.3	P440 D443	P440-T473 WeakPolarHBondContact O-CG2 3.21Å; D443-T473 PolarHBondContact OD1-N 3.45Å; D443-T473 PolarHBondContact OD1-OG1 3.39Å
474	V	94.2	Very high	91.8	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	133.3	174.5	-178.1	0	0	0	0	109.9	L433 L434 D435 L472 P484 L486	L433-V474 VanDerWaalsContact O-CB 3.3Å; L433-V474 WeakPolarHBondContact O-CB 3.35Å; L433-V474 PolarHBondContact O-N 2.84Å; L434-V474 CarbonylContact C-O 3.56Å; L434-V474 WeakPolarHBondContact CA-O 3.31Å; L434-V474 HydrophobicContact CD2-CB 4.38Å; D435-V474 PolarHBondContact N-O 3.34Å; L472-V474 HydrophobicContact CB-CG2 4.3Å; V474-P484 HydrophobicContact CG1-CB 3.8Å; V474-L486 HydrophobicContact CG1-CD1 3.75Å; V474-L486 HydrophobicContact CG1-CG 4.27Å; V474-L486 HydrophobicContact CG2-CD1 4.39Å; V474-L486 HydrophobicContact CG2-CG 4.31Å
475	S	91.5	Very high	91.7	Very high	74 Å²	74	36.9 Å²	36.9	52%	0.517	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-57.5	129.7	178.9	-56.7	0	0	0	0	111.1
476	P	89	Confident	91.7	Very high	68 Å²	68	35.5 Å²	35.5	44%	0.442	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-62.4	156.8	177.1	26.7	-34.5	0	0	0	111	E478	P476-E478 PolarHBondContact O-N 2.95Å
477	P	85.1	Confident	91.4	Very high	42 Å²	42	38.1 Å²	38.1	27%	0.273	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-66.3	135.1	-177.1	28	-32.6	0	0	0	111.3	S479 K482 P484	P477-S479 PolarHBondContact O-N 3.15Å; P477-K482 WeakPolarHBondContact CB-O 3.36Å; P477-P484 HydrophobicContact CB-CG 4.48Å
478	E	81.7	Confident	90.9	Very high	158 Å²	158	38.8 Å²	38.8	74%	0.738	23%	0.227	S	C	*	.	S	Bend	trans	-62.4	-25.2	176.1	-69.1	164.3	-148.2	0	0	112.9	P476 K482	P476-E478 PolarHBondContact O-N 2.95Å; E478-K482 VanDerWaalsContact CD-NZ 3.31Å; E478-K482 IonicContact OE1-NZ 3.57Å; E478-K482 PolarHBondContact OE1-NZ 3.42Å; E478-K482 IonicContact OE2-NZ 2.87Å; E478-K482 PolarHBondContact OE2-NZ 3.09Å
479	S	80.3	Confident	90.6	Very high	48 Å²	48	40.3 Å²	40.3	34%	0.336	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-155.5	159	179.6	68.2	0	0	0	0	110.8	P477 S481 K482	P477-S479 PolarHBondContact O-N 3.15Å; S479-S481 PolarHBondContact O-N 3.45Å; S479-S481 PolarHBondContact OG-N 2.82Å; S479-S481 PolarHBondContact OG-OG 3.38Å; S479-K482 PolarHBondContact O-N 3.39Å; S479-K482 VanDerWaalsContact O-N 3.16Å; S479-K482 PolarHBondContact OG-N 2.91Å
480	N	77.2	Confident	90.4	Very high	139 Å²	139	42.2 Å²	42.2	74%	0.743	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-2.2	175.6	-66.9	-10.4	0	0	0	114.9	R22	R22-N480 PolarHBondContact NH2-O 3.43Å
481	S	81.3	Confident	90.3	Very high	68 Å²	68	42.2 Å²	42.2	48%	0.476	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	-19	178.7	48.2	0	0	0	0	114.9	S479	S479-S481 PolarHBondContact O-N 3.45Å; S479-S481 PolarHBondContact OG-N 2.82Å; S479-S481 PolarHBondContact OG-OG 3.38Å
482	K	89.6	Confident	90.2	Very high	50 Å²	50	45 Å²	45	22%	0.217	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-108.7	119.1	-179.1	-177.4	-177.6	176.7	-170.7	0	107.7	P477 E478 S479 W548	P477-K482 WeakPolarHBondContact CB-O 3.36Å; E478-K482 VanDerWaalsContact CD-NZ 3.31Å; E478-K482 IonicContact OE1-NZ 3.57Å; E478-K482 PolarHBondContact OE1-NZ 3.42Å; E478-K482 IonicContact OE2-NZ 2.87Å; E478-K482 PolarHBondContact OE2-NZ 3.09Å; S479-K482 PolarHBondContact O-N 3.39Å; S479-K482 VanDerWaalsContact O-N 3.16Å; S479-K482 PolarHBondContact OG-N 2.91Å; K482-W548 HydrophobicContact CB-CH2 4.26Å; K482-W548 HydrophobicContact CB-CZ3 4.1Å; K482-W548 HydrophobicContact CG-CE3 4.35Å; K482-W548 HydrophobicContact CG-CH2 4.06Å; K482-W548 HydrophobicContact CG-CZ2 4.23Å; K482-W548 HydrophobicContact CG-CZ3 4.13Å
483	P	93.1	Very high	90.2	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.013	28%	0.281	C	S	.	.			trans	-68.3	162.9	177.8	30.2	-34.3	0	0	0	111.1	N33 L485 W548	N33-P483 HydrophobicContact CB-CB 3.75Å; N33-P483 VanDerWaalsContact OD1-CB 3.27Å; N33-P483 WeakPolarHBondContact OD1-CB 3.48Å; P483-L485 HydrophobicContact CG-CD2 4.35Å; P483-L485 PolarHBondContact O-N 3.04Å; P483-W548 HydrophobicContact CG-CB 3.71Å; P483-W548 HydrophobicContact CG-CG 4.39Å
484	P	94.2	Very high	90.4	Very high	6 Å²	6	46.5 Å²	46.5	4%	0.039	27%	0.271	C	S	.	.			trans	-57.1	126.8	166.4	-17.4	29.8	0	0	0	109.6	S375 L376 L434 V474 P477	S375-P484 CarbonylContact C-O 3.58Å; S375-P484 WeakPolarHBondContact CA-O 3.34Å; L376-P484 HydrophobicContact CB-CB 4.08Å; L376-P484 HydrophobicContact CB-CG 4.37Å; L376-P484 HydrophobicContact CD2-CB 4.47Å; L376-P484 HydrophobicContact CD2-CG 4.31Å; L376-P484 PolarHBondContact N-O 3.33Å; L434-P484 HydrophobicContact CD2-CB 4.23Å; L434-P484 HydrophobicContact CD2-CG 3.83Å; V474-P484 HydrophobicContact CG1-CB 3.8Å; P477-P484 HydrophobicContact CB-CG 4.48Å
485	L	94.1	Very high	90.6	Very high	38 Å²	38	46.5 Å²	46.5	20%	0.199	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-105.7	135.8	176.1	-61.1	179.9	0	0	0	109	P483 W548	P483-L485 HydrophobicContact CG-CD2 4.35Å; P483-L485 PolarHBondContact O-N 3.04Å; L485-W548 HydrophobicContact CD2-CB 4.1Å; L485-W548 HydrophobicContact CD2-CG 4.1Å
486	L	94.8	Very high	90.9	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	25%	0.252	C	S	.	.			trans	-97.5	138.4	-178.3	-78.8	64.7	0	0	0	109.6	F374 L376 C379 V474 Q490 V491 L494	F374-L486 PolarHBondContact O-N 3.35Å; L376-L486 HydrophobicContact CB-CD1 3.77Å; L376-L486 HydrophobicContact CD1-CD1 4.06Å; L376-L486 HydrophobicContact CD1-CD2 4.34Å; C379-L486 HydrophobicContact CB-CD2 4.47Å; V474-L486 HydrophobicContact CG1-CD1 3.75Å; V474-L486 HydrophobicContact CG1-CG 4.27Å; V474-L486 HydrophobicContact CG2-CD1 4.39Å; V474-L486 HydrophobicContact CG2-CG 4.31Å; L486-Q490 HydrophobicContact CB-CB 3.94Å; L486-Q490 HydrophobicContact CD2-CB 4.26Å; L486-Q490 HydrophobicContact CG-CB 3.97Å; L486-V491 HydrophobicContact CB-CG2 3.78Å; L486-V491 HydrophobicContact CD2-CG2 4.31Å; L486-L494 HydrophobicContact CD2-CB 4.31Å; L486-L494 HydrophobicContact CD2-CD2 4.01Å
487	S	91.4	Very high	91.3	Very high	56 Å²	56	41.8 Å²	41.8	39%	0.392	23%	0.234	S	C	.	.			trans	-67.5	161.6	159.3	65.4	0	0	0	0	110.3	G489 Q490 V491	S487-G489 VanDerWaalsContact C-N 3.3Å; S487-G489 PolarHBondContact O-N 2.79Å; S487-Q490 WeakPolarHBondContact O-CA 3.3Å; S487-Q490 WeakPolarHBondContact O-CB 3.44Å; S487-Q490 PolarHBondContact O-N 2.68Å; S487-Q490 WeakPolarHBondContact OG-CG 3.43Å; S487-Q490 PolarHBondContact OG-N 3.27Å; S487-Q490 PolarHBondContact OG-OE1 3.2Å; S487-V491 WeakPolarHBondContact O-CG2 3.49Å; S487-V491 PolarHBondContact O-N 3.24Å
488	I	89.7	Confident	92	Very high	29 Å²	29	39.8 Å²	39.8	15%	0.149	22%	0.221	C	C	.	.	H	α-helix	trans	-54.1	-46	179.1	-60.6	-61.6	0	0	0	111.8	F374 Q490 V491 E492 L536 L565 L569	F374-I488 HydrophobicContact CD2-CD1 3.99Å; F374-I488 HydrophobicContact CE2-CD1 3.58Å; F374-I488 HydrophobicContact CZ-CD1 4.41Å; I488-Q490 VanDerWaalsContact C-N 3.31Å; I488-Q490 PolarHBondContact O-N 2.76Å; I488-V491 WeakPolarHBondContact O-CB 3.5Å; I488-V491 PolarHBondContact O-N 2.92Å; I488-V491 VanDerWaalsContact O-N 3.08Å; I488-E492 PolarHBondContact O-N 2.8Å; I488-E492 VanDerWaalsContact O-N 3.1Å; I488-L536 HydrophobicContact CD1-CD2 4.44Å; I488-L536 HydrophobicContact CG2-CD1 3.43Å; I488-L536 VanDerWaalsContact CG2-CD1 3.43Å; I488-L536 HydrophobicContact CG2-CD2 3.97Å; I488-L536 HydrophobicContact CG2-CG 4.35Å; I488-L565 HydrophobicContact CD1-CD2 3.61Å; I488-L565 HydrophobicContact CG1-CD2 3.76Å; I488-L565 HydrophobicContact CG2-CD2 4.26Å; I488-L569 HydrophobicContact CG2-CD1 4.12Å
489	G	90.3	Very high	92.8	Very high	31 Å²	31	32.3 Å²	32.3	32%	0.32	19%	0.187	S	C	.	.	H	α-helix	trans	-64	-33.6	176.2	0	0	0	0	0	113.3	S487 V491 E492 N493	S487-G489 VanDerWaalsContact C-N 3.3Å; S487-G489 PolarHBondContact O-N 2.79Å; G489-V491 VanDerWaalsContact C-N 3.32Å; G489-V491 PolarHBondContact O-N 3.49Å; G489-E492 PolarHBondContact O-N 2.63Å; G489-N493 PolarHBondContact O-N 3.09Å; G489-N493 PolarHBondContact O-OD1 3.4Å
490	Q	94.8	Very high	93.6	Very high	40 Å²	40	30.8 Å²	30.8	19%	0.187	18%	0.175	C	C	.	.	H	α-helix	trans	-70.9	-27.8	173.7	-74.1	168	-47.8	0	0	112.7	L486 S487 I488 L494	L486-Q490 HydrophobicContact CB-CB 3.94Å; L486-Q490 HydrophobicContact CD2-CB 4.26Å; L486-Q490 HydrophobicContact CG-CB 3.97Å; S487-Q490 WeakPolarHBondContact O-CA 3.3Å; S487-Q490 WeakPolarHBondContact O-CB 3.44Å; S487-Q490 PolarHBondContact O-N 2.68Å; S487-Q490 WeakPolarHBondContact OG-CG 3.43Å; S487-Q490 PolarHBondContact OG-N 3.27Å; S487-Q490 PolarHBondContact OG-OE1 3.2Å; I488-Q490 VanDerWaalsContact C-N 3.31Å; I488-Q490 PolarHBondContact O-N 2.76Å; Q490-L494 WeakPolarHBondContact O-CB 3.48Å; Q490-L494 PolarHBondContact O-N 3.42Å
491	V	95.6	Very high	94.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.6	-46.5	171.4	-178.7	0	0	0	0	109.7	F374 L486 S487 I488 G489 L494 F495 A535 L536	F374-V491 HydrophobicContact CB-CG2 3.93Å; F374-V491 HydrophobicContact CD1-CG1 4.48Å; F374-V491 HydrophobicContact CD1-CG2 3.91Å; F374-V491 HydrophobicContact CD2-CG2 4.49Å; F374-V491 HydrophobicContact CG-CG2 3.87Å; L486-V491 HydrophobicContact CB-CG2 3.78Å; L486-V491 HydrophobicContact CD2-CG2 4.31Å; S487-V491 WeakPolarHBondContact O-CG2 3.49Å; S487-V491 PolarHBondContact O-N 3.24Å; I488-V491 WeakPolarHBondContact O-CB 3.5Å; I488-V491 PolarHBondContact O-N 2.92Å; I488-V491 VanDerWaalsContact O-N 3.08Å; G489-V491 VanDerWaalsContact C-N 3.32Å; G489-V491 PolarHBondContact O-N 3.49Å; V491-L494 PolarHBondContact O-N 3.44Å; V491-F495 HydrophobicContact CG1-CD2 4.21Å; V491-F495 HydrophobicContact CG1-CE2 4.09Å; V491-F495 VanDerWaalsContact O-CD2 3.25Å; V491-F495 WeakPolarHBondContact O-CD2 3.11Å; V491-F495 PolarHBondContact O-N 3.01Å; V491-F495 VanDerWaalsContact O-N 3.13Å; V491-A535 HydrophobicContact CG1-CB 4.32Å; V491-L536 HydrophobicContact CB-CD2 4.4Å; V491-L536 HydrophobicContact CG1-CD2 4.21Å
492	E	95.2	Very high	95.4	Very high	59 Å²	59	21.1 Å²	21.1	28%	0.276	12%	0.117	S	C	.	.	H	α-helix	trans	-58	-49.7	174.3	-67.9	174	132.9	0	0	111.1	I488 G489 L494 F495 H496 A535 L536	I488-E492 PolarHBondContact O-N 2.8Å; I488-E492 VanDerWaalsContact O-N 3.1Å; G489-E492 PolarHBondContact O-N 2.63Å; E492-L494 PolarHBondContact O-N 2.71Å; E492-F495 PolarHBondContact O-N 2.55Å; E492-F495 VanDerWaalsContact O-N 3.14Å; E492-H496 WeakPolarHBondContact O-CB 3.42Å; E492-H496 PolarHBondContact O-N 2.83Å; E492-A535 HydrophobicContact CG-CB 4.45Å; E492-L536 HydrophobicContact CG-CD1 3.66Å; E492-L536 HydrophobicContact CG-CG 4.02Å; E492-L536 WeakPolarHBondContact OE1-CD1 3.38Å
493	N	96.9	Very high	95.9	Very high	68 Å²	68	18.8 Å²	18.8	36%	0.364	11%	0.107	S	C	.	.	H	α-helix	trans	-59.2	-42.4	177.8	-67.8	3.7	0	0	0	112.5	D443 L472 G489 F495 H496 E497	D443-N493 WeakPolarHBondContact OD2-CB 3.48Å; D443-N493 PolarHBondContact OD2-ND2 3.38Å; L472-N493 HydrophobicContact CD2-CB 4.37Å; G489-N493 PolarHBondContact O-N 3.09Å; G489-N493 PolarHBondContact O-OD1 3.4Å; N493-F495 VanDerWaalsContact C-N 3.3Å; N493-F495 PolarHBondContact O-N 2.76Å; N493-H496 WeakPolarHBondContact O-CB 3.2Å; N493-H496 PolarHBondContact O-N 3.48Å; N493-E497 WeakPolarHBondContact O-CG 3.34Å; N493-E497 PolarHBondContact O-N 2.74Å
494	L	98.2	Very high	96.1	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.2	-42.8	177.2	178.8	67.7	0	0	0	111.5	L376 C379 M380 L433 L472 L486 Q490 V491 E492 W498	L376-L494 HydrophobicContact CD1-CD2 4.14Å; C379-L494 HydrophobicContact CB-CD2 3.53Å; M380-L494 HydrophobicContact SD-CD1 4.05Å; M380-L494 HydrophobicContact SD-CD2 4.2Å; L433-L494 HydrophobicContact CD1-CD1 4.13Å; L472-L494 HydrophobicContact CD1-CD1 4.21Å; L472-L494 HydrophobicContact CD2-CB 4.07Å; L472-L494 HydrophobicContact CD2-CD1 4.22Å; L486-L494 HydrophobicContact CD2-CB 4.31Å; L486-L494 HydrophobicContact CD2-CD2 4.01Å; Q490-L494 WeakPolarHBondContact O-CB 3.48Å; Q490-L494 PolarHBondContact O-N 3.42Å; V491-L494 PolarHBondContact O-N 3.44Å; E492-L494 PolarHBondContact O-N 2.71Å; L494-W498 PolarHBondContact O-N 2.9Å; L494-W498 VanDerWaalsContact O-N 3.08Å
495	F	98.3	Very high	96.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-70.6	-38.3	178.2	-83.4	-119.5	0	0	0	111.4	C379 V383 L386 V491 E492 N493 W498 G499 F531 F534 A535 Y544	C379-F495 HydrophobicContact CB-CE2 4.36Å; V383-F495 HydrophobicContact CG2-CD2 4.15Å; V383-F495 HydrophobicContact CG2-CE1 4.37Å; V383-F495 HydrophobicContact CG2-CE2 4Å; V383-F495 HydrophobicContact CG2-CG 4.42Å; V383-F495 HydrophobicContact CG2-CZ 4.11Å; L386-F495 HydrophobicContact CD1-CD1 4.21Å; L386-F495 HydrophobicContact CD1-CE1 3.59Å; V491-F495 HydrophobicContact CG1-CD2 4.21Å; V491-F495 HydrophobicContact CG1-CE2 4.09Å; V491-F495 VanDerWaalsContact O-CD2 3.25Å; V491-F495 WeakPolarHBondContact O-CD2 3.11Å; V491-F495 PolarHBondContact O-N 3.01Å; V491-F495 VanDerWaalsContact O-N 3.13Å; E492-F495 PolarHBondContact O-N 2.55Å; E492-F495 VanDerWaalsContact O-N 3.14Å; N493-F495 VanDerWaalsContact C-N 3.3Å; N493-F495 PolarHBondContact O-N 2.76Å; F495-W498 CarbonylContact O-C 3.52Å; F495-W498 PolarHBondContact O-N 2.86Å; F495-G499 PolarHBondContact O-N 3.09Å; F495-F531 HydrophobicContact CB-CD1 4.18Å; F495-F531 AromaticContact CD1-CD1 3.94Å; F495-F531 HydrophobicContact CD1-CD1 3.94Å; F495-F531 HydrophobicContact CD1-CE1 4.14Å; F495-F531 HydrophobicContact CG-CD1 4.42Å; F495-F531 WeakPolarHBondContact O-CD1 3.38Å; F495-F534 HydrophobicContact CD1-CB 4.46Å; F495-A535 HydrophobicContact CB-CB 3.68Å; F495-A535 HydrophobicContact CD1-CB 3.75Å; F495-A535 HydrophobicContact CD2-CB 3.93Å; F495-A535 HydrophobicContact CE1-CB 4.32Å; F495-A535 HydrophobicContact CE2-CB 4.49Å; F495-A535 HydrophobicContact CG-CB 3.51Å; F495-Y544 HydrophobicContact CZ-CE1 4.03Å
496	H	98.1	Very high	96.4	Very high	28 Å²	28	17.1 Å²	17.1	13%	0.13	10%	0.099	C	C	.	.	H	α-helix	trans	-54.4	-54.1	172.7	-178.3	101.4	0	0	0	111.2	E492 N493 W498 G499 H500 E525 S528 E532	E492-H496 WeakPolarHBondContact O-CB 3.42Å; E492-H496 PolarHBondContact O-N 2.83Å; N493-H496 WeakPolarHBondContact O-CB 3.2Å; N493-H496 PolarHBondContact O-N 3.48Å; H496-W498 VanDerWaalsContact C-N 3.3Å; H496-W498 PolarHBondContact O-N 3.42Å; H496-G499 WeakPolarHBondContact O-CA 3.5Å; H496-G499 PolarHBondContact O-N 3.28Å; H496-H500 AromaticContact CD2-CD2 3.9Å; H496-H500 AromaticContact CD2-NE2 3.79Å; H496-H500 AromaticContact NE2-CD2 3.86Å; H496-H500 AromaticContact NE2-NE2 3.26Å; H496-H500 PolarHBondContact NE2-NE2 3.47Å; H496-H500 PolarHBondContact O-N 3.42Å; H496-E525 IonicContact CE1-OE2 2.69Å; H496-E525 IonicContact NE2-OE2 3.79Å; H496-S528 VanDerWaalsContact CE1-CB 3.49Å; H496-S528 WeakPolarHBondContact CE1-CB 3.47Å; H496-S528 PolarHBondContact CE1-OG 3.23Å; H496-S528 PolarHBondContact NE2-OG 2.86Å; H496-S528 WeakPolarHBondContact O-CB 3.43Å; H496-E532 HydrophobicContact CB-CG 4.04Å; H496-E532 IonicContact CE1-OE1 3.56Å; H496-E532 IonicContact CG-OE1 3.57Å; H496-E532 IonicContact ND1-OE1 3.29Å; H496-E532 PolarHBondContact ND1-OE1 3.36Å
497	E	98.3	Very high	96.6	Very high	14 Å²	14	17.1 Å²	17.1	7%	0.065	10%	0.098	C	C	.	.	H	α-helix	trans	-63.1	-35.7	179.3	-66.4	-53.2	147.8	0	0	112.3	D443 C444 H445 L470 L472 N493 G499 H500 A501	D443-E497 HydrophobicContact CB-CG 4.32Å; C444-E497 WeakPolarHBondContact CA-OE2 3.42Å; H445-E497 PolarHBondContact N-OE2 3.49Å; L470-E497 HydrophobicContact CD1-CB 4.41Å; L470-E497 HydrophobicContact CD2-CB 4.11Å; L470-E497 WeakPolarHBondContact CD2-O 3.41Å; L472-E497 HydrophobicContact CD1-CB 4.06Å; L472-E497 HydrophobicContact CD1-CG 3.86Å; L472-E497 HydrophobicContact CG-CG 4.4Å; N493-E497 WeakPolarHBondContact O-CG 3.34Å; N493-E497 PolarHBondContact O-N 2.74Å; E497-G499 VanDerWaalsContact C-N 3.33Å; E497-H500 WeakPolarHBondContact O-CB 3.32Å; E497-H500 PolarHBondContact O-N 3.29Å; E497-H500 IonicContact OE2-CD2 3.94Å; E497-A501 PolarHBondContact O-N 2.91Å
498	W	98.2	Very high	96.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-70.1	-27.5	172.3	-91.1	101.6	0	0	0	113.7	M380 V383 L395 V413 V429 L470 L494 F495 H496 H500 A501 L502	M380-W498 HydrophobicContact CE-CH2 4.49Å; M380-W498 HydrophobicContact CE-CZ2 3.38Å; M380-W498 HydrophobicContact SD-CZ2 4.45Å; M380-W498 PolarHBondContact SD-NE1 3.06Å; V383-W498 HydrophobicContact CB-CG 4.4Å; V383-W498 HydrophobicContact CG1-CB 3.94Å; V383-W498 HydrophobicContact CG1-CD2 3.42Å; V383-W498 VanDerWaalsContact CG1-CD2 3.42Å; V383-W498 HydrophobicContact CG1-CE3 3.69Å; V383-W498 HydrophobicContact CG1-CG 3.51Å; V383-W498 HydrophobicContact CG1-CZ3 4.37Å; V383-W498 HydrophobicContact CG2-CB 4.21Å; V383-W498 HydrophobicContact CG2-CG 4.02Å; L395-W498 HydrophobicContact CD1-CH2 3.9Å; L395-W498 HydrophobicContact CD1-CZ3 3.96Å; L395-W498 HydrophobicContact CD2-CH2 4.44Å; L395-W498 HydrophobicContact CD2-CZ3 4.3Å; V413-W498 HydrophobicContact CG1-CH2 4.39Å; V429-W498 HydrophobicContact CB-CH2 4.21Å; V429-W498 HydrophobicContact CG1-CH2 4.01Å; V429-W498 HydrophobicContact CG1-CZ2 4.18Å; V429-W498 HydrophobicContact CG2-CH2 4.14Å; V429-W498 HydrophobicContact CG2-CZ3 4.26Å; L470-W498 HydrophobicContact CD1-CD2 3.92Å; L470-W498 HydrophobicContact CD1-CG 3.98Å; L470-W498 HydrophobicContact CD1-CZ2 4.36Å; L494-W498 PolarHBondContact O-N 2.9Å; L494-W498 VanDerWaalsContact O-N 3.08Å; F495-W498 CarbonylContact O-C 3.52Å; F495-W498 PolarHBondContact O-N 2.86Å; H496-W498 VanDerWaalsContact C-N 3.3Å; H496-W498 PolarHBondContact O-N 3.42Å; W498-H500 VanDerWaalsContact C-N 3.34Å; W498-A501 HydrophobicContact CD2-CB 4.37Å; W498-A501 HydrophobicContact CE3-CB 3.86Å; W498-A501 HydrophobicContact CZ3-CB 4.29Å; W498-A501 PolarHBondContact O-N 3.3Å; W498-L502 HydrophobicContact CE3-CG 4.34Å; W498-L502 VanDerWaalsContact O-CB 3.32Å; W498-L502 WeakPolarHBondContact O-CB 3.46Å; W498-L502 WeakPolarHBondContact O-CG 3.36Å; W498-L502 PolarHBondContact O-N 3.04Å
499	G	98.3	Very high	97.1	Very high	2 Å²	2	17 Å²	17	2%	0.021	9%	0.088	C	C	.	.	H	α-helix	trans	-62.4	-41.8	169.8	0	0	0	0	0	111.7	F495 H496 E497 H503	F495-G499 PolarHBondContact O-N 3.09Å; H496-G499 WeakPolarHBondContact O-CA 3.5Å; H496-G499 PolarHBondContact O-N 3.28Å; E497-G499 VanDerWaalsContact C-N 3.33Å; G499-H503 WeakPolarHBondContact O-CB 3.38Å; G499-H503 PolarHBondContact O-N 3.33Å
500	H	98.4	Very high	97.3	Very high	16 Å²	16	19 Å²	19	7%	0.074	9%	0.086	C	C	.	.	H	α-helix	trans	-63.2	-46.9	169.9	-69.1	-50.6	0	0	0	112.3	H445 H496 E497 W498 L502 H503 S504 T517 A524 S528	H445-H500 HydrophobicContact CB-CB 4.03Å; H496-H500 AromaticContact CD2-CD2 3.9Å; H496-H500 AromaticContact CD2-NE2 3.79Å; H496-H500 AromaticContact NE2-CD2 3.86Å; H496-H500 AromaticContact NE2-NE2 3.26Å; H496-H500 PolarHBondContact NE2-NE2 3.47Å; H496-H500 PolarHBondContact O-N 3.42Å; E497-H500 WeakPolarHBondContact O-CB 3.32Å; E497-H500 PolarHBondContact O-N 3.29Å; E497-H500 IonicContact OE2-CD2 3.94Å; W498-H500 VanDerWaalsContact C-N 3.34Å; H500-L502 VanDerWaalsContact C-N 3.35Å; H500-L502 PolarHBondContact O-N 2.86Å; H500-H503 WeakPolarHBondContact O-CB 3.4Å; H500-H503 PolarHBondContact O-N 3.08Å; H500-S504 PolarHBondContact O-N 2.93Å; H500-S504 PolarHBondContact O-OG 2.95Å; H500-T517 HydrophobicContact CB-CG2 4.1Å; H500-A524 PolarHBondContact CE1-O 2.82Å; H500-A524 PolarHBondContact ND1-O 3.4Å; H500-A524 VanDerWaalsContact ND1-O 3.11Å; H500-S528 VanDerWaalsContact CE1-CB 3.47Å; H500-S528 WeakPolarHBondContact CE1-CB 3.29Å; H500-S528 PolarHBondContact CE1-OG 3.43Å; H500-S528 WeakPolarHBondContact NE2-CB 3.4Å; H500-S528 PolarHBondContact NE2-OG 3.35Å
501	A	98.5	Very high	97.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-59	-45.7	178.4	0	0	0	0	0	111.8	I468 L470 E497 W498 H503 S504 M505	I468-A501 HydrophobicContact CD1-CB 3.81Å; I468-A501 HydrophobicContact CG1-CB 4.45Å; L470-A501 HydrophobicContact CD1-CB 3.98Å; L470-A501 HydrophobicContact CD2-CB 4.1Å; L470-A501 HydrophobicContact CG-CB 4.29Å; E497-A501 PolarHBondContact O-N 2.91Å; W498-A501 HydrophobicContact CD2-CB 4.37Å; W498-A501 HydrophobicContact CE3-CB 3.86Å; W498-A501 HydrophobicContact CZ3-CB 4.29Å; W498-A501 PolarHBondContact O-N 3.3Å; A501-H503 VanDerWaalsContact C-N 3.35Å; A501-H503 PolarHBondContact O-N 3.41Å; A501-S504 WeakPolarHBondContact O-CB 3.26Å; A501-S504 PolarHBondContact O-N 3.22Å; A501-M505 WeakPolarHBondContact O-CB 3.48Å; A501-M505 VanDerWaalsContact O-CG 3.22Å; A501-M505 WeakPolarHBondContact O-CG 3.22Å; A501-M505 PolarHBondContact O-N 2.95Å
502	L	98.4	Very high	97.5	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.016	8%	0.078	C	C	.	.	H	α-helix	trans	-64.7	-38.7	178.4	-71.8	170.2	0	0	0	111.5	A387 F391 L393 W498 H500 S504 M505 L506 F531	A387-L502 HydrophobicContact CB-CD2 3.97Å; F391-L502 HydrophobicContact CE2-CD1 4.2Å; L393-L502 HydrophobicContact CD1-CD2 3.82Å; W498-L502 HydrophobicContact CE3-CG 4.34Å; W498-L502 VanDerWaalsContact O-CB 3.32Å; W498-L502 WeakPolarHBondContact O-CB 3.46Å; W498-L502 WeakPolarHBondContact O-CG 3.36Å; W498-L502 PolarHBondContact O-N 3.04Å; H500-L502 VanDerWaalsContact C-N 3.35Å; H500-L502 PolarHBondContact O-N 2.86Å; L502-S504 VanDerWaalsContact C-N 3.35Å; L502-S504 PolarHBondContact O-N 3.31Å; L502-M505 PolarHBondContact O-N 3.09Å; L502-L506 HydrophobicContact CB-CD1 4.48Å; L502-L506 WeakPolarHBondContact O-CB 3.49Å; L502-L506 VanDerWaalsContact O-CG 3.23Å; L502-L506 WeakPolarHBondContact O-CG 3.28Å; L502-L506 PolarHBondContact O-N 3.44Å; L502-F531 HydrophobicContact CD1-CD1 4.48Å; L502-F531 HydrophobicContact CD1-CD2 4.4Å; L502-F531 HydrophobicContact CD1-CE1 3.75Å; L502-F531 HydrophobicContact CD1-CE2 3.67Å; L502-F531 HydrophobicContact CD1-CZ 3.29Å
503	H	98.3	Very high	97.6	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-58.2	-48.2	172	-173.3	-167.4	0	0	0	111.1	G499 H500 A501 M505 L506 A507 G516 P527 L693	G499-H503 WeakPolarHBondContact O-CB 3.38Å; G499-H503 PolarHBondContact O-N 3.33Å; H500-H503 WeakPolarHBondContact O-CB 3.4Å; H500-H503 PolarHBondContact O-N 3.08Å; A501-H503 VanDerWaalsContact C-N 3.35Å; A501-H503 PolarHBondContact O-N 3.41Å; H503-M505 PolarHBondContact O-N 2.67Å; H503-L506 PolarHBondContact O-N 3.01Å; H503-A507 WeakPolarHBondContact O-CB 3.31Å; H503-A507 PolarHBondContact O-N 3.29Å; H503-G516 PolarHBondContact CE1-O 3.13Å; H503-G516 PolarHBondContact NE2-O 3.43Å; H503-P527 HydrophobicContact CB-CB 4.08Å; H503-P527 HydrophobicContact CB-CG 4.17Å; H503-L693 HydrophobicContact CB-CD2 4.17Å
504	S	98.3	Very high	97.6	Very high	4 Å²	4	12.8 Å²	12.8	3%	0.028	5%	0.054	C	C	.	.	H	α-helix	trans	-60.6	-42	174.6	-65	0	0	0	0	112.7	H445 P466 H500 A501 L502	H445-S504 PolarHBondContact CE1-OG 2.95Å; H445-S504 PolarHBondContact NE2-OG 3.07Å; H445-S504 VanDerWaalsContact NE2-OG 3.08Å; P466-S504 WeakPolarHBondContact CG-O 3.46Å; H500-S504 PolarHBondContact O-N 2.93Å; H500-S504 PolarHBondContact O-OG 2.95Å; A501-S504 WeakPolarHBondContact O-CB 3.26Å; A501-S504 PolarHBondContact O-N 3.22Å; L502-S504 VanDerWaalsContact C-N 3.35Å; L502-S504 PolarHBondContact O-N 3.31Å
505	M	97.7	Very high	97.6	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-72.1	-29.7	-179.7	-66.7	-54.5	107.3	0	0	113.3	V415 V429 P466 I468 A501 L502 H503 R508	V415-M505 HydrophobicContact CB-CG 4.37Å; V415-M505 HydrophobicContact CB-SD 4.24Å; V415-M505 HydrophobicContact CG1-CB 4.45Å; V415-M505 HydrophobicContact CG1-CG 4.33Å; V415-M505 HydrophobicContact CG2-CG 3.97Å; V415-M505 HydrophobicContact CG2-SD 3.9Å; V429-M505 HydrophobicContact CG2-CE 4.15Å; V429-M505 HydrophobicContact CG2-CG 4.34Å; V429-M505 HydrophobicContact CG2-SD 4.11Å; P466-M505 HydrophobicContact CB-CE 3.85Å; P466-M505 HydrophobicContact CG-CE 3.68Å; P466-M505 HydrophobicContact CG-SD 4.03Å; I468-M505 HydrophobicContact CB-CE 4.41Å; I468-M505 HydrophobicContact CG1-CE 3.66Å; I468-M505 HydrophobicContact CG2-CE 3.91Å; A501-M505 WeakPolarHBondContact O-CB 3.48Å; A501-M505 VanDerWaalsContact O-CG 3.22Å; A501-M505 WeakPolarHBondContact O-CG 3.22Å; A501-M505 PolarHBondContact O-N 2.95Å; L502-M505 PolarHBondContact O-N 3.09Å; H503-M505 PolarHBondContact O-N 2.67Å; M505-R508 PolarHBondContact O-NH1 3.33Å; M505-R508 PolarHBondContact O-NH2 3.03Å
506	L	97.5	Very high	97.5	Very high	8 Å²	8	13 Å²	13	4%	0.042	6%	0.055	C	C	.	.	H	α-helix	trans	-94.2	-21.9	-176.2	-68.8	172.2	0	0	0	113.1	F391 L393 L502 H503 R508 M689 L693	F391-L506 HydrophobicContact CB-CD1 4.03Å; F391-L506 HydrophobicContact CB-CD2 4.15Å; F391-L506 HydrophobicContact CD1-CD1 3.78Å; F391-L506 HydrophobicContact CD2-CD1 3.65Å; F391-L506 HydrophobicContact CE1-CD1 4.11Å; F391-L506 HydrophobicContact CE2-CD1 3.99Å; F391-L506 HydrophobicContact CG-CD1 3.53Å; F391-L506 HydrophobicContact CZ-CD1 4.21Å; L393-L506 HydrophobicContact CD1-CD2 3.8Å; L393-L506 HydrophobicContact CD1-CG 4.22Å; L393-L506 HydrophobicContact CD2-CD2 4.13Å; L393-L506 HydrophobicContact CG-CD2 4.24Å; L502-L506 HydrophobicContact CB-CD1 4.48Å; L502-L506 WeakPolarHBondContact O-CB 3.49Å; L502-L506 VanDerWaalsContact O-CG 3.23Å; L502-L506 WeakPolarHBondContact O-CG 3.28Å; L502-L506 PolarHBondContact O-N 3.44Å; H503-L506 PolarHBondContact O-N 3.01Å; L506-R508 PolarHBondContact O-N 2.8Å; L506-M689 HydrophobicContact CB-CG 4.29Å; L506-M689 HydrophobicContact CD1-CG 4.23Å; L506-M689 HydrophobicContact CD2-CG 4.15Å; L506-M689 HydrophobicContact CD2-SD 3.77Å; L506-M689 HydrophobicContact CG-CG 4.46Å; L506-L693 HydrophobicContact CB-CB 4.13Å; L506-L693 HydrophobicContact CD1-CD1 3.6Å
507	A	97.3	Very high	97.4	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.057	C	C	.	.			trans	-56	124.6	171.6	0	0	0	0	0	111	Y463 H503 L693	Y463-A507 PolarHBondContact OH-O 3.08Å; H503-A507 WeakPolarHBondContact O-CB 3.31Å; H503-A507 PolarHBondContact O-N 3.29Å; A507-L693 VanDerWaalsContact CA-O 3.31Å; A507-L693 WeakPolarHBondContact CA-O 3.4Å; A507-L693 PolarHBondContact N-O 2.69Å
508	R	95.2	Very high	97.3	Very high	84 Å²	84	15.2 Å²	15.2	32%	0.317	7%	0.065	S	C	.	.			trans	-125.2	46	179.2	-70.2	-65.8	176	-82.2	-14.9	110.8	Y463 M505 L506 C694	Y463-R508 WeakPolarHBondContact OH-CA 3.48Å; M505-R508 PolarHBondContact O-NH1 3.33Å; M505-R508 PolarHBondContact O-NH2 3.03Å; L506-R508 PolarHBondContact O-N 2.8Å; R508-C694 PolarHBondContact N-O 3.27Å
509	T	96.9	Very high	97.2	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.076	C	C	.	.			trans	-69.5	149.6	-177.9	59	0	0	0	0	111.9	G451 C453 Y463 Y511 V514 T515 H695 E698	G451-T509 PolarHBondContact O-OG1 3.15Å; C453-T509 PolarHBondContact N-O 2.91Å; Y463-T509 WeakPolarHBondContact CE2-O 3.36Å; Y463-T509 PolarHBondContact OH-N 3.48Å; Y463-T509 PolarHBondContact OH-O 3.21Å; T509-Y511 VanDerWaalsContact C-N 3.33Å; T509-Y511 WeakPolarHBondContact CB-O 3.48Å; T509-Y511 PolarHBondContact OG1-O 3.17Å; T509-V514 HydrophobicContact CG2-CG2 4.46Å; T509-T515 WeakPolarHBondContact OG1-CA 3.43Å; T509-T515 WeakPolarHBondContact OG1-CB 3.46Å; T509-T515 PolarHBondContact OG1-OG1 3.1Å; T509-T515 VanDerWaalsContact OG1-OG1 3.1Å; T509-H695 VanDerWaalsContact CG2-O 3.23Å; T509-H695 WeakPolarHBondContact CG2-O 3.44Å; T509-E698 VanDerWaalsContact CA-OE1 3.22Å; T509-E698 WeakPolarHBondContact CA-OE1 3.33Å; T509-E698 WeakPolarHBondContact CB-OE1 3.48Å; T509-E698 HydrophobicContact CG2-CG 3.75Å
510	R	95.5	Very high	97	Very high	73 Å²	73	18 Å²	18	28%	0.275	8%	0.084	S	C	.	.	S	Bend	trans	-62.2	-43	170.2	-174.4	-175	-57.6	174.8	2.3	110.8	D166 D169 C453 E698	D166-R510 IonicContact OD1-CZ 3.3Å; D166-R510 IonicContact OD1-NH1 3.01Å; D166-R510 PolarHBondContact OD1-NH1 3.46Å; D166-R510 IonicContact OD1-NH2 3.85Å; D166-R510 IonicContact OD2-CZ 3.38Å; D166-R510 VanDerWaalsContact OD2-CZ 3.24Å; D166-R510 IonicContact OD2-NH1 2.88Å; D166-R510 PolarHBondContact OD2-NH1 2.76Å; D166-R510 IonicContact OD2-NH2 2.62Å; D166-R510 PolarHBondContact OD2-NH2 2.91Å; D169-R510 VanDerWaalsContact CG-NH1 3.28Å; D169-R510 IonicContact OD1-CZ 3.83Å; D169-R510 IonicContact OD1-NH1 3.15Å; D169-R510 PolarHBondContact OD1-NH1 3.28Å; D169-R510 IonicContact OD2-NH1 2.73Å; D169-R510 PolarHBondContact OD2-NH1 3.01Å; C453-R510 PolarHBondContact N-O 3.02Å; C453-R510 VanDerWaalsContact N-O 3.15Å; R510-E698 WeakPolarHBondContact CB-OE1 3.36Å; R510-E698 PolarHBondContact N-OE1 3.06Å
511	Y	97.5	Very high	96.8	Very high	5 Å²	5	18.7 Å²	18.7	2%	0.02	9%	0.089	C	C	.	.			trans	-109.9	141.3	-175.3	-61.8	-61.9	0	0	0	111.5	V90 Q91 D94 V168 D169 V172 T509 H513	V90-Y511 HydrophobicContact CG1-CE1 4.43Å; V90-Y511 VanDerWaalsContact CG1-OH 3.28Å; V90-Y511 WeakPolarHBondContact CG1-OH 3.45Å; V90-Y511 HydrophobicContact CG2-CD2 4.5Å; V90-Y511 HydrophobicContact CG2-CE1 4.2Å; V90-Y511 HydrophobicContact CG2-CE2 4.02Å; Q91-Y511 HydrophobicContact CG-CE1 3.96Å; D94-Y511 HydrophobicContact CB-CD1 3.62Å; D94-Y511 HydrophobicContact CB-CE1 4.35Å; D94-Y511 HydrophobicContact CB-CG 4.39Å; D94-Y511 WeakPolarHBondContact OD1-CB 3.1Å; D94-Y511 WeakPolarHBondContact OD2-CA 3.46Å; D94-Y511 WeakPolarHBondContact OD2-CD1 3.48Å; V168-Y511 HydrophobicContact CG1-CD2 4.26Å; V168-Y511 HydrophobicContact CG1-CE2 4.3Å; D169-Y511 WeakPolarHBondContact OD1-CE2 3.47Å; D169-Y511 PolarHBondContact OD1-OH 3.2Å; V172-Y511 HydrophobicContact CB-CD2 3.9Å; V172-Y511 HydrophobicContact CB-CE2 4.34Å; V172-Y511 HydrophobicContact CG1-CD2 3.96Å; V172-Y511 HydrophobicContact CG1-CG 4.09Å; V172-Y511 HydrophobicContact CG2-CD2 3.67Å; V172-Y511 HydrophobicContact CG2-CE2 4.4Å; V172-Y511 HydrophobicContact CG2-CG 4.41Å; T509-Y511 VanDerWaalsContact C-N 3.33Å; T509-Y511 WeakPolarHBondContact CB-O 3.48Å; T509-Y511 PolarHBondContact OG1-O 3.17Å; Y511-H513 VanDerWaalsContact C-N 3.33Å
512	Q	97	Very high	96.7	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-68.4	-35.9	176.6	129.5	76	6.9	0	0	110.9	D94 D98 R452 V514 T515 R518	D94-Q512 WeakPolarHBondContact OD1-CA 3.41Å; D94-Q512 PolarHBondContact OD1-N 3.25Å; D94-Q512 PolarHBondContact OD2-N 2.89Å; D94-Q512 VanDerWaalsContact OD2-N 3.13Å; D98-Q512 HydrophobicContact CB-CG 3.92Å; R452-Q512 HydrophobicContact CB-CB 3.86Å; R452-Q512 HydrophobicContact CG-CB 4.15Å; Q512-V514 PolarHBondContact O-N 3.41Å; Q512-T515 WeakPolarHBondContact O-CG2 3.49Å; Q512-T515 PolarHBondContact O-N 3.12Å; Q512-T515 VanDerWaalsContact O-N 3.11Å; Q512-R518 WeakPolarHBondContact O-CD 3.27Å
513	H	96.8	Very high	96.6	Very high	27 Å²	27	18.9 Å²	18.9	13%	0.125	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-57.5	-24.5	-175.1	-174.4	77.7	0	0	0	113.5	D94 S97 F176 D179 Y511 R518	D94-H513 PolarHBondContact OD1-N 3.06Å; S97-H513 PolarHBondContact OG-ND1 3.24Å; F176-H513 AromaticContact CD1-CE1 3.96Å; F176-H513 HydrophobicContact CE1-CB 4.26Å; F176-H513 AromaticContact CE1-CE1 3.62Å; F176-H513 AromaticContact CE1-CG 3.66Å; F176-H513 AromaticContact CE1-ND1 3.33Å; F176-H513 VanDerWaalsContact CE1-ND1 3.33Å; F176-H513 WeakPolarHBondContact CE1-ND1 3.46Å; F176-H513 HydrophobicContact CE2-CB 4.14Å; F176-H513 HydrophobicContact CZ-CB 3.59Å; F176-H513 AromaticContact CZ-CG 3.45Å; F176-H513 VanDerWaalsContact CZ-CG 3.45Å; F176-H513 AromaticContact CZ-ND1 3.61Å; D179-H513 IonicContact OD2-CE1 2.7Å; D179-H513 PolarHBondContact OD2-CE1 3.23Å; D179-H513 VanDerWaalsContact OD2-CE1 3.29Å; D179-H513 IonicContact OD2-NE2 3.49Å; Y511-H513 VanDerWaalsContact C-N 3.33Å; H513-R518 VanDerWaalsContact O-CB 3.3Å; H513-R518 WeakPolarHBondContact O-CB 3.29Å
514	V	97.5	Very high	96.5	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.012	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-117.8	16	-178.1	-63.9	0	0	0	0	114	V172 L175 T509 Q512 R518 G697 E698	V172-V514 HydrophobicContact CG2-CG1 3.88Å; V172-V514 HydrophobicContact CG2-CG2 3.85Å; L175-V514 HydrophobicContact CD1-CG1 3.56Å; T509-V514 HydrophobicContact CG2-CG2 4.46Å; Q512-V514 PolarHBondContact O-N 3.41Å; V514-R518 CarbonylContact C-O 3.53Å; V514-R518 VanDerWaalsContact CA-O 3.31Å; V514-R518 WeakPolarHBondContact CA-O 3.19Å; V514-G697 PolarHBondContact O-N 3.2Å; V514-E698 HydrophobicContact CG2-CG 3.61Å
515	T	97.9	Very high	96.5	Very high	4 Å²	4	20.2 Å²	20.2	3%	0.025	10%	0.098	C	C	.	.	S	Bend	trans	-82.3	139	-174.5	-159.7	0	0	0	0	113.1	G451 T509 Q512 T517 R518	G451-T515 VanDerWaalsContact N-CG2 3.28Å; G451-T515 PolarHBondContact N-OG1 2.99Å; G451-T515 VanDerWaalsContact O-CB 3.22Å; G451-T515 WeakPolarHBondContact O-CB 3.28Å; G451-T515 PolarHBondContact O-OG1 2.96Å; G451-T515 VanDerWaalsContact O-OG1 3.1Å; T509-T515 WeakPolarHBondContact OG1-CA 3.43Å; T509-T515 WeakPolarHBondContact OG1-CB 3.46Å; T509-T515 PolarHBondContact OG1-OG1 3.1Å; T509-T515 VanDerWaalsContact OG1-OG1 3.1Å; Q512-T515 WeakPolarHBondContact O-CG2 3.49Å; Q512-T515 PolarHBondContact O-N 3.12Å; Q512-T515 VanDerWaalsContact O-N 3.11Å; T515-T517 PolarHBondContact O-N 3.14Å; T515-R518 VanDerWaalsContact O-CB 3.31Å; T515-R518 WeakPolarHBondContact O-CB 3.22Å; T515-R518 PolarHBondContact O-N 3.15Å
516	G	96.8	Very high	96.5	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-122.6	175.7	0	0	0	0	0	112.6	H503 R518 C519	H503-G516 PolarHBondContact CE1-O 3.13Å; H503-G516 PolarHBondContact NE2-O 3.43Å; G516-R518 PolarHBondContact O-N 3.21Å; G516-C519 PolarHBondContact O-SG 3.14Å
517	T	96.1	Very high	96.5	Very high	29 Å²	29	20.1 Å²	20.1	18%	0.178	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	1.3	179.6	61.8	0	0	0	0	114.5	H445 H500 T515 C519	H445-T517 PolarHBondContact CE1-OG1 2.86Å; H500-T517 HydrophobicContact CB-CG2 4.1Å; T515-T517 PolarHBondContact O-N 3.14Å; T517-C519 PolarHBondContact O-N 3.02Å
518	R	95.8	Very high	96.5	Very high	61 Å²	61	20.1 Å²	20.1	23%	0.23	10%	0.098	C	C	.	.			trans	-79.5	62.3	172.2	-63.2	-176.6	164.2	-86.7	-4.5	111.1	C101 D105 Q512 H513 V514 T515 G516	C101-R518 PolarHBondContact SG-NH2 2.81Å; D105-R518 VanDerWaalsContact CG-NH2 3.33Å; D105-R518 IonicContact OD1-NH2 3.54Å; D105-R518 PolarHBondContact OD1-NH2 2.8Å; D105-R518 IonicContact OD2-CZ 2.79Å; D105-R518 IonicContact OD2-NH2 2.75Å; D105-R518 PolarHBondContact OD2-NH2 3.11Å; Q512-R518 WeakPolarHBondContact O-CD 3.27Å; H513-R518 VanDerWaalsContact O-CB 3.3Å; H513-R518 WeakPolarHBondContact O-CB 3.29Å; V514-R518 CarbonylContact C-O 3.53Å; V514-R518 VanDerWaalsContact CA-O 3.31Å; V514-R518 WeakPolarHBondContact CA-O 3.19Å; T515-R518 VanDerWaalsContact O-CB 3.31Å; T515-R518 WeakPolarHBondContact O-CB 3.22Å; T515-R518 PolarHBondContact O-N 3.15Å; G516-R518 PolarHBondContact O-N 3.21Å
519	C	95.6	Very high	96.6	Very high	34 Å²	34	16.7 Å²	16.7	23%	0.23	9%	0.086	C	C	.	.	S	Bend	trans	-142.5	-173.1	178	53.4	0	0	0	0	109.9	G516 T517 L523	G516-C519 PolarHBondContact O-SG 3.14Å; T517-C519 PolarHBondContact O-N 3.02Å; C519-L523 HydrophobicContact CB-CB 4.45Å; C519-L523 HydrophobicContact CB-CD2 4.01Å; C519-L523 HydrophobicContact CB-CG 4.42Å
520	S	94.7	Very high	96.6	Very high	25 Å²	25	16.7 Å²	16.7	18%	0.175	9%	0.086	C	C	.	.			trans	-59.6	147.8	174.5	55.4	0	0	0	0	111	D522 L523 A524 P701	S520-D522 VanDerWaalsContact C-N 3.28Å; S520-D522 VanDerWaalsContact CB-OD1 3.22Å; S520-D522 WeakPolarHBondContact CB-OD1 3.33Å; S520-D522 PolarHBondContact O-N 3.27Å; S520-D522 PolarHBondContact OG-OD1 3.14Å; S520-L523 PolarHBondContact O-N 3.19Å; S520-A524 PolarHBondContact O-N 3.42Å; S520-P701 WeakPolarHBondContact OG-CG 3.38Å
521	T	94.3	Very high	96.7	Very high	32 Å²	32	13.5 Å²	13.5	20%	0.196	7%	0.074	C	C	.	.	H	α-helix	trans	-54.7	-43	-176	-55.2	0	0	0	0	112.3	L523 A524 E525 Y653 A659	T521-L523 PolarHBondContact O-N 3.5Å; T521-A524 PolarHBondContact O-N 3.24Å; T521-E525 HydrophobicContact CG2-CG 4.1Å; T521-E525 WeakPolarHBondContact O-CB 3.46Å; T521-E525 WeakPolarHBondContact O-CG 3.48Å; T521-E525 PolarHBondContact O-N 3.45Å; T521-Y653 HydrophobicContact CG2-CD1 4.01Å; T521-Y653 HydrophobicContact CG2-CE1 3.79Å; T521-A659 HydrophobicContact CG2-CB 3.93Å
522	D	95	Very high	96.6	Very high	2 Å²	2	16 Å²	16	1%	0.011	9%	0.086	C	C	.	.	H	α-helix	trans	-59.2	-42.4	177.1	40.8	42.2	0	0	0	113.3	S293 L294 S520 L526 A659 A663	S293-D522 VanDerWaalsContact CB-OD2 3.3Å; S293-D522 WeakPolarHBondContact CB-OD2 3.42Å; L294-D522 HydrophobicContact CB-CB 3.97Å; L294-D522 VanDerWaalsContact CB-OD2 3.28Å; L294-D522 WeakPolarHBondContact CB-OD2 3.32Å; L294-D522 HydrophobicContact CD2-CB 4.46Å; L294-D522 VanDerWaalsContact N-CG 3.29Å; L294-D522 PolarHBondContact N-OD1 2.9Å; L294-D522 PolarHBondContact N-OD2 2.8Å; S520-D522 VanDerWaalsContact C-N 3.28Å; S520-D522 VanDerWaalsContact CB-OD1 3.22Å; S520-D522 WeakPolarHBondContact CB-OD1 3.33Å; S520-D522 PolarHBondContact O-N 3.27Å; S520-D522 PolarHBondContact OG-OD1 3.14Å; D522-L526 PolarHBondContact O-N 2.94Å; D522-A659 HydrophobicContact CB-CB 3.99Å; D522-A663 VanDerWaalsContact O-CB 3.25Å; D522-A663 WeakPolarHBondContact O-CB 3.47Å
523	L	96.7	Very high	96.5	Very high	5 Å²	5	18 Å²	18	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-72.4	-35.5	177.1	-174.9	58.3	0	0	0	111.9	C519 S520 T521 L526 P527 L692 G696 P701 L704	C519-L523 HydrophobicContact CB-CB 4.45Å; C519-L523 HydrophobicContact CB-CD2 4.01Å; C519-L523 HydrophobicContact CB-CG 4.42Å; S520-L523 PolarHBondContact O-N 3.19Å; T521-L523 PolarHBondContact O-N 3.5Å; L523-L526 PolarHBondContact O-N 3.42Å; L523-P527 WeakPolarHBondContact O-CD 3.43Å; L523-L692 HydrophobicContact CD1-CD1 4.41Å; L523-L692 HydrophobicContact CD1-CD2 4.16Å; L523-L692 HydrophobicContact CD1-CG 4.32Å; L523-G696 WeakPolarHBondContact CD2-O 3.23Å; L523-P701 HydrophobicContact CB-CB 4.18Å; L523-P701 HydrophobicContact CB-CG 4.23Å; L523-P701 HydrophobicContact CD2-CB 4.16Å; L523-P701 HydrophobicContact CD2-CG 4.06Å; L523-L704 HydrophobicContact CD2-CD1 3.92Å
524	A	96.8	Very high	96.6	Very high	11 Å²	11	16.8 Å²	16.8	9%	0.091	9%	0.09	C	C	.	.	H	α-helix	trans	-66.9	-36.7	178.1	0	0	0	0	0	112.3	H500 S520 T521	H500-A524 PolarHBondContact CE1-O 2.82Å; H500-A524 PolarHBondContact ND1-O 3.4Å; H500-A524 VanDerWaalsContact ND1-O 3.11Å; S520-A524 PolarHBondContact O-N 3.42Å; T521-A524 PolarHBondContact O-N 3.24Å
525	E	97.2	Very high	96.4	Very high	22 Å²	22	16.7 Å²	16.7	10%	0.103	9%	0.089	C	C	.	.	H	α-helix	trans	-81.2	-19.6	179.7	-66.5	-65.4	149.7	0	0	113.5	H496 T521 S528 T529 Y660 A663	H496-E525 IonicContact CE1-OE2 2.69Å; H496-E525 IonicContact NE2-OE2 3.79Å; T521-E525 HydrophobicContact CG2-CG 4.1Å; T521-E525 WeakPolarHBondContact O-CB 3.46Å; T521-E525 WeakPolarHBondContact O-CG 3.48Å; T521-E525 PolarHBondContact O-N 3.45Å; E525-S528 PolarHBondContact O-OG 2.73Å; E525-T529 WeakPolarHBondContact O-CB 3.36Å; E525-T529 PolarHBondContact O-N 2.69Å; E525-T529 PolarHBondContact O-OG1 2.9Å; E525-Y660 HydrophobicContact CG-CD1 4.09Å; E525-Y660 HydrophobicContact CG-CE1 4.02Å; E525-A663 HydrophobicContact CB-CB 3.49Å; E525-A663 VanDerWaalsContact CB-CB 3.49Å
526	L	97.5	Very high	96.1	Very high	2 Å²	2	17 Å²	17	1%	0.01	9%	0.091	C	C	.	.	H	α-helix	trans	-62.8	-49.1	-177.2	178.9	161.7	0	0	0	112.2	D522 L523 S528 L530 A663 A667 Y688 L692 L705	D522-L526 PolarHBondContact O-N 2.94Å; L523-L526 PolarHBondContact O-N 3.42Å; L526-S528 PolarHBondContact O-N 3.21Å; L526-L530 WeakPolarHBondContact O-CB 3.23Å; L526-L530 PolarHBondContact O-N 3.44Å; L526-A663 HydrophobicContact CB-CB 4.46Å; L526-A667 HydrophobicContact CG-CB 4.45Å; L526-Y688 HydrophobicContact CD2-CE2 4.27Å; L526-L692 HydrophobicContact CD1-CD1 4.44Å; L526-L692 HydrophobicContact CD2-CD1 4.13Å; L526-L692 HydrophobicContact CD2-CD2 4.38Å; L526-L705 HydrophobicContact CD1-CD1 3.98Å; L526-L705 HydrophobicContact CD1-CD2 4.23Å
527	P	98	Very high	95.9	Very high	4 Å²	4	17.8 Å²	17.8	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-63.7	-37.3	178.4	-26.9	37.4	0	0	0	114.5	H503 L523 F531 Y688 L692 L693	H503-P527 HydrophobicContact CB-CB 4.08Å; H503-P527 HydrophobicContact CB-CG 4.17Å; L523-P527 WeakPolarHBondContact O-CD 3.43Å; P527-F531 PolarHBondContact O-N 3.28Å; P527-F531 VanDerWaalsContact O-N 3.09Å; P527-Y688 WeakPolarHBondContact CA-OH 3.47Å; P527-Y688 WeakPolarHBondContact CB-OH 3.37Å; P527-L692 HydrophobicContact CG-CD2 4.34Å; P527-L693 HydrophobicContact CB-CD2 3.82Å; P527-L693 HydrophobicContact CG-CD2 3.55Å
528	S	97.6	Very high	95.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-68	-47.5	177.7	55.5	0	0	0	0	111.4	H496 H500 E525 L526 L530 F531 E532	H496-S528 VanDerWaalsContact CE1-CB 3.49Å; H496-S528 WeakPolarHBondContact CE1-CB 3.47Å; H496-S528 PolarHBondContact CE1-OG 3.23Å; H496-S528 PolarHBondContact NE2-OG 2.86Å; H496-S528 WeakPolarHBondContact O-CB 3.43Å; H500-S528 VanDerWaalsContact CE1-CB 3.47Å; H500-S528 WeakPolarHBondContact CE1-CB 3.29Å; H500-S528 PolarHBondContact CE1-OG 3.43Å; H500-S528 WeakPolarHBondContact NE2-CB 3.4Å; H500-S528 PolarHBondContact NE2-OG 3.35Å; E525-S528 PolarHBondContact O-OG 2.73Å; L526-S528 PolarHBondContact O-N 3.21Å; S528-L530 VanDerWaalsContact C-N 3.29Å; S528-L530 PolarHBondContact O-N 2.67Å; S528-F531 PolarHBondContact O-N 3.34Å; S528-E532 PolarHBondContact O-N 2.9Å
529	T	96.6	Very high	95.8	Very high	11 Å²	11	19.5 Å²	19.5	7%	0.067	10%	0.102	C	C	.	.	H	α-helix	trans	-61.9	-37.1	175.8	-51.8	0	0	0	0	112.1	E525 F531 E532 K664 A667	E525-T529 WeakPolarHBondContact O-CB 3.36Å; E525-T529 PolarHBondContact O-N 2.69Å; E525-T529 PolarHBondContact O-OG1 2.9Å; T529-F531 VanDerWaalsContact C-N 3.3Å; T529-F531 PolarHBondContact O-N 3.35Å; T529-E532 WeakPolarHBondContact O-CB 3.41Å; T529-E532 PolarHBondContact O-N 3.5Å; T529-K664 HydrophobicContact CG2-CB 3.98Å; T529-K664 HydrophobicContact CG2-CG 3.92Å; T529-A667 HydrophobicContact CG2-CB 3.95Å
530	L	97.6	Very high	95.8	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-63.2	-40	174.4	178.9	68.8	0	0	0	111.2	L526 S528 E532 H533 F534 A667 V670 W671 F675 Y688	L526-L530 WeakPolarHBondContact O-CB 3.23Å; L526-L530 PolarHBondContact O-N 3.44Å; S528-L530 VanDerWaalsContact C-N 3.29Å; S528-L530 PolarHBondContact O-N 2.67Å; L530-E532 VanDerWaalsContact C-N 3.28Å; L530-E532 PolarHBondContact O-N 3.29Å; L530-H533 PolarHBondContact O-N 2.88Å; L530-F534 HydrophobicContact CG-CE2 4.21Å; L530-F534 WeakPolarHBondContact O-CD2 3.48Å; L530-A667 HydrophobicContact CB-CB 3.97Å; L530-A667 WeakPolarHBondContact CD1-O 3.38Å; L530-V670 HydrophobicContact CD1-CB 4.21Å; L530-V670 HydrophobicContact CD1-CG1 4Å; L530-V670 HydrophobicContact CD2-CG1 3.76Å; L530-W671 HydrophobicContact CD1-CB 3.83Å; L530-W671 HydrophobicContact CD1-CE3 4.4Å; L530-F675 HydrophobicContact CD1-CD2 4.36Å; L530-F675 HydrophobicContact CD2-CE2 4.2Å; L530-Y688 HydrophobicContact CD2-CD1 4.07Å; L530-Y688 HydrophobicContact CD2-CE1 3.43Å; L530-Y688 VanDerWaalsContact CD2-CE1 3.43Å; L530-Y688 HydrophobicContact CD2-CE2 4.01Å; L530-Y688 VanDerWaalsContact CD2-CZ 3.4Å
531	F	97.9	Very high	95.8	Very high	6 Å²	6	16.8 Å²	16.8	3%	0.026	8%	0.083	C	C	.	.	H	α-helix	trans	-69.6	-25.2	-176	-131.6	-112.5	0	0	0	113.3	L386 L390 F391 F495 L502 P527 S528 T529 H533 F534	L386-F531 HydrophobicContact CB-CZ 3.9Å; L386-F531 HydrophobicContact CD1-CE1 4.11Å; L386-F531 HydrophobicContact CD1-CZ 4.04Å; L390-F531 HydrophobicContact CD1-CE2 4.49Å; F391-F531 HydrophobicContact CE2-CE2 4.26Å; F495-F531 HydrophobicContact CB-CD1 4.18Å; F495-F531 AromaticContact CD1-CD1 3.94Å; F495-F531 HydrophobicContact CD1-CD1 3.94Å; F495-F531 HydrophobicContact CD1-CE1 4.14Å; F495-F531 HydrophobicContact CG-CD1 4.42Å; F495-F531 WeakPolarHBondContact O-CD1 3.38Å; L502-F531 HydrophobicContact CD1-CD1 4.48Å; L502-F531 HydrophobicContact CD1-CD2 4.4Å; L502-F531 HydrophobicContact CD1-CE1 3.75Å; L502-F531 HydrophobicContact CD1-CE2 3.67Å; L502-F531 HydrophobicContact CD1-CZ 3.29Å; P527-F531 PolarHBondContact O-N 3.28Å; P527-F531 VanDerWaalsContact O-N 3.09Å; S528-F531 PolarHBondContact O-N 3.34Å; T529-F531 VanDerWaalsContact C-N 3.3Å; T529-F531 PolarHBondContact O-N 3.35Å; F531-H533 VanDerWaalsContact C-N 3.25Å; F531-H533 PolarHBondContact O-N 3.3Å; F531-F534 HydrophobicContact CD2-CD2 4.11Å; F531-F534 HydrophobicContact CD2-CE2 4.22Å; F531-F534 HydrophobicContact CE2-CD2 4.49Å; F531-F534 HydrophobicContact CG-CD2 4.47Å; F531-F534 PolarHBondContact O-N 3.39Å
532	E	96.2	Very high	95.8	Very high	57 Å²	57	16.9 Å²	16.9	27%	0.266	9%	0.085	S	C	.	.	H	α-helix	trans	-56.7	-36.5	171.8	-67.8	171.5	-152.7	0	0	112.5	H496 S528 T529 L530 F534 A535	H496-E532 HydrophobicContact CB-CG 4.04Å; H496-E532 IonicContact CE1-OE1 3.56Å; H496-E532 IonicContact CG-OE1 3.57Å; H496-E532 IonicContact ND1-OE1 3.29Å; H496-E532 PolarHBondContact ND1-OE1 3.36Å; S528-E532 PolarHBondContact O-N 2.9Å; T529-E532 WeakPolarHBondContact O-CB 3.41Å; T529-E532 PolarHBondContact O-N 3.5Å; L530-E532 VanDerWaalsContact C-N 3.28Å; L530-E532 PolarHBondContact O-N 3.29Å; E532-F534 PolarHBondContact O-N 3.39Å; E532-A535 WeakPolarHBondContact O-CB 3.44Å; E532-A535 PolarHBondContact O-N 3.01Å
533	H	95	Very high	95.8	Very high	43 Å²	43	21.5 Å²	21.5	20%	0.199	11%	0.107	C	C	.	.	H	α-helix	trans	-61.1	-32.8	179.4	-72.2	-65.2	0	0	0	112.7	L530 F531 N668 W671 Q734	L530-H533 PolarHBondContact O-N 2.88Å; F531-H533 VanDerWaalsContact C-N 3.25Å; F531-H533 PolarHBondContact O-N 3.3Å; H533-N668 PolarHBondContact CE1-OD1 3.03Å; H533-N668 PolarHBondContact NE2-OD1 3.31Å; H533-W671 HydrophobicContact CB-CD2 3.46Å; H533-W671 VanDerWaalsContact CB-CD2 3.46Å; H533-W671 HydrophobicContact CB-CE3 3.29Å; H533-W671 HydrophobicContact CB-CG 4.16Å; H533-W671 HydrophobicContact CB-CH2 3.73Å; H533-W671 HydrophobicContact CB-CZ2 3.89Å; H533-W671 HydrophobicContact CB-CZ3 3.42Å; H533-W671 VanDerWaalsContact CB-CZ3 3.42Å; H533-W671 AromaticContact CD2-CG 3.94Å; H533-W671 AromaticContact CG-CD2 3.7Å; H533-W671 AromaticContact CG-CE3 3.95Å; H533-W671 AromaticContact CG-CG 3.85Å; H533-Q734 PolarHBondContact CE1-NE2 3.47Å
534	F	97.5	Very high	95.7	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.009	11%	0.106	C	C	.	.	H	α-helix	trans	-76.3	-26.2	178	-58.1	-95.2	0	0	0	112.4	L386 L390 F495 L530 F531 E532 L536 D537 V540 W671 F675 P679	L386-F534 HydrophobicContact CD1-CB 3.63Å; L386-F534 HydrophobicContact CD1-CD1 4.39Å; L386-F534 HydrophobicContact CD1-CG 4.17Å; L386-F534 HydrophobicContact CD2-CB 4.34Å; L386-F534 HydrophobicContact CD2-CD1 3.63Å; L386-F534 HydrophobicContact CD2-CE1 4.29Å; L386-F534 HydrophobicContact CD2-CG 4.24Å; L390-F534 HydrophobicContact CD1-CE1 3.83Å; L390-F534 HydrophobicContact CD1-CZ 3.91Å; F495-F534 HydrophobicContact CD1-CB 4.46Å; L530-F534 HydrophobicContact CG-CE2 4.21Å; L530-F534 WeakPolarHBondContact O-CD2 3.48Å; F531-F534 HydrophobicContact CD2-CD2 4.11Å; F531-F534 HydrophobicContact CD2-CE2 4.22Å; F531-F534 HydrophobicContact CE2-CD2 4.49Å; F531-F534 HydrophobicContact CG-CD2 4.47Å; F531-F534 PolarHBondContact O-N 3.39Å; E532-F534 PolarHBondContact O-N 3.39Å; F534-L536 VanDerWaalsContact C-N 3.28Å; F534-L536 PolarHBondContact O-N 3.03Å; F534-D537 PolarHBondContact O-N 3.29Å; F534-V540 HydrophobicContact CD1-CG2 4.49Å; F534-V540 WeakPolarHBondContact O-CB 3.38Å; F534-V540 WeakPolarHBondContact O-CG1 3.31Å; F534-W671 HydrophobicContact CD1-CH2 4.28Å; F534-W671 AromaticContact CD1-CZ3 3.73Å; F534-W671 HydrophobicContact CD1-CZ3 3.73Å; F534-W671 HydrophobicContact CD2-CE3 4.41Å; F534-W671 AromaticContact CD2-CZ3 3.78Å; F534-W671 HydrophobicContact CD2-CZ3 3.78Å; F534-W671 HydrophobicContact CE1-CE3 4.47Å; F534-W671 HydrophobicContact CE1-CH2 4.46Å; F534-W671 AromaticContact CE1-CZ3 3.64Å; F534-W671 HydrophobicContact CE1-CZ3 3.64Å; F534-W671 HydrophobicContact CE2-CE3 4.04Å; F534-W671 AromaticContact CE2-CZ3 3.72Å; F534-W671 HydrophobicContact CE2-CZ3 3.72Å; F534-W671 HydrophobicContact CG-CH2 4.44Å; F534-W671 AromaticContact CG-CZ3 3.81Å; F534-W671 HydrophobicContact CG-CZ3 3.81Å; F534-W671 HydrophobicContact CZ-CE3 4.08Å; F534-W671 AromaticContact CZ-CZ3 3.65Å; F534-W671 HydrophobicContact CZ-CZ3 3.65Å; F534-F675 HydrophobicContact CE1-CB 4.24Å; F534-F675 HydrophobicContact CE1-CD1 4.07Å; F534-F675 HydrophobicContact CE1-CG 4.13Å; F534-F675 HydrophobicContact CZ-CB 4.07Å; F534-F675 AromaticContact CZ-CD1 3.87Å; F534-F675 HydrophobicContact CZ-CD1 3.87Å; F534-F675 AromaticContact CZ-CD2 3.96Å; F534-F675 HydrophobicContact CZ-CD2 3.96Å; F534-F675 HydrophobicContact CZ-CE1 4.31Å; F534-F675 HydrophobicContact CZ-CE2 4.39Å; F534-F675 AromaticContact CZ-CG 3.68Å; F534-F675 HydrophobicContact CZ-CG 3.68Å; F534-P679 HydrophobicContact CD1-CB 3.94Å; F534-P679 HydrophobicContact CE1-CB 4.05Å; F534-P679 VanDerWaalsContact CE1-O 3.29Å; F534-P679 WeakPolarHBondContact CE1-O 3.45Å
535	A	94.4	Very high	95.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-57.4	-41.9	-171.2	0	0	0	0	0	112.5	V491 E492 F495 E532 V541 Y544	V491-A535 HydrophobicContact CG1-CB 4.32Å; E492-A535 HydrophobicContact CG-CB 4.45Å; F495-A535 HydrophobicContact CB-CB 3.68Å; F495-A535 HydrophobicContact CD1-CB 3.75Å; F495-A535 HydrophobicContact CD2-CB 3.93Å; F495-A535 HydrophobicContact CE1-CB 4.32Å; F495-A535 HydrophobicContact CE2-CB 4.49Å; F495-A535 HydrophobicContact CG-CB 3.51Å; E532-A535 WeakPolarHBondContact O-CB 3.44Å; E532-A535 PolarHBondContact O-N 3.01Å; A535-V541 WeakPolarHBondContact O-CG2 3.42Å; A535-Y544 PolarHBondContact O-OH 2.98Å
536	L	90.1	Very high	95.4	Very high	10 Å²	10	22.8 Å²	22.8	5%	0.052	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	12	-174.3	-57.3	179.5	0	0	0	113.7	I488 V491 E492 F534 P538 S566 L569	I488-L536 HydrophobicContact CD1-CD2 4.44Å; I488-L536 HydrophobicContact CG2-CD1 3.43Å; I488-L536 VanDerWaalsContact CG2-CD1 3.43Å; I488-L536 HydrophobicContact CG2-CD2 3.97Å; I488-L536 HydrophobicContact CG2-CG 4.35Å; V491-L536 HydrophobicContact CB-CD2 4.4Å; V491-L536 HydrophobicContact CG1-CD2 4.21Å; E492-L536 HydrophobicContact CG-CD1 3.66Å; E492-L536 HydrophobicContact CG-CG 4.02Å; E492-L536 WeakPolarHBondContact OE1-CD1 3.38Å; F534-L536 VanDerWaalsContact C-N 3.28Å; F534-L536 PolarHBondContact O-N 3.03Å; L536-P538 WeakPolarHBondContact O-CD 3.49Å; L536-S566 PolarHBondContact O-OG 3.25Å; L536-L569 HydrophobicContact CD1-CD1 3.63Å
537	D	94	Very high	95.2	Very high	16 Å²	16	24.4 Å²	24.4	9%	0.086	12%	0.115	C	C	.	.			trans	-66.4	121	172.8	-171.5	-61.3	0	0	0	109.3	F534 R539 V540 V541	F534-D537 PolarHBondContact O-N 3.29Å; D537-R539 PolarHBondContact O-N 3.13Å; D537-R539 WeakPolarHBondContact OD1-CB 3.36Å; D537-R539 WeakPolarHBondContact OD1-CG 3.16Å; D537-R539 IonicContact OD1-CZ 3.22Å; D537-R539 PolarHBondContact OD1-N 3.42Å; D537-R539 IonicContact OD1-NE 2.69Å; D537-R539 PolarHBondContact OD1-NE 2.83Å; D537-R539 IonicContact OD1-NH2 2.83Å; D537-R539 IonicContact OD2-CZ 3.93Å; D537-R539 IonicContact OD2-NE 3.79Å; D537-R539 PolarHBondContact OD2-NE 3.31Å; D537-R539 IonicContact OD2-NH2 3.19Å; D537-R539 PolarHBondContact OD2-NH2 2.88Å; D537-V540 HydrophobicContact CB-CB 4.17Å; D537-V540 HydrophobicContact CB-CG2 3.87Å; D537-V540 WeakPolarHBondContact O-CA 3.17Å; D537-V540 PolarHBondContact O-N 2.96Å; D537-V541 WeakPolarHBondContact O-CG2 3.42Å; D537-V541 PolarHBondContact O-N 2.79Å
538	P	93.5	Very high	94.9	Very high	30 Å²	30	27 Å²	27	20%	0.195	12%	0.124	C	C	.	.	H	α-helix	trans	-56	-29.1	-176.5	-27.7	35.9	0	0	0	114.4	L536 V540 S542 I559 L562 Q563	L536-P538 WeakPolarHBondContact O-CD 3.49Å; P538-V540 VanDerWaalsContact C-N 3.33Å; P538-S542 VanDerWaalsContact O-CB 3.3Å; P538-S542 WeakPolarHBondContact O-CB 3.27Å; P538-S542 PolarHBondContact O-N 2.99Å; P538-S542 PolarHBondContact O-OG 3.49Å; P538-I559 HydrophobicContact CB-CG2 4.44Å; P538-L562 HydrophobicContact CB-CD2 4.23Å; P538-L562 HydrophobicContact CG-CD2 4.44Å; P538-Q563 HydrophobicContact CG-CB 4.05Å; P538-Q563 HydrophobicContact CG-CG 4.34Å
539	R	94.8	Very high	94.5	Very high	96 Å²	96	33.9 Å²	33.9	36%	0.362	15%	0.154	S	C	.	.	H	α-helix	trans	-74.4	-24.5	177.7	-54.8	167	-72.7	-172	-2.6	112.4	D537 S542 S676 K677 P679 W680	D537-R539 PolarHBondContact O-N 3.13Å; D537-R539 WeakPolarHBondContact OD1-CB 3.36Å; D537-R539 WeakPolarHBondContact OD1-CG 3.16Å; D537-R539 IonicContact OD1-CZ 3.22Å; D537-R539 PolarHBondContact OD1-N 3.42Å; D537-R539 IonicContact OD1-NE 2.69Å; D537-R539 PolarHBondContact OD1-NE 2.83Å; D537-R539 IonicContact OD1-NH2 2.83Å; D537-R539 IonicContact OD2-CZ 3.93Å; D537-R539 IonicContact OD2-NE 3.79Å; D537-R539 PolarHBondContact OD2-NE 3.31Å; D537-R539 IonicContact OD2-NH2 3.19Å; D537-R539 PolarHBondContact OD2-NH2 2.88Å; R539-S542 PolarHBondContact O-OG 3.27Å; R539-S676 PolarHBondContact NH1-O 3.18Å; R539-S676 PolarHBondContact NH2-O 3.24Å; R539-K677 PolarHBondContact NH1-O 2.78Å; R539-P679 HydrophobicContact CB-CG 4.18Å; R539-W680 PolarHBondContact O-NE1 3.35Å; R539-W680 VanDerWaalsContact O-NE1 3.14Å
540	V	96.6	Very high	94.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-87.1	-47.9	175.1	-179.2	0	0	0	0	109.4	L386 F534 D537 P538 S542 E543 Y544 P679 W680	L386-V540 HydrophobicContact CD1-CG1 4.06Å; L386-V540 HydrophobicContact CD2-CG1 4.18Å; L386-V540 HydrophobicContact CD2-CG2 4.45Å; L386-V540 HydrophobicContact CG-CG1 4.26Å; F534-V540 HydrophobicContact CD1-CG2 4.49Å; F534-V540 WeakPolarHBondContact O-CB 3.38Å; F534-V540 WeakPolarHBondContact O-CG1 3.31Å; D537-V540 HydrophobicContact CB-CB 4.17Å; D537-V540 HydrophobicContact CB-CG2 3.87Å; D537-V540 WeakPolarHBondContact O-CA 3.17Å; D537-V540 PolarHBondContact O-N 2.96Å; P538-V540 VanDerWaalsContact C-N 3.33Å; V540-S542 VanDerWaalsContact C-N 3.28Å; V540-S542 PolarHBondContact O-N 3.21Å; V540-E543 WeakPolarHBondContact O-CB 3.31Å; V540-E543 PolarHBondContact O-N 2.88Å; V540-Y544 HydrophobicContact CG1-CD1 4.03Å; V540-Y544 HydrophobicContact CG1-CE1 3.94Å; V540-Y544 VanDerWaalsContact O-CD1 3.23Å; V540-Y544 WeakPolarHBondContact O-CD1 3.48Å; V540-P679 HydrophobicContact CG2-CB 3.79Å; V540-P679 HydrophobicContact CG2-CG 3.77Å; V540-W680 HydrophobicContact CB-CZ2 4.12Å; V540-W680 HydrophobicContact CG1-CH2 4.14Å; V540-W680 HydrophobicContact CG1-CZ2 3.82Å; V540-W680 HydrophobicContact CG2-CZ2 4.17Å
541	V	95.1	Very high	93.9	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.012	18%	0.183	C	C	.	.	H	α-helix	trans	-60.8	-35.6	-179.5	-180	0	0	0	0	112.1	F374 A535 D537 E543 Y544 A545 L562	F374-V541 HydrophobicContact CE1-CG1 3.73Å; F374-V541 HydrophobicContact CE1-CG2 4.41Å; F374-V541 HydrophobicContact CZ-CG1 3.78Å; A535-V541 WeakPolarHBondContact O-CG2 3.42Å; D537-V541 WeakPolarHBondContact O-CG2 3.42Å; D537-V541 PolarHBondContact O-N 2.79Å; V541-E543 PolarHBondContact O-N 2.91Å; V541-Y544 HydrophobicContact CB-CE1 4.28Å; V541-Y544 HydrophobicContact CG2-CE1 3.99Å; V541-Y544 PolarHBondContact O-N 3.25Å; V541-A545 HydrophobicContact CG1-CB 3.61Å; V541-A545 WeakPolarHBondContact O-CB 3.43Å; V541-A545 PolarHBondContact O-N 3.04Å; V541-L562 HydrophobicContact CB-CD2 3.46Å; V541-L562 VanDerWaalsContact CB-CD2 3.46Å; V541-L562 HydrophobicContact CG1-CD2 3.4Å; V541-L562 HydrophobicContact CG2-CD2 3.84Å
542	S	94	Very high	93.7	Very high	34 Å²	34	43.7 Å²	43.7	24%	0.238	21%	0.211	C	C	.	.	H	α-helix	trans	-58.6	-28	176.2	59.7	0	0	0	0	113.8	P538 R539 V540	P538-S542 VanDerWaalsContact O-CB 3.3Å; P538-S542 WeakPolarHBondContact O-CB 3.27Å; P538-S542 PolarHBondContact O-N 2.99Å; P538-S542 PolarHBondContact O-OG 3.49Å; R539-S542 PolarHBondContact O-OG 3.27Å; V540-S542 VanDerWaalsContact C-N 3.28Å; V540-S542 PolarHBondContact O-N 3.21Å
543	E	94	Very high	93.5	Very high	99 Å²	99	47.8 Å²	47.8	46%	0.463	23%	0.228	S	C	.	.	H	α-helix	trans	-82.9	-44.8	-177.4	-64.5	-53.1	128.2	0	0	112.2	V540 V541 R546 W680	V540-E543 WeakPolarHBondContact O-CB 3.31Å; V540-E543 PolarHBondContact O-N 2.88Å; V541-E543 PolarHBondContact O-N 2.91Å; E543-R546 VanDerWaalsContact O-CZ 3.24Å; E543-R546 PolarHBondContact O-NH1 3.26Å; E543-R546 PolarHBondContact O-NH2 3.34Å; E543-W680 HydrophobicContact CB-CZ2 3.99Å; E543-W680 HydrophobicContact CG-CZ2 3.91Å
544	Y	94.3	Very high	93.4	Very high	3 Å²	3	46.4 Å²	46.4	1%	0.012	22%	0.222	C	C	.	.	H	α-helix	trans	-97.8	-31.6	-172.5	76	-105.3	0	0	0	114.8	F374 A378 G382 F495 A535 V540 V541	F374-Y544 HydrophobicContact CD1-CE2 4.17Å; F374-Y544 HydrophobicContact CE1-CE2 4.13Å; F374-Y544 WeakPolarHBondContact CE1-OH 3.27Å; A378-Y544 WeakPolarHBondContact O-CD2 3.28Å; G382-Y544 VanDerWaalsContact CA-CG 3.45Å; F495-Y544 HydrophobicContact CZ-CE1 4.03Å; A535-Y544 PolarHBondContact O-OH 2.98Å; V540-Y544 HydrophobicContact CG1-CD1 4.03Å; V540-Y544 HydrophobicContact CG1-CE1 3.94Å; V540-Y544 VanDerWaalsContact O-CD1 3.23Å; V540-Y544 WeakPolarHBondContact O-CD1 3.48Å; V541-Y544 HydrophobicContact CB-CE1 4.28Å; V541-Y544 HydrophobicContact CG2-CE1 3.99Å; V541-Y544 PolarHBondContact O-N 3.25Å
545	A	94.5	Very high	93.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.238	C	C	.	.			trans	-71.2	137.2	-169.6	0	0	0	0	0	111.4	F374 V541 P554	F374-A545 HydrophobicContact CE1-CB 4.41Å; V541-A545 HydrophobicContact CG1-CB 3.61Å; V541-A545 WeakPolarHBondContact O-CB 3.43Å; V541-A545 PolarHBondContact O-N 3.04Å; A545-P554 HydrophobicContact CB-CG 4.08Å; A545-P554 VanDerWaalsContact O-CD 3.3Å; A545-P554 WeakPolarHBondContact O-CD 3.28Å
546	R	94.5	Very high	93	Very high	63 Å²	63	54 Å²	54	24%	0.238	27%	0.268	C	S	.	.			trans	-144.9	130.9	-176.9	-64.3	-67	-176.8	-78.5	-8	109.2	L25 Y373 E543 W548 G551 Q552	L25-R546 HydrophobicContact CD2-CB 4.01Å; L25-R546 HydrophobicContact CD2-CG 3.69Å; Y373-R546 WeakPolarHBondContact CA-O 3.24Å; Y373-R546 PolarHBondContact O-N 3.48Å; E543-R546 VanDerWaalsContact O-CZ 3.24Å; E543-R546 PolarHBondContact O-NH1 3.26Å; E543-R546 PolarHBondContact O-NH2 3.34Å; R546-W548 PolarHBondContact O-N 2.76Å; R546-G551 WeakPolarHBondContact CD-O 3.38Å; R546-Q552 WeakPolarHBondContact CA-O 3.48Å
547	H	93.6	Very high	93.1	Very high	35 Å²	35	59 Å²	59	16%	0.162	30%	0.295	C	S	.	.			trans	-59.3	122.2	175.7	-174.8	-51.6	0	0	0	109.2	D372 Y373 K549 T550 G551 Q552	D372-H547 CarbonylContact O-C 3.48Å; D372-H547 WeakPolarHBondContact O-CA 3.3Å; Y373-H547 HydrophobicContact CD1-CB 3.88Å; Y373-H547 HydrophobicContact CE1-CB 3.63Å; H547-K549 VanDerWaalsContact C-N 3.28Å; H547-K549 PolarHBondContact ND1-N 3.48Å; H547-K549 VanDerWaalsContact ND1-N 3.13Å; H547-K549 PolarHBondContact O-N 3Å; H547-K549 VanDerWaalsContact O-N 3.15Å; H547-T550 WeakPolarHBondContact CB-OG1 3.3Å; H547-T550 PolarHBondContact ND1-N 3.36Å; H547-T550 PolarHBondContact O-N 3.34Å; H547-G551 WeakPolarHBondContact O-CA 3.43Å; H547-G551 PolarHBondContact O-N 2.69Å; H547-Q552 PolarHBondContact N-O 3.47Å
548	W	90.4	Very high	92.9	Very high	58 Å²	58	60.4 Å²	60.4	22%	0.22	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-37	-169.6	72	-91.9	0	0	0	113.8	D372 K482 P483 L485 R546	D372-W548 PolarHBondContact O-N 2.85Å; D372-W548 PolarHBondContact OD1-NE1 3.46Å; K482-W548 HydrophobicContact CB-CH2 4.26Å; K482-W548 HydrophobicContact CB-CZ3 4.1Å; K482-W548 HydrophobicContact CG-CE3 4.35Å; K482-W548 HydrophobicContact CG-CH2 4.06Å; K482-W548 HydrophobicContact CG-CZ2 4.23Å; K482-W548 HydrophobicContact CG-CZ3 4.13Å; P483-W548 HydrophobicContact CG-CB 3.71Å; P483-W548 HydrophobicContact CG-CG 4.39Å; L485-W548 HydrophobicContact CD2-CB 4.1Å; L485-W548 HydrophobicContact CD2-CG 4.1Å; R546-W548 PolarHBondContact O-N 2.76Å
549	K	90.2	Very high	92.8	Very high	145 Å²	145	60.7 Å²	60.7	63%	0.63	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.9	-44.9	178.7	-167.5	177.7	-179.7	179.9	0	114.6	H547	H547-K549 VanDerWaalsContact C-N 3.28Å; H547-K549 PolarHBondContact ND1-N 3.48Å; H547-K549 VanDerWaalsContact ND1-N 3.13Å; H547-K549 PolarHBondContact O-N 3Å; H547-K549 VanDerWaalsContact O-N 3.15Å
550	T	91.4	Very high	92.6	Very high	74 Å²	74	58.9 Å²	58.9	45%	0.454	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-21.1	-171.9	66.9	0	0	0	0	113.2	H547 Q552	H547-T550 WeakPolarHBondContact CB-OG1 3.3Å; H547-T550 PolarHBondContact ND1-N 3.36Å; H547-T550 PolarHBondContact O-N 3.34Å; T550-Q552 PolarHBondContact O-N 3.06Å; T550-Q552 WeakPolarHBondContact OG1-CB 3.47Å; T550-Q552 PolarHBondContact OG1-N 3.08Å
551	G	90.3	Very high	92.2	Very high	22 Å²	22	59.6 Å²	59.6	23%	0.227	30%	0.304	C	S	.	.			trans	71.9	5.4	-172.1	0	0	0	0	0	114.4	R546 H547	R546-G551 WeakPolarHBondContact CD-O 3.38Å; H547-G551 WeakPolarHBondContact O-CA 3.43Å; H547-G551 PolarHBondContact O-N 2.69Å
552	Q	92.7	Very high	92	Very high	128 Å²	128	59.7 Å²	59.7	60%	0.598	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-77.3	143.9	-179.7	-67.7	178	-28.5	0	0	110.2	R546 H547 T550	R546-Q552 WeakPolarHBondContact CA-O 3.48Å; H547-Q552 PolarHBondContact N-O 3.47Å; T550-Q552 PolarHBondContact O-N 3.06Å; T550-Q552 WeakPolarHBondContact OG1-CB 3.47Å; T550-Q552 PolarHBondContact OG1-N 3.08Å
553	K	93.1	Very high	91.7	Very high	144 Å²	144	61.9 Å²	61.9	63%	0.626	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-66.1	156.8	166.2	66.6	174.7	-173.7	170.8	0	110.1	D555	K553-D555 PolarHBondContact O-N 3.14Å
554	P	92.7	Very high	91.5	Very high	13 Å²	13	59.6 Å²	59.6	8%	0.084	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-52.5	134.8	171.7	-21.6	29.6	0	0	0	111	Y373 A545 E558 I559	Y373-P554 HydrophobicContact CD1-CB 4.23Å; Y373-P554 HydrophobicContact CD1-CG 3.63Å; Y373-P554 HydrophobicContact CE1-CB 4.1Å; Y373-P554 HydrophobicContact CE1-CG 3.97Å; Y373-P554 HydrophobicContact CG-CG 4.18Å; A545-P554 HydrophobicContact CB-CG 4.08Å; A545-P554 VanDerWaalsContact O-CD 3.3Å; A545-P554 WeakPolarHBondContact O-CD 3.28Å; P554-E558 HydrophobicContact CB-CB 3.86Å; P554-I559 HydrophobicContact CB-CD1 3.73Å; P554-I559 HydrophobicContact CB-CG1 4.04Å; P554-I559 HydrophobicContact CG-CD1 4.16Å
555	D	92.5	Very high	91.1	Very high	64 Å²	64	59.7 Å²	59.7	34%	0.342	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-72.6	169.9	169.6	89.8	10.7	0	0	0	110.7	K553 N557 E558 I559	K553-D555 PolarHBondContact O-N 3.14Å; D555-N557 VanDerWaalsContact C-N 3.26Å; D555-N557 PolarHBondContact O-N 3.24Å; D555-N557 VanDerWaalsContact OD1-CA 3.3Å; D555-N557 WeakPolarHBondContact OD1-CA 3.22Å; D555-N557 VanDerWaalsContact OD1-CB 3.25Å; D555-N557 WeakPolarHBondContact OD1-CB 3.25Å; D555-N557 PolarHBondContact OD1-N 3.35Å; D555-E558 WeakPolarHBondContact CA-OE2 3.3Å; D555-E558 WeakPolarHBondContact CB-OE2 3.22Å; D555-E558 VanDerWaalsContact CG-CD 3.5Å; D555-E558 PolarHBondContact N-OE2 2.95Å; D555-E558 PolarHBondContact O-N 2.79Å; D555-E558 VanDerWaalsContact O-N 3.15Å; D555-E558 PolarHBondContact OD1-N 3.05Å; D555-I559 WeakPolarHBondContact O-CG1 3.2Å; D555-I559 PolarHBondContact O-N 3.33Å
556	P	91.3	Very high	90.8	Very high	98 Å²	98	61.1 Å²	61.1	64%	0.636	31%	0.311	S	S	*	.	H	α-helix	trans	-57.1	-33.2	-179.6	-27.7	36.7	0	0	0	114.9	I560	P556-I560 WeakPolarHBondContact O-CD1 3.16Å; P556-I560 WeakPolarHBondContact O-CG1 3.22Å; P556-I560 PolarHBondContact O-N 2.98Å
557	N	90.6	Very high	90.5	Very high	116 Å²	116	60.6 Å²	60.6	62%	0.62	31%	0.312	S	S	*	.	H	α-helix	trans	-71.4	-37.1	177.7	-58.5	-50.5	0	0	0	111.4	D555 I560 A561	D555-N557 VanDerWaalsContact C-N 3.26Å; D555-N557 PolarHBondContact O-N 3.24Å; D555-N557 VanDerWaalsContact OD1-CA 3.3Å; D555-N557 WeakPolarHBondContact OD1-CA 3.22Å; D555-N557 VanDerWaalsContact OD1-CB 3.25Å; D555-N557 WeakPolarHBondContact OD1-CB 3.25Å; D555-N557 PolarHBondContact OD1-N 3.35Å; N557-I560 PolarHBondContact O-N 3.12Å; N557-A561 WeakPolarHBondContact O-CB 3.47Å; N557-A561 PolarHBondContact O-N 3.27Å
558	E	91.4	Very high	90.2	Very high	44 Å²	44	59 Å²	59	21%	0.206	31%	0.305	C	S	.	.	H	α-helix	trans	-69.8	-36.3	174.4	-70.5	119.5	172	0	0	112.2	L370 Y373 P554 D555 A561 L562	L370-E558 HydrophobicContact CD2-CB 4.26Å; Y373-E558 HydrophobicContact CE2-CB 4.49Å; Y373-E558 HydrophobicContact CE2-CG 3.97Å; Y373-E558 PolarHBondContact OH-OE1 3.46Å; Y373-E558 PolarHBondContact OH-OE2 2.95Å; Y373-E558 VanDerWaalsContact OH-OE2 3.05Å; P554-E558 HydrophobicContact CB-CB 3.86Å; D555-E558 WeakPolarHBondContact CA-OE2 3.3Å; D555-E558 WeakPolarHBondContact CB-OE2 3.22Å; D555-E558 VanDerWaalsContact CG-CD 3.5Å; D555-E558 PolarHBondContact N-OE2 2.95Å; D555-E558 PolarHBondContact O-N 2.79Å; D555-E558 VanDerWaalsContact O-N 3.15Å; D555-E558 PolarHBondContact OD1-N 3.05Å; E558-A561 PolarHBondContact O-N 2.92Å; E558-L562 WeakPolarHBondContact O-CB 3.22Å; E558-L562 PolarHBondContact O-N 3.01Å
559	I	91.2	Very high	90	Very high	37 Å²	37	57.9 Å²	57.9	19%	0.19	30%	0.303	C	S	.	.	H	α-helix	trans	-63.5	-42	170.9	-64.6	-61	0	0	0	111.1	P538 P554 D555 A561 L562 Q563	P538-I559 HydrophobicContact CB-CG2 4.44Å; P554-I559 HydrophobicContact CB-CD1 3.73Å; P554-I559 HydrophobicContact CB-CG1 4.04Å; P554-I559 HydrophobicContact CG-CD1 4.16Å; D555-I559 WeakPolarHBondContact O-CG1 3.2Å; D555-I559 PolarHBondContact O-N 3.33Å; I559-A561 VanDerWaalsContact C-N 3.35Å; I559-L562 PolarHBondContact O-N 3.39Å; I559-Q563 WeakPolarHBondContact O-CB 3.43Å; I559-Q563 PolarHBondContact O-N 2.86Å
560	I	89.5	Confident	90	Very high	58 Å²	58	51 Å²	51	30%	0.297	27%	0.273	S	S	.	.	H	α-helix	trans	-62.4	-43.6	174.3	-71	163.2	0	0	0	110.6	P556 N557 L562 Q563 Q564	P556-I560 WeakPolarHBondContact O-CD1 3.16Å; P556-I560 WeakPolarHBondContact O-CG1 3.22Å; P556-I560 PolarHBondContact O-N 2.98Å; N557-I560 PolarHBondContact O-N 3.12Å; I560-L562 VanDerWaalsContact C-N 3.32Å; I560-L562 PolarHBondContact O-N 3.43Å; I560-Q563 PolarHBondContact O-N 2.79Å; I560-Q564 HydrophobicContact CG2-CG 4.42Å; I560-Q564 WeakPolarHBondContact O-CB 3.22Å; I560-Q564 VanDerWaalsContact O-CG 3.27Å; I560-Q564 WeakPolarHBondContact O-CG 3.27Å; I560-Q564 PolarHBondContact O-N 3.15Å
561	A	89	Confident	90	Very high	15 Å²	15	47.5 Å²	47.5	12%	0.124	25%	0.252	C	S	.	.	H	α-helix	trans	-62.9	-39.7	177.6	0	0	0	0	0	111.8	L370 N557 E558 I559 Q564 L565	L370-A561 HydrophobicContact CD1-CB 4.46Å; L370-A561 HydrophobicContact CD2-CB 4.44Å; N557-A561 WeakPolarHBondContact O-CB 3.47Å; N557-A561 PolarHBondContact O-N 3.27Å; E558-A561 PolarHBondContact O-N 2.92Å; I559-A561 VanDerWaalsContact C-N 3.35Å; A561-Q564 PolarHBondContact O-N 3.4Å; A561-L565 WeakPolarHBondContact O-CB 3.28Å; A561-L565 PolarHBondContact O-N 3.27Å
562	L	89.7	Confident	90.1	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-44.8	173	177.3	71.8	0	0	0	111.5	L370 F374 P538 V541 E558 I559 I560 Q564 L565 S566	L370-L562 HydrophobicContact CD1-CB 4.39Å; L370-L562 HydrophobicContact CD2-CB 4.41Å; F374-L562 HydrophobicContact CZ-CD1 4.15Å; P538-L562 HydrophobicContact CB-CD2 4.23Å; P538-L562 HydrophobicContact CG-CD2 4.44Å; V541-L562 HydrophobicContact CB-CD2 3.46Å; V541-L562 VanDerWaalsContact CB-CD2 3.46Å; V541-L562 HydrophobicContact CG1-CD2 3.4Å; V541-L562 HydrophobicContact CG2-CD2 3.84Å; E558-L562 WeakPolarHBondContact O-CB 3.22Å; E558-L562 PolarHBondContact O-N 3.01Å; I559-L562 PolarHBondContact O-N 3.39Å; I560-L562 VanDerWaalsContact C-N 3.32Å; I560-L562 PolarHBondContact O-N 3.43Å; L562-Q564 VanDerWaalsContact C-N 3.29Å; L562-Q564 PolarHBondContact O-N 3.08Å; L562-L565 HydrophobicContact CD1-CD2 4.38Å; L562-L565 WeakPolarHBondContact O-CB 3.25Å; L562-L565 PolarHBondContact O-N 3.41Å; L562-S566 PolarHBondContact O-N 3.33Å; L562-S566 PolarHBondContact O-OG 2.96Å; L562-S566 VanDerWaalsContact O-OG 3.13Å
563	Q	89.6	Confident	90.2	Very high	81 Å²	81	42 Å²	42	38%	0.379	22%	0.22	S	C	.	.	H	α-helix	trans	-60.9	-41.1	176.6	-172.9	178.7	14	0	0	111.4	P538 I559 I560 L565 S566 I567	P538-Q563 HydrophobicContact CG-CB 4.05Å; P538-Q563 HydrophobicContact CG-CG 4.34Å; I559-Q563 WeakPolarHBondContact O-CB 3.43Å; I559-Q563 PolarHBondContact O-N 2.86Å; I560-Q563 PolarHBondContact O-N 2.79Å; Q563-L565 VanDerWaalsContact C-N 3.35Å; Q563-S566 PolarHBondContact O-N 3Å; Q563-I567 HydrophobicContact CG-CD1 4.03Å; Q563-I567 WeakPolarHBondContact O-CB 3.42Å; Q563-I567 VanDerWaalsContact O-CG1 3.23Å; Q563-I567 WeakPolarHBondContact O-CG1 3.42Å; Q563-I567 PolarHBondContact O-N 3.31Å
564	Q	88.1	Confident	90.4	Very high	50 Å²	50	35.1 Å²	35.1	23%	0.234	19%	0.19	C	C	.	.	H	α-helix	trans	-64.4	-39.5	175	-71.9	175.4	-0.3	0	0	112.3	I560 A561 L562 G568 L745	I560-Q564 HydrophobicContact CG2-CG 4.42Å; I560-Q564 WeakPolarHBondContact O-CB 3.22Å; I560-Q564 VanDerWaalsContact O-CG 3.27Å; I560-Q564 WeakPolarHBondContact O-CG 3.27Å; I560-Q564 PolarHBondContact O-N 3.15Å; A561-Q564 PolarHBondContact O-N 3.4Å; L562-Q564 VanDerWaalsContact C-N 3.29Å; L562-Q564 PolarHBondContact O-N 3.08Å; Q564-G568 WeakPolarHBondContact O-CA 3.5Å; Q564-G568 PolarHBondContact O-N 2.88Å; Q564-L745 HydrophobicContact CB-CD2 3.97Å; Q564-L745 HydrophobicContact CG-CD1 4.16Å; Q564-L745 HydrophobicContact CG-CD2 4.06Å
565	L	86.7	Confident	90.6	Very high	5 Å²	5	34.5 Å²	34.5	3%	0.026	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-54.4	173.1	170.6	67.6	0	0	0	111.1	C366 L370 I488 A561 L562 Q563 I567 G568 L569	C366-L565 HydrophobicContact CB-CD1 4.29Å; C366-L565 WeakPolarHBondContact SG-CD1 3.48Å; L370-L565 HydrophobicContact CD1-CB 4.45Å; L370-L565 HydrophobicContact CD1-CD2 3.86Å; I488-L565 HydrophobicContact CD1-CD2 3.61Å; I488-L565 HydrophobicContact CG1-CD2 3.76Å; I488-L565 HydrophobicContact CG2-CD2 4.26Å; A561-L565 WeakPolarHBondContact O-CB 3.28Å; A561-L565 PolarHBondContact O-N 3.27Å; L562-L565 HydrophobicContact CD1-CD2 4.38Å; L562-L565 WeakPolarHBondContact O-CB 3.25Å; L562-L565 PolarHBondContact O-N 3.41Å; Q563-L565 VanDerWaalsContact C-N 3.35Å; L565-I567 VanDerWaalsContact C-N 3.31Å; L565-I567 PolarHBondContact O-N 3.38Å; L565-G568 CarbonylContact O-C 3.42Å; L565-G568 WeakPolarHBondContact O-CA 3.42Å; L565-G568 PolarHBondContact O-N 2.98Å; L565-L569 HydrophobicContact CD1-CD2 4.42Å; L565-L569 HydrophobicContact CD1-CG 4.22Å; L565-L569 HydrophobicContact CG-CD1 4.42Å; L565-L569 WeakPolarHBondContact O-CG 3.33Å; L565-L569 PolarHBondContact O-N 3.26Å
566	S	87.2	Confident	90.8	Very high	31 Å²	31	34.5 Å²	34.5	22%	0.217	18%	0.184	C	C	.	.	H	α-helix	trans	-60.7	-40.7	-178.2	-56.5	0	0	0	0	111.6	L536 L562 Q563	L536-S566 PolarHBondContact O-OG 3.25Å; L562-S566 PolarHBondContact O-N 3.33Å; L562-S566 PolarHBondContact O-OG 2.96Å; L562-S566 VanDerWaalsContact O-OG 3.13Å; Q563-S566 PolarHBondContact O-N 3Å
567	I	88.6	Confident	91.1	Very high	52 Å²	52	30 Å²	30	27%	0.267	15%	0.154	S	C	.	.	H	α-helix	trans	-61	-49.2	170.1	-69.8	167.6	0	0	0	109.6	Q563 L565 L569 G570 A741 S742 L745	Q563-I567 HydrophobicContact CG-CD1 4.03Å; Q563-I567 WeakPolarHBondContact O-CB 3.42Å; Q563-I567 VanDerWaalsContact O-CG1 3.23Å; Q563-I567 WeakPolarHBondContact O-CG1 3.42Å; Q563-I567 PolarHBondContact O-N 3.31Å; L565-I567 VanDerWaalsContact C-N 3.31Å; L565-I567 PolarHBondContact O-N 3.38Å; I567-L569 VanDerWaalsContact C-N 3.34Å; I567-L569 PolarHBondContact O-N 3.02Å; I567-G570 PolarHBondContact O-N 3.36Å; I567-A741 HydrophobicContact CG2-CB 4.03Å; I567-S742 PolarHBondContact O-OG 3.13Å; I567-L745 HydrophobicContact CB-CD2 3.99Å; I567-L745 HydrophobicContact CG2-CB 4.03Å; I567-L745 HydrophobicContact CG2-CD2 3.7Å
568	G	87.3	Confident	91.4	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-61.8	-32.7	-177.3	0	0	0	0	0	115.8	Q564 L565 G570 L571	Q564-G568 WeakPolarHBondContact O-CA 3.5Å; Q564-G568 PolarHBondContact O-N 2.88Å; L565-G568 CarbonylContact O-C 3.42Å; L565-G568 WeakPolarHBondContact O-CA 3.42Å; L565-G568 PolarHBondContact O-N 2.98Å; G568-G570 PolarHBondContact O-N 3.21Å; G568-L571 VanDerWaalsContact O-CB 3.31Å; G568-L571 WeakPolarHBondContact O-CB 3.41Å; G568-L571 PolarHBondContact O-N 2.97Å
569	L	86.7	Confident	91.7	Very high	35 Å²	35	23.5 Å²	23.5	18%	0.183	12%	0.121	C	C	.	.	H	α-helix	trans	-60.9	-24.1	173.3	-71	174.9	0	0	0	112.1	R362 I488 L536 L565 I567 L571 Q573	R362-L569 PolarHBondContact NE-O 3.36Å; R362-L569 PolarHBondContact NH2-O 2.94Å; I488-L569 HydrophobicContact CG2-CD1 4.12Å; L536-L569 HydrophobicContact CD1-CD1 3.63Å; L565-L569 HydrophobicContact CD1-CD2 4.42Å; L565-L569 HydrophobicContact CD1-CG 4.22Å; L565-L569 HydrophobicContact CG-CD1 4.42Å; L565-L569 WeakPolarHBondContact O-CG 3.33Å; L565-L569 PolarHBondContact O-N 3.26Å; I567-L569 VanDerWaalsContact C-N 3.34Å; I567-L569 PolarHBondContact O-N 3.02Å; L569-L571 VanDerWaalsContact C-N 3.25Å; L569-L571 PolarHBondContact O-N 3.08Å; L569-Q573 WeakPolarHBondContact O-CG 3.44Å; L569-Q573 PolarHBondContact O-NE2 2.86Å
570	G	89.9	Confident	92.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-23	172.7	0	0	0	0	0	114.6	I567 G568 G572 Q573 S742	I567-G570 PolarHBondContact O-N 3.36Å; G568-G570 PolarHBondContact O-N 3.21Å; G570-G572 PolarHBondContact O-N 3.34Å; G570-Q573 WeakPolarHBondContact O-CB 3.48Å; G570-Q573 WeakPolarHBondContact O-CG 3.43Å; G570-Q573 PolarHBondContact O-N 3.24Å; G570-S742 VanDerWaalsContact C-OG 3.23Å; G570-S742 WeakPolarHBondContact CA-OG 3.31Å
571	L	91.3	Very high	92.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	127.8	180	-171.8	76.8	0	0	0	110.2	V319 L324 K361 R362 G568 L569 Q573 S742 T743 L746	V319-L571 HydrophobicContact CG1-CD1 4.11Å; L324-L571 HydrophobicContact CD2-CD2 4.5Å; K361-L571 HydrophobicContact CB-CD2 3.27Å; K361-L571 HydrophobicContact CG-CD2 3.83Å; R362-L571 PolarHBondContact NE-O 3.06Å; R362-L571 VanDerWaalsContact NE-O 3.12Å; R362-L571 PolarHBondContact NH2-O 2.98Å; G568-L571 VanDerWaalsContact O-CB 3.31Å; G568-L571 WeakPolarHBondContact O-CB 3.41Å; G568-L571 PolarHBondContact O-N 2.97Å; L569-L571 VanDerWaalsContact C-N 3.25Å; L569-L571 PolarHBondContact O-N 3.08Å; L571-Q573 VanDerWaalsContact C-N 3.25Å; L571-Q573 PolarHBondContact O-N 2.97Å; L571-S742 PolarHBondContact N-OG 3.3Å; L571-T743 HydrophobicContact CD1-CG2 3.9Å; L571-L746 HydrophobicContact CD1-CD1 3.89Å; L571-L746 HydrophobicContact CD2-CD1 3.74Å; L571-L746 HydrophobicContact CG-CD1 4.39Å
572	G	94	Very high	93	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.2	-3.7	176.1	0	0	0	0	0	114.5	G570 S574 L575 E576 E739	G570-G572 PolarHBondContact O-N 3.34Å; G572-S574 PolarHBondContact O-N 3.48Å; G572-L575 WeakPolarHBondContact O-CA 3.18Å; G572-L575 WeakPolarHBondContact O-CB 3.31Å; G572-L575 PolarHBondContact O-N 3.41Å; G572-E576 PolarHBondContact O-N 2.9Å; G572-E739 VanDerWaalsContact CA-OE1 3.28Å; G572-E739 WeakPolarHBondContact CA-OE1 3.12Å; G572-E739 VanDerWaalsContact N-CD 3.33Å; G572-E739 PolarHBondContact N-OE1 3.25Å; G572-E739 PolarHBondContact N-OE2 2.86Å; G572-E739 VanDerWaalsContact N-OE2 3.1Å
573	Q	94.5	Very high	93.4	Very high	35 Å²	35	21.8 Å²	21.8	16%	0.164	11%	0.107	C	C	.	.	H	α-helix	trans	-60.3	-34.3	176	-73	-73.3	-26.5	0	0	111.6	L569 G570 L571 L575 E576 V577 L735 M738 E739	L569-Q573 WeakPolarHBondContact O-CG 3.44Å; L569-Q573 PolarHBondContact O-NE2 2.86Å; G570-Q573 WeakPolarHBondContact O-CB 3.48Å; G570-Q573 WeakPolarHBondContact O-CG 3.43Å; G570-Q573 PolarHBondContact O-N 3.24Å; L571-Q573 VanDerWaalsContact C-N 3.25Å; L571-Q573 PolarHBondContact O-N 2.97Å; Q573-L575 VanDerWaalsContact C-N 3.26Å; Q573-L575 PolarHBondContact O-N 3.05Å; Q573-E576 PolarHBondContact NE2-OE2 2.99Å; Q573-E576 PolarHBondContact O-N 2.89Å; Q573-V577 WeakPolarHBondContact O-CB 3.48Å; Q573-V577 WeakPolarHBondContact O-CG2 3.44Å; Q573-V577 PolarHBondContact O-N 3.38Å; Q573-L735 HydrophobicContact CB-CD2 3.64Å; Q573-M738 HydrophobicContact CG-CE 4.45Å; Q573-E739 PolarHBondContact N-OE1 2.89Å
574	S	96.6	Very high	93.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-64.3	-31.8	174.7	63.9	0	0	0	0	112.5	G572 S578 E739	G572-S574 PolarHBondContact O-N 3.48Å; S574-S578 WeakPolarHBondContact O-CB 3.18Å; S574-S578 PolarHBondContact O-N 3.44Å; S574-S578 VanDerWaalsContact O-N 3.09Å; S574-S578 PolarHBondContact O-OG 2.95Å; S574-E739 VanDerWaalsContact CB-OE1 3.32Å; S574-E739 WeakPolarHBondContact CB-OE1 3.14Å; S574-E739 PolarHBondContact N-OE1 2.73Å; S574-E739 PolarHBondContact OG-OE1 2.77Å
575	L	97.1	Very high	94.3	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-77	-42.5	177.3	-72.6	78.1	0	0	0	111.4	V319 A320 L324 L354 G572 Q573 S578 Q579 W632	V319-L575 HydrophobicContact CB-CD1 3.88Å; V319-L575 HydrophobicContact CG1-CD1 3.72Å; A320-L575 HydrophobicContact CB-CD2 3.96Å; L324-L575 HydrophobicContact CD1-CD2 3.45Å; L324-L575 VanDerWaalsContact CD1-CD2 3.45Å; L354-L575 HydrophobicContact CD1-CD2 3.67Å; G572-L575 WeakPolarHBondContact O-CA 3.18Å; G572-L575 WeakPolarHBondContact O-CB 3.31Å; G572-L575 PolarHBondContact O-N 3.41Å; Q573-L575 VanDerWaalsContact C-N 3.26Å; Q573-L575 PolarHBondContact O-N 3.05Å; L575-S578 PolarHBondContact O-N 2.75Å; L575-Q579 PolarHBondContact O-N 2.94Å; L575-Q579 VanDerWaalsContact O-N 3.09Å; L575-Q579 PolarHBondContact O-NE2 3.5Å; L575-W632 HydrophobicContact CB-CH2 3.7Å; L575-W632 HydrophobicContact CB-CZ2 4.19Å; L575-W632 HydrophobicContact CB-CZ3 4.23Å; L575-W632 HydrophobicContact CD2-CE3 3.87Å; L575-W632 HydrophobicContact CD2-CH2 3.83Å; L575-W632 HydrophobicContact CD2-CZ2 4.44Å; L575-W632 HydrophobicContact CD2-CZ3 3.5Å; L575-W632 HydrophobicContact CG-CE3 4.36Å; L575-W632 HydrophobicContact CG-CH2 3.66Å; L575-W632 HydrophobicContact CG-CZ2 3.93Å; L575-W632 HydrophobicContact CG-CZ3 3.89Å
576	E	96	Very high	94.8	Very high	64 Å²	64	15.9 Å²	15.9	30%	0.299	8%	0.079	S	C	.	.	H	α-helix	trans	-63.3	-48.8	177.3	-70.9	168.7	161.2	0	0	110.6	R362 G572 Q573 S578 Q579 Q580	R362-E576 IonicContact CZ-OE1 2.58Å; R362-E576 IonicContact CZ-OE2 2.74Å; R362-E576 IonicContact NH1-OE1 3.58Å; R362-E576 PolarHBondContact NH1-OE1 3.1Å; R362-E576 IonicContact NH1-OE2 3.78Å; R362-E576 PolarHBondContact NH1-OE2 2.96Å; R362-E576 IonicContact NH2-OE1 3.34Å; R362-E576 PolarHBondContact NH2-OE1 3.49Å; R362-E576 IonicContact NH2-OE2 2.92Å; R362-E576 PolarHBondContact NH2-OE2 3.47Å; G572-E576 PolarHBondContact O-N 2.9Å; Q573-E576 PolarHBondContact NE2-OE2 2.99Å; Q573-E576 PolarHBondContact O-N 2.89Å; E576-S578 PolarHBondContact O-N 3.2Å; E576-Q579 PolarHBondContact O-N 3.42Å; E576-Q580 PolarHBondContact O-N 3.07Å
577	V	97.9	Very high	95.4	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.012	7%	0.069	C	C	.	.	H	α-helix	trans	-66	-37.1	176.9	172.8	0	0	0	0	111.9	V308 L312 Q573 Q579 Q580 A581 L661 L731 L735	V308-V577 HydrophobicContact CG1-CG1 4.1Å; L312-V577 HydrophobicContact CD1-CB 3.98Å; L312-V577 HydrophobicContact CD1-CG1 3.57Å; Q573-V577 WeakPolarHBondContact O-CB 3.48Å; Q573-V577 WeakPolarHBondContact O-CG2 3.44Å; Q573-V577 PolarHBondContact O-N 3.38Å; V577-Q579 VanDerWaalsContact C-N 3.31Å; V577-Q579 PolarHBondContact O-N 3.41Å; V577-Q580 PolarHBondContact O-N 3.02Å; V577-A581 WeakPolarHBondContact O-CB 3.48Å; V577-A581 PolarHBondContact O-N 3.15Å; V577-L661 HydrophobicContact CG1-CD2 3.88Å; V577-L731 HydrophobicContact CG1-CD2 4.23Å; V577-L735 HydrophobicContact CB-CD1 3.88Å; V577-L735 HydrophobicContact CG1-CD1 3.81Å; V577-L735 HydrophobicContact CG2-CD1 3.82Å; V577-L735 HydrophobicContact CG2-CD2 4.25Å
578	S	98.1	Very high	95.8	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.007	6%	0.06	C	C	.	.	H	α-helix	trans	-60.3	-41.4	174.2	-66.7	0	0	0	0	111.8	L312 S574 L575 E576 T582	L312-S578 WeakPolarHBondContact CB-OG 3.46Å; S574-S578 WeakPolarHBondContact O-CB 3.18Å; S574-S578 PolarHBondContact O-N 3.44Å; S574-S578 VanDerWaalsContact O-N 3.09Å; S574-S578 PolarHBondContact O-OG 2.95Å; L575-S578 PolarHBondContact O-N 2.75Å; E576-S578 PolarHBondContact O-N 3.2Å; S578-T582 WeakPolarHBondContact O-CG2 3.17Å; S578-T582 PolarHBondContact O-N 2.95Å
579	Q	97.6	Very high	96.3	Very high	23 Å²	23	14.8 Å²	14.8	11%	0.107	7%	0.072	C	C	.	.	H	α-helix	trans	-68	-45.7	174.3	-74.8	166.4	99.3	0	0	111.9	L575 E576 V577 A581 T582 Y583 L629	L575-Q579 PolarHBondContact O-N 2.94Å; L575-Q579 VanDerWaalsContact O-N 3.09Å; L575-Q579 PolarHBondContact O-NE2 3.5Å; E576-Q579 PolarHBondContact O-N 3.42Å; V577-Q579 VanDerWaalsContact C-N 3.31Å; V577-Q579 PolarHBondContact O-N 3.41Å; Q579-A581 PolarHBondContact O-N 2.96Å; Q579-T582 WeakPolarHBondContact O-CA 3.25Å; Q579-T582 WeakPolarHBondContact O-CB 3.37Å; Q579-T582 PolarHBondContact O-N 3.45Å; Q579-T582 PolarHBondContact O-OG1 3Å; Q579-Y583 HydrophobicContact CB-CE2 4.24Å; Q579-Y583 PolarHBondContact O-N 2.9Å; Q579-L629 HydrophobicContact CG-CD2 4.18Å
580	Q	98.1	Very high	96.8	Very high	45 Å²	45	13.1 Å²	13.1	21%	0.21	6%	0.064	C	C	.	.	H	α-helix	trans	-57.6	-39.3	178.1	-169.8	176.5	9.6	0	0	111.7	E576 V577 T582 Y583 A584 Y657 L661	E576-Q580 PolarHBondContact O-N 3.07Å; V577-Q580 PolarHBondContact O-N 3.02Å; Q580-T582 VanDerWaalsContact C-N 3.32Å; Q580-T582 PolarHBondContact O-N 3.4Å; Q580-Y583 WeakPolarHBondContact O-CB 3.28Å; Q580-Y583 PolarHBondContact O-N 3.01Å; Q580-Y583 VanDerWaalsContact O-N 3.13Å; Q580-A584 PolarHBondContact O-N 3.41Å; Q580-Y657 HydrophobicContact CG-CE1 3.89Å; Q580-L661 HydrophobicContact CB-CD1 4.4Å; Q580-L661 HydrophobicContact CB-CD2 4.39Å; Q580-L661 HydrophobicContact CG-CD1 4.18Å; Q580-L661 HydrophobicContact CG-CD2 4.11Å; Q580-L661 HydrophobicContact CG-CG 4.1Å; Q580-L661 VanDerWaalsContact OE1-CD2 3.29Å
581	A	98.7	Very high	97.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.9	-40.2	174.1	0	0	0	0	0	111.5	L305 V308 V577 Q579 Y583 A584 I585 L661	L305-A581 HydrophobicContact CD2-CB 4.29Å; V308-A581 HydrophobicContact CG1-CB 4.36Å; V577-A581 WeakPolarHBondContact O-CB 3.48Å; V577-A581 PolarHBondContact O-N 3.15Å; Q579-A581 PolarHBondContact O-N 2.96Å; A581-Y583 VanDerWaalsContact C-N 3.31Å; A581-Y583 PolarHBondContact O-N 2.56Å; A581-A584 PolarHBondContact O-N 3.12Å; A581-I585 VanDerWaalsContact O-CG1 3.28Å; A581-I585 WeakPolarHBondContact O-CG1 3.28Å; A581-I585 PolarHBondContact O-N 2.95Å; A581-L661 HydrophobicContact CB-CD1 3.96Å
582	T	98.4	Very high	97.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.9	-31.5	174.5	69.2	0	0	0	0	113.5	S578 Q579 Q580 I585 L586 I623 Q624 V627 L629	S578-T582 WeakPolarHBondContact O-CG2 3.17Å; S578-T582 PolarHBondContact O-N 2.95Å; Q579-T582 WeakPolarHBondContact O-CA 3.25Å; Q579-T582 WeakPolarHBondContact O-CB 3.37Å; Q579-T582 PolarHBondContact O-N 3.45Å; Q579-T582 PolarHBondContact O-OG1 3Å; Q580-T582 VanDerWaalsContact C-N 3.32Å; Q580-T582 PolarHBondContact O-N 3.4Å; T582-I585 PolarHBondContact O-N 2.79Å; T582-L586 WeakPolarHBondContact O-CB 3.25Å; T582-L586 PolarHBondContact O-N 3.25Å; T582-I623 HydrophobicContact CG2-CG2 4.17Å; T582-Q624 HydrophobicContact CG2-CG 3.99Å; T582-V627 HydrophobicContact CG2-CG2 3.49Å; T582-V627 VanDerWaalsContact CG2-CG2 3.49Å; T582-L629 HydrophobicContact CG2-CD1 4.29Å; T582-L629 HydrophobicContact CG2-CD2 3.76Å
583	Y	98.5	Very high	97.4	Very high	32 Å²	32	16.4 Å²	16.4	13%	0.125	9%	0.088	C	C	.	.	H	α-helix	trans	-71.6	-35.9	174.1	-53	-29.7	0	0	0	111.8	Q579 Q580 A581 L586 D587 L620 W643	Q579-Y583 HydrophobicContact CB-CE2 4.24Å; Q579-Y583 PolarHBondContact O-N 2.9Å; Q580-Y583 WeakPolarHBondContact O-CB 3.28Å; Q580-Y583 PolarHBondContact O-N 3.01Å; Q580-Y583 VanDerWaalsContact O-N 3.13Å; A581-Y583 VanDerWaalsContact C-N 3.31Å; A581-Y583 PolarHBondContact O-N 2.56Å; Y583-L586 WeakPolarHBondContact O-CB 3.28Å; Y583-L586 PolarHBondContact O-N 3.14Å; Y583-D587 PolarHBondContact O-N 3.22Å; Y583-L620 HydrophobicContact CD1-CD1 3.93Å; Y583-L620 HydrophobicContact CE1-CD1 4.12Å; Y583-L620 HydrophobicContact CE1-CD2 4.25Å; Y583-W643 HydrophobicContact CD1-CE3 4.25Å; Y583-W643 AromaticContact CD1-CH2 3.55Å; Y583-W643 HydrophobicContact CD1-CH2 3.55Å; Y583-W643 HydrophobicContact CD1-CZ2 4.23Å; Y583-W643 AromaticContact CD1-CZ3 3.56Å; Y583-W643 HydrophobicContact CD1-CZ3 3.56Å; Y583-W643 AromaticContact CD2-CH2 3.54Å; Y583-W643 HydrophobicContact CD2-CH2 3.54Å; Y583-W643 AromaticContact CD2-CZ2 3.89Å; Y583-W643 HydrophobicContact CD2-CZ2 3.89Å; Y583-W643 HydrophobicContact CD2-CZ3 4.39Å; Y583-W643 HydrophobicContact CE1-CD2 4.3Å; Y583-W643 HydrophobicContact CE1-CE3 4.09Å; Y583-W643 AromaticContact CE1-CH2 3.69Å; Y583-W643 HydrophobicContact CE1-CH2 3.69Å; Y583-W643 AromaticContact CE1-CZ2 3.91Å; Y583-W643 HydrophobicContact CE1-CZ2 3.91Å; Y583-W643 AromaticContact CE1-CZ3 3.78Å; Y583-W643 HydrophobicContact CE1-CZ3 3.78Å; Y583-W643 AromaticContact CE2-CH2 3.69Å; Y583-W643 HydrophobicContact CE2-CH2 3.69Å; Y583-W643 AromaticContact CE2-CZ2 3.55Å; Y583-W643 HydrophobicContact CE2-CZ2 3.55Å; Y583-W643 AromaticContact CG-CH2 3.48Å; Y583-W643 HydrophobicContact CG-CH2 3.48Å; Y583-W643 VanDerWaalsContact CG-CH2 3.48Å; Y583-W643 HydrophobicContact CG-CZ2 4.23Å; Y583-W643 AromaticContact CG-CZ3 3.9Å; Y583-W643 HydrophobicContact CG-CZ3 3.9Å; Y583-W643 AromaticContact CZ-CE2 3.94Å; Y583-W643 AromaticContact CZ-CH2 3.76Å; Y583-W643 AromaticContact CZ-CZ2 3.56Å
584	A	98.6	Very high	97.4	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.9	-40.3	172.5	0	0	0	0	0	112.1	L305 Q580 A581 D587 Q588 Y657	L305-A584 HydrophobicContact CD1-CB 3.71Å; L305-A584 HydrophobicContact CD2-CB 3.85Å; L305-A584 HydrophobicContact CG-CB 4.47Å; Q580-A584 PolarHBondContact O-N 3.41Å; A581-A584 PolarHBondContact O-N 3.12Å; A584-D587 PolarHBondContact O-N 3.41Å; A584-Q588 WeakPolarHBondContact O-CG 3.35Å; A584-Q588 PolarHBondContact O-N 3.34Å; A584-Y657 HydrophobicContact CB-CD1 4Å
585	I	98.6	Very high	97	Very high	12 Å²	12	17.3 Å²	17.3	6%	0.062	10%	0.095	C	C	.	.	H	α-helix	trans	-63.5	-44.1	172.9	-65	166.7	0	0	0	110.2	L305 A581 T582 D587 Q588 V589 I623 V627	L305-I585 HydrophobicContact CB-CD1 4.27Å; L305-I585 HydrophobicContact CB-CG1 3.92Å; L305-I585 HydrophobicContact CD1-CG1 3.79Å; L305-I585 HydrophobicContact CG-CG1 4.43Å; A581-I585 VanDerWaalsContact O-CG1 3.28Å; A581-I585 WeakPolarHBondContact O-CG1 3.28Å; A581-I585 PolarHBondContact O-N 2.95Å; T582-I585 PolarHBondContact O-N 2.79Å; I585-D587 PolarHBondContact O-N 3.07Å; I585-Q588 PolarHBondContact O-N 3Å; I585-V589 HydrophobicContact CG2-CG2 4.17Å; I585-V589 VanDerWaalsContact O-CG2 3.31Å; I585-V589 WeakPolarHBondContact O-CG2 3.45Å; I585-V589 PolarHBondContact O-N 2.9Å; I585-I623 HydrophobicContact CB-CG2 3.98Å; I585-I623 HydrophobicContact CD1-CG2 4.34Å; I585-I623 HydrophobicContact CG2-CD1 4.04Å; I585-I623 HydrophobicContact CG2-CG1 4.11Å; I585-I623 HydrophobicContact CG2-CG2 3.75Å; I585-V627 HydrophobicContact CD1-CG1 3.88Å
586	L	98	Very high	96.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-55.8	-50.6	175.8	174.7	69.2	0	0	0	110.9	T582 Y583 Q588 V589 L590 L619 L620 I623 P644	T582-L586 WeakPolarHBondContact O-CB 3.25Å; T582-L586 PolarHBondContact O-N 3.25Å; Y583-L586 WeakPolarHBondContact O-CB 3.28Å; Y583-L586 PolarHBondContact O-N 3.14Å; L586-Q588 PolarHBondContact O-N 3.4Å; L586-V589 PolarHBondContact O-N 3.35Å; L586-L590 HydrophobicContact CD1-CD1 3.9Å; L586-L590 HydrophobicContact CD1-CG 4.07Å; L586-L590 HydrophobicContact CG-CD1 3.86Å; L586-L590 HydrophobicContact CG-CG 4.38Å; L586-L590 WeakPolarHBondContact O-CB 3.15Å; L586-L590 WeakPolarHBondContact O-CG 3Å; L586-L590 PolarHBondContact O-N 2.59Å; L586-L619 HydrophobicContact CD1-CB 4.4Å; L586-L619 HydrophobicContact CD1-CD2 3.62Å; L586-L619 HydrophobicContact CD1-CG 3.73Å; L586-L620 HydrophobicContact CD1-CB 4.48Å; L586-L620 HydrophobicContact CD2-CB 4.38Å; L586-L620 HydrophobicContact CD2-CD1 4.31Å; L586-I623 HydrophobicContact CB-CD1 3.93Å; L586-I623 HydrophobicContact CD1-CD1 4.09Å; L586-P644 HydrophobicContact CD2-CB 4.29Å; L586-P644 HydrophobicContact CD2-CG 4.06Å
587	D	98.3	Very high	96.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-57.8	-45.6	177.7	175.8	49.5	0	0	0	112.5	Y583 A584 I585 L590 H591 L650 G655 R656 Y657	Y583-D587 PolarHBondContact O-N 3.22Å; A584-D587 PolarHBondContact O-N 3.41Å; I585-D587 PolarHBondContact O-N 3.07Å; D587-L590 PolarHBondContact O-N 3.41Å; D587-H591 PolarHBondContact O-N 2.78Å; D587-H591 PolarHBondContact O-ND1 3.13Å; D587-H591 IonicContact OD1-CE1 2.91Å; D587-H591 PolarHBondContact OD1-CE1 2.86Å; D587-H591 IonicContact OD1-ND1 3.2Å; D587-H591 PolarHBondContact OD1-ND1 3.01Å; D587-L650 HydrophobicContact CB-CD2 4.05Å; D587-G655 PolarHBondContact OD1-N 3.47Å; D587-G655 VanDerWaalsContact OD2-CA 3.22Å; D587-G655 WeakPolarHBondContact OD2-CA 3.45Å; D587-G655 PolarHBondContact OD2-N 3.23Å; D587-R656 PolarHBondContact OD2-N 3.12Å; D587-R656 VanDerWaalsContact OD2-N 3.09Å; D587-Y657 WeakPolarHBondContact OD2-CB 3.2Å; D587-Y657 PolarHBondContact OD2-N 3.21Å; D587-Y657 VanDerWaalsContact OD2-N 3.08Å
588	Q	98.1	Very high	95.7	Very high	18 Å²	18	25.8 Å²	25.8	8%	0.084	14%	0.139	C	C	.	.	H	α-helix	trans	-61.7	-48	176.6	-75.2	-60.7	-62.2	0	0	112.3	V301 A584 I585 L586 L590 H591 S592 G655	V301-Q588 HydrophobicContact CB-CG 4.5Å; V301-Q588 HydrophobicContact CG1-CG 3.67Å; A584-Q588 WeakPolarHBondContact O-CG 3.35Å; A584-Q588 PolarHBondContact O-N 3.34Å; I585-Q588 PolarHBondContact O-N 3Å; L586-Q588 PolarHBondContact O-N 3.4Å; Q588-L590 VanDerWaalsContact C-N 3.34Å; Q588-L590 PolarHBondContact O-N 3.08Å; Q588-H591 CarbonylContact O-C 3.42Å; Q588-H591 PolarHBondContact O-N 3.24Å; Q588-S592 WeakPolarHBondContact O-CB 3.44Å; Q588-S592 PolarHBondContact O-N 2.85Å; Q588-G655 VanDerWaalsContact NE2-C 3.27Å; Q588-G655 PolarHBondContact NE2-O 3.5Å
589	V	97	Very high	95	Very high	43 Å²	43	25.7 Å²	25.7	26%	0.261	14%	0.138	S	C	.	.	H	α-helix	trans	-63.9	-40	-179.5	173.1	0	0	0	0	111.3	I585 L586 H591 S592 T598 L619	I585-V589 HydrophobicContact CG2-CG2 4.17Å; I585-V589 VanDerWaalsContact O-CG2 3.31Å; I585-V589 WeakPolarHBondContact O-CG2 3.45Å; I585-V589 PolarHBondContact O-N 2.9Å; L586-V589 PolarHBondContact O-N 3.35Å; V589-H591 PolarHBondContact O-N 2.93Å; V589-S592 PolarHBondContact O-N 3.34Å; V589-S592 PolarHBondContact O-OG 3.46Å; V589-T598 WeakPolarHBondContact O-CG2 3.4Å; V589-L619 HydrophobicContact CG1-CD1 4.04Å; V589-L619 HydrophobicContact CG1-CD2 4.02Å
590	L	97.2	Very high	93.5	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-63.4	-30.8	177.7	-71.6	175.2	0	0	0	112.3	L270 L586 D587 Q588 L599 L619 L650	L270-L590 HydrophobicContact CD1-CB 3.9Å; L270-L590 HydrophobicContact CD1-CD2 3.79Å; L270-L590 HydrophobicContact CD1-CG 4.27Å; L270-L590 HydrophobicContact CD2-CB 3.98Å; L586-L590 HydrophobicContact CD1-CD1 3.9Å; L586-L590 HydrophobicContact CD1-CG 4.07Å; L586-L590 HydrophobicContact CG-CD1 3.86Å; L586-L590 HydrophobicContact CG-CG 4.38Å; L586-L590 WeakPolarHBondContact O-CB 3.15Å; L586-L590 WeakPolarHBondContact O-CG 3Å; L586-L590 PolarHBondContact O-N 2.59Å; D587-L590 PolarHBondContact O-N 3.41Å; Q588-L590 VanDerWaalsContact C-N 3.34Å; Q588-L590 PolarHBondContact O-N 3.08Å; L590-L599 HydrophobicContact CD2-CD1 4.36Å; L590-L599 HydrophobicContact CD2-CD2 3.52Å; L590-L599 HydrophobicContact CD2-CG 3.85Å; L590-L619 HydrophobicContact CD2-CD2 3.67Å; L590-L619 HydrophobicContact CG-CD2 4.16Å; L590-L650 HydrophobicContact CD1-CD1 4.06Å; L590-L650 HydrophobicContact CD1-CD2 3.78Å
591	H	97.6	Very high	92.1	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.019	16%	0.156	C	C	.	.	H	α-helix	trans	-98.6	1.2	-179	-67.4	99.5	0	0	0	114.6	L270 R273 Y285 A286 D587 Q588 V589 G593 G655	L270-H591 WeakPolarHBondContact CD2-NE2 3.41Å; R273-H591 PolarHBondContact NH1-NE2 2.94Å; Y285-H591 HydrophobicContact CD1-CB 4.09Å; Y285-H591 AromaticContact CD1-CD2 3.25Å; Y285-H591 WeakPolarHBondContact CD1-CD2 3.36Å; Y285-H591 AromaticContact CD1-CG 3.85Å; Y285-H591 AromaticContact CE1-CD2 3.81Å; Y285-H591 AromaticContact CG-CD2 4Å; Y285-H591 PolarHBondContact N-O 3.09Å; A286-H591 HydrophobicContact CB-CB 4.19Å; A286-H591 PolarHBondContact N-O 3.33Å; D587-H591 PolarHBondContact O-N 2.78Å; D587-H591 PolarHBondContact O-ND1 3.13Å; D587-H591 IonicContact OD1-CE1 2.91Å; D587-H591 PolarHBondContact OD1-CE1 2.86Å; D587-H591 IonicContact OD1-ND1 3.2Å; D587-H591 PolarHBondContact OD1-ND1 3.01Å; Q588-H591 CarbonylContact O-C 3.42Å; Q588-H591 PolarHBondContact O-N 3.24Å; V589-H591 PolarHBondContact O-N 2.93Å; H591-G593 VanDerWaalsContact C-N 3.35Å; H591-G593 PolarHBondContact O-N 2.85Å; H591-G655 PolarHBondContact ND1-N 3.08Å
592	S	96.7	Very high	90.6	Very high	56 Å²	56	29.1 Å²	29.1	39%	0.392	16%	0.162	S	C	.	.	S	Bend	trans	-83.5	-3.3	-173.1	72.5	0	0	0	0	114.7	N284 Q588 V589	N284-S592 WeakPolarHBondContact CB-O 3.48Å; N284-S592 PolarHBondContact ND2-O 3.31Å; Q588-S592 WeakPolarHBondContact O-CB 3.44Å; Q588-S592 PolarHBondContact O-N 2.85Å; V589-S592 PolarHBondContact O-N 3.34Å; V589-S592 PolarHBondContact O-OG 3.46Å
593	G	94.7	Very high	89	Confident	9 Å²	9	31.7 Å²	31.7	9%	0.093	18%	0.184	C	C	.	.	S	Bend	trans	178	-173.1	-176.1	0	0	0	0	0	114.6	H591	H591-G593 VanDerWaalsContact C-N 3.35Å; H591-G593 PolarHBondContact O-N 2.85Å
594	P	93.6	Very high	87.3	Confident	36 Å²	36	39 Å²	39	23%	0.234	22%	0.216	C	C	.	.			trans	-67.3	150.8	177.5	31.1	-36	0	0	0	110.3	E596 N597 T598	P594-E596 WeakPolarHBondContact CB-OE2 3.05Å; P594-E596 PolarHBondContact O-N 3.09Å; P594-E596 VanDerWaalsContact O-N 3.15Å; P594-N597 HydrophobicContact CG-CB 4.29Å; P594-N597 WeakPolarHBondContact CG-ND2 3.44Å; P594-N597 PolarHBondContact O-N 3.13Å; P594-T598 PolarHBondContact O-N 3.18Å
595	I	89.1	Confident	85.2	Confident	18 Å²	18	44.1 Å²	44.1	9%	0.092	24%	0.243	C	C	.	.	H	α-helix	trans	-58.7	-37	-169.9	-160.3	62.1	0	0	0	111.3	E267 L270 N597 T598 L599 P600	E267-I595 HydrophobicContact CB-CG1 4.24Å; E267-I595 HydrophobicContact CG-CD1 4.49Å; E267-I595 HydrophobicContact CG-CG1 4.16Å; L270-I595 HydrophobicContact CB-CD1 3.96Å; L270-I595 HydrophobicContact CD1-CD1 3.78Å; I595-N597 PolarHBondContact O-N 3.03Å; I595-T598 PolarHBondContact O-N 2.9Å; I595-T598 PolarHBondContact O-OG1 3.45Å; I595-L599 HydrophobicContact CD1-CB 4.05Å; I595-L599 HydrophobicContact CD1-CD1 3.65Å; I595-L599 HydrophobicContact CD1-CG 3.81Å; I595-L599 HydrophobicContact CG1-CB 4.34Å; I595-L599 HydrophobicContact CG1-CD1 4.4Å; I595-L599 PolarHBondContact O-N 3.1Å; I595-P600 WeakPolarHBondContact O-CD 3.48Å
596	E	86.7	Confident	82.9	Confident	119 Å²	119	46.2 Å²	46.2	56%	0.556	26%	0.257	S	S	*	.	H	α-helix	trans	-55.5	-26.7	179.8	-62.1	75.7	-162.9	0	0	113.5	P594 P601	P594-E596 WeakPolarHBondContact CB-OE2 3.05Å; P594-E596 PolarHBondContact O-N 3.09Å; P594-E596 VanDerWaalsContact O-N 3.15Å; E596-P601 WeakPolarHBondContact O-CD 3.39Å
597	N	87.7	Confident	80.4	Confident	117 Å²	117	55.7 Å²	55.7	63%	0.626	30%	0.301	S	S	*	.	H	α-helix	trans	-98.2	-16.9	-178.8	-65.4	-15.7	0	0	0	112.9	P594 I595	P594-N597 HydrophobicContact CG-CB 4.29Å; P594-N597 WeakPolarHBondContact CG-ND2 3.44Å; P594-N597 PolarHBondContact O-N 3.13Å; I595-N597 PolarHBondContact O-N 3.03Å
598	T	87.9	Confident	78	Confident	7 Å²	7	64.8 Å²	64.8	4%	0.043	34%	0.343	C	S	.	.	H	α-helix	trans	-105.6	-47.6	-172.8	60.6	0	0	0	0	113.3	V589 P594 I595 Y602	V589-T598 WeakPolarHBondContact O-CG2 3.4Å; P594-T598 PolarHBondContact O-N 3.18Å; I595-T598 PolarHBondContact O-N 2.9Å; I595-T598 PolarHBondContact O-OG1 3.45Å; T598-Y602 VanDerWaalsContact O-CD2 3.28Å; T598-Y602 WeakPolarHBondContact O-CD2 3.47Å; T598-Y602 VanDerWaalsContact O-CE2 3.31Å; T598-Y602 WeakPolarHBondContact O-CE2 3.42Å
599	L	83.7	Confident	75.6	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	36%	0.358	C	S	.	.	S	Bend	trans	-99.4	-51.7	-178.4	-76.8	-174.3	0	0	0	114.8	E267 L270 L590 I595 Y602 A603 A615 L619	E267-L599 HydrophobicContact CG-CD1 4.01Å; L270-L599 HydrophobicContact CD1-CD1 4.45Å; L590-L599 HydrophobicContact CD2-CD1 4.36Å; L590-L599 HydrophobicContact CD2-CD2 3.52Å; L590-L599 HydrophobicContact CD2-CG 3.85Å; I595-L599 HydrophobicContact CD1-CB 4.05Å; I595-L599 HydrophobicContact CD1-CD1 3.65Å; I595-L599 HydrophobicContact CD1-CG 3.81Å; I595-L599 HydrophobicContact CG1-CB 4.34Å; I595-L599 HydrophobicContact CG1-CD1 4.4Å; I595-L599 PolarHBondContact O-N 3.1Å; L599-Y602 WeakPolarHBondContact O-CA 3.43Å; L599-Y602 WeakPolarHBondContact O-CB 3.41Å; L599-Y602 PolarHBondContact O-N 3.03Å; L599-A603 PolarHBondContact O-N 3.48Å; L599-A615 HydrophobicContact CB-CB 4.22Å; L599-A615 HydrophobicContact CD2-CB 4.3Å; L599-L619 HydrophobicContact CD2-CD2 4.01Å
600	P	65.5	Low	73.4	Confident	48 Å²	48	71 Å²	71	31%	0.312	39%	0.391	S	S	.	.	H	α-helix	trans	-60.2	-27.8	-173.6	-29.6	41.4	0	0	0	117	I595 Y602 A603	I595-P600 WeakPolarHBondContact O-CD 3.48Å; P600-Y602 PolarHBondContact O-N 3.45Å; P600-Y602 VanDerWaalsContact O-N 3.13Å; P600-A603 WeakPolarHBondContact O-CB 3.44Å; P600-A603 PolarHBondContact O-N 3Å; P600-A603 VanDerWaalsContact O-N 3.07Å
601	P	70.2	Confident	71.5	Confident	57 Å²	57	76.6 Å²	76.6	37%	0.37	42%	0.417	S	S	.	.	H	α-helix	trans	-53.5	-32.6	169.4	-27	36.6	0	0	0	111.7	E596 L605	E596-P601 WeakPolarHBondContact O-CD 3.39Å; P601-L605 WeakPolarHBondContact O-CD1 3.43Å; P601-L605 WeakPolarHBondContact O-CG 3.45Å
602	Y	66.7	Low	70.6	Confident	34 Å²	34	84 Å²	84	13%	0.133	46%	0.455	C	S	.	.	H	α-helix	trans	-86.9	-21.6	179.2	-56.2	-83.9	0	0	0	114	T598 L599 P600 K604 L605 K618 L619 D622	T598-Y602 VanDerWaalsContact O-CD2 3.28Å; T598-Y602 WeakPolarHBondContact O-CD2 3.47Å; T598-Y602 VanDerWaalsContact O-CE2 3.31Å; T598-Y602 WeakPolarHBondContact O-CE2 3.42Å; L599-Y602 WeakPolarHBondContact O-CA 3.43Å; L599-Y602 WeakPolarHBondContact O-CB 3.41Å; L599-Y602 PolarHBondContact O-N 3.03Å; P600-Y602 PolarHBondContact O-N 3.45Å; P600-Y602 VanDerWaalsContact O-N 3.13Å; Y602-K604 PolarHBondContact O-N 2.88Å; Y602-L605 HydrophobicContact CD1-CD1 3.42Å; Y602-L605 VanDerWaalsContact CD1-CD1 3.42Å; Y602-L605 HydrophobicContact CE1-CD1 3.77Å; Y602-L605 HydrophobicContact CG-CD1 4.13Å; Y602-L605 PolarHBondContact O-N 2.87Å; Y602-K618 WeakPolarHBondContact O-CD 3.35Å; Y602-L619 HydrophobicContact CD2-CB 4.13Å; Y602-L619 HydrophobicContact CD2-CD1 4.07Å; Y602-L619 HydrophobicContact CE1-CD1 4.21Å; Y602-L619 HydrophobicContact CE2-CB 4.47Å; Y602-L619 HydrophobicContact CE2-CD1 3.55Å; Y602-L619 HydrophobicContact CE2-CG 4.48Å; Y602-L619 HydrophobicContact CG-CB 4.18Å; Y602-D622 HydrophobicContact CD1-CB 4.24Å; Y602-D622 HydrophobicContact CE1-CB 3.77Å; Y602-D622 WeakPolarHBondContact CE1-OD2 3.42Å; Y602-D622 PolarHBondContact OH-OD2 3.19Å
603	A	64.1	Low	70.2	Confident	55 Å²	55	82.6 Å²	82.6	46%	0.455	44%	0.442	S	S	.	.	H	α-helix	trans	-58.5	-35.5	171.5	0	0	0	0	0	111.5	L599 P600 A615 K618	L599-A603 PolarHBondContact O-N 3.48Å; P600-A603 WeakPolarHBondContact O-CB 3.44Å; P600-A603 PolarHBondContact O-N 3Å; P600-A603 VanDerWaalsContact O-N 3.07Å; A603-A615 HydrophobicContact CB-CB 4.36Å; A603-K618 PolarHBondContact O-NZ 3.2Å
604	K	62.2	Low	70.1	Confident	184 Å²	184	82.9 Å²	82.9	80%	0.8	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-13.3	-178.7	-64.1	-180	-178.1	174.7	0	114.9	Y602 T606	Y602-K604 PolarHBondContact O-N 2.88Å; K604-T606 VanDerWaalsContact C-N 3.27Å; K604-T606 PolarHBondContact O-N 3.21Å; K604-T606 VanDerWaalsContact O-N 3.12Å
605	L	54.8	Low	70.1	Confident	109 Å²	109	81.7 Å²	81.7	57%	0.571	44%	0.435	S	S	*	.	S	Bend	trans	-74.6	0.7	-164.7	-96.9	164.2	0	0	0	116.3	P601 Y602	P601-L605 WeakPolarHBondContact O-CD1 3.43Å; P601-L605 WeakPolarHBondContact O-CG 3.45Å; Y602-L605 HydrophobicContact CD1-CD1 3.42Å; Y602-L605 VanDerWaalsContact CD1-CD1 3.42Å; Y602-L605 HydrophobicContact CE1-CD1 3.77Å; Y602-L605 HydrophobicContact CG-CD1 4.13Å; Y602-L605 PolarHBondContact O-N 2.87Å
606	T	50.6	Low	70.4	Confident	56 Å²	56	80.9 Å²	80.9	34%	0.344	43%	0.431	S	S	.	.			trans	-145.8	103.6	176.1	38.2	0	0	0	0	111.7	K604 K618	K604-T606 VanDerWaalsContact C-N 3.27Å; K604-T606 PolarHBondContact O-N 3.21Å; K604-T606 VanDerWaalsContact O-N 3.12Å; T606-K618 VanDerWaalsContact OG1-CE 3.24Å; T606-K618 WeakPolarHBondContact OG1-CE 3.21Å; T606-K618 PolarHBondContact OG1-NZ 3.47Å
607	Q	46.1	Very low	70.8	Confident	199 Å²	199	75.2 Å²	75.2	93%	0.93	40%	0.404	S	S	*	.	S	Bend	trans	-81.9	0.1	158.7	-79.9	-176.7	-16.9	0	0	112
608	E	47.5	Very low	71	Confident	190 Å²	190	70.3 Å²	70.3	89%	0.888	38%	0.378	S	S	*	.	S	Bend	trans	-94.8	-2.9	-168.1	-68	-170.8	163.1	0	0	115.9
609	S	48.6	Very low	71.4	Confident	56 Å²	56	70 Å²	70	39%	0.392	38%	0.376	S	S	.	.			trans	-123.6	127.5	172.1	64.9	0	0	0	0	111.9	E611	S609-E611 PolarHBondContact O-N 3.04Å; S609-E611 PolarHBondContact OG-O 3.5Å; S609-E611 VanDerWaalsContact OG-O 3.07Å
610	S	49.3	Very low	72	Confident	136 Å²	136	70 Å²	70	95%	0.951	38%	0.376	S	S	*	.	S	Bend	trans	-58	-12.3	172.6	-174.5	0	0	0	0	113.8
611	E	58.1	Low	73.4	Confident	118 Å²	118	68.2 Å²	68.2	55%	0.551	37%	0.365	S	S	*	.	S	Bend	trans	-102.9	120.5	177.3	-66.6	177	178.2	0	0	110.2	S609 W613	S609-E611 PolarHBondContact O-N 3.04Å; S609-E611 PolarHBondContact OG-O 3.5Å; S609-E611 VanDerWaalsContact OG-O 3.07Å; E611-W613 PolarHBondContact O-N 2.92Å; E611-W613 VanDerWaalsContact O-N 3.1Å; E611-W613 PolarHBondContact OE2-NE1 3.36Å
612	L	78.4	Confident	74.6	Confident	159 Å²	159	67.5 Å²	67.5	83%	0.832	36%	0.357	S	S	*	.			trans	-83.9	79.5	-177.7	-159	83.3	0	0	0	110.4
613	W	89.5	Confident	76	Confident	27 Å²	27	66.3 Å²	66.3	10%	0.102	35%	0.353	C	S	.	.			trans	-64.4	147.2	174	-69.7	99	0	0	0	112.1	P258 E611 K618 P637 G641	P258-W613 HydrophobicContact CG-CE3 4.1Å; P258-W613 HydrophobicContact CG-CZ3 3.94Å; E611-W613 PolarHBondContact O-N 2.92Å; E611-W613 VanDerWaalsContact O-N 3.1Å; E611-W613 PolarHBondContact OE2-NE1 3.36Å; W613-K618 VanDerWaalsContact O-CE 3.22Å; W613-K618 WeakPolarHBondContact O-CE 3.37Å; W613-P637 HydrophobicContact CB-CB 3.79Å; W613-P637 HydrophobicContact CG-CB 3.76Å; W613-G641 VanDerWaalsContact CZ3-CA 3.46Å
614	P	92.8	Very high	77.6	Confident	16 Å²	16	63.7 Å²	63.7	10%	0.104	33%	0.332	C	S	.	.			trans	-58.2	153.1	179.8	-22.7	33	0	0	0	113.6	P258 E263 S616 S617 K618 A642	P258-P614 HydrophobicContact CB-CG 4.14Å; P258-P614 HydrophobicContact CG-CG 4.25Å; E263-P614 HydrophobicContact CB-CB 4.42Å; E263-P614 HydrophobicContact CG-CB 4.12Å; P614-S616 VanDerWaalsContact C-N 3.3Å; P614-S616 PolarHBondContact O-N 3.41Å; P614-S617 WeakPolarHBondContact O-CB 3.43Å; P614-S617 PolarHBondContact O-N 3.02Å; P614-S617 VanDerWaalsContact O-N 3.14Å; P614-K618 PolarHBondContact O-N 3.38Å; P614-K618 VanDerWaalsContact O-N 3.15Å; P614-A642 HydrophobicContact CG-CB 4.04Å
615	A	92.9	Very high	79.2	Confident	11 Å²	11	60.2 Å²	60.2	9%	0.091	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-37.3	-178.6	0	0	0	0	0	111.6	E263 L599 A603 S617 K618 L619	E263-A615 WeakPolarHBondContact OE1-CA 3.5Å; E263-A615 WeakPolarHBondContact OE1-CB 3.35Å; E263-A615 PolarHBondContact OE1-N 2.74Å; L599-A615 HydrophobicContact CB-CB 4.22Å; L599-A615 HydrophobicContact CD2-CB 4.3Å; A603-A615 HydrophobicContact CB-CB 4.36Å; A615-S617 VanDerWaalsContact C-N 3.27Å; A615-S617 PolarHBondContact O-N 2.71Å; A615-K618 PolarHBondContact O-N 2.94Å; A615-L619 PolarHBondContact O-N 3.05Å
616	S	94.9	Very high	81.2	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-58	-37.8	174	62.7	0	0	0	0	112.7	E263 P614 L620	E263-S616 PolarHBondContact OE1-N 2.81Å; E263-S616 PolarHBondContact OE1-OG 2.97Å; E263-S616 VanDerWaalsContact OE2-CB 3.25Å; E263-S616 WeakPolarHBondContact OE2-CB 3.47Å; E263-S616 PolarHBondContact OE2-OG 3.45Å; P614-S616 VanDerWaalsContact C-N 3.3Å; P614-S616 PolarHBondContact O-N 3.41Å; S616-L620 PolarHBondContact O-N 2.94Å
617	S	95	Very high	83.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-72.6	-38.3	178.6	-48.3	0	0	0	0	111.4	P614 A615 L620 S621 G641 A642	P614-S617 WeakPolarHBondContact O-CB 3.43Å; P614-S617 PolarHBondContact O-N 3.02Å; P614-S617 VanDerWaalsContact O-N 3.14Å; A615-S617 VanDerWaalsContact C-N 3.27Å; A615-S617 PolarHBondContact O-N 2.71Å; S617-L620 PolarHBondContact O-N 3.25Å; S617-S621 WeakPolarHBondContact O-CB 3.45Å; S617-S621 PolarHBondContact O-N 2.94Å; S617-G641 WeakPolarHBondContact CB-O 3.46Å; S617-G641 PolarHBondContact OG-O 3.16Å; S617-A642 WeakPolarHBondContact OG-CA 3.44Å
618	K	93.3	Very high	85.8	Confident	14 Å²	14	50.2 Å²	50.2	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-66.6	-39.4	174.1	-66.6	175.6	179.8	175.8	0	111.8	Y602 A603 T606 W613 P614 A615 S621 D622 P637	Y602-K618 WeakPolarHBondContact O-CD 3.35Å; A603-K618 PolarHBondContact O-NZ 3.2Å; T606-K618 VanDerWaalsContact OG1-CE 3.24Å; T606-K618 WeakPolarHBondContact OG1-CE 3.21Å; T606-K618 PolarHBondContact OG1-NZ 3.47Å; W613-K618 VanDerWaalsContact O-CE 3.22Å; W613-K618 WeakPolarHBondContact O-CE 3.37Å; P614-K618 PolarHBondContact O-N 3.38Å; P614-K618 VanDerWaalsContact O-N 3.15Å; A615-K618 PolarHBondContact O-N 2.94Å; K618-S621 WeakPolarHBondContact O-CB 3.39Å; K618-S621 PolarHBondContact O-N 3.37Å; K618-D622 WeakPolarHBondContact O-CB 3.4Å; K618-D622 PolarHBondContact O-N 2.88Å; K618-P637 HydrophobicContact CG-CG 4.06Å
619	L	94.7	Very high	88.1	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-62.1	-48	173.1	172.1	59.8	0	0	0	111.2	L586 V589 L590 L599 Y602 A615 S621 D622 I623	L586-L619 HydrophobicContact CD1-CB 4.4Å; L586-L619 HydrophobicContact CD1-CD2 3.62Å; L586-L619 HydrophobicContact CD1-CG 3.73Å; V589-L619 HydrophobicContact CG1-CD1 4.04Å; V589-L619 HydrophobicContact CG1-CD2 4.02Å; L590-L619 HydrophobicContact CD2-CD2 3.67Å; L590-L619 HydrophobicContact CG-CD2 4.16Å; L599-L619 HydrophobicContact CD2-CD2 4.01Å; Y602-L619 HydrophobicContact CD2-CB 4.13Å; Y602-L619 HydrophobicContact CD2-CD1 4.07Å; Y602-L619 HydrophobicContact CE1-CD1 4.21Å; Y602-L619 HydrophobicContact CE2-CB 4.47Å; Y602-L619 HydrophobicContact CE2-CD1 3.55Å; Y602-L619 HydrophobicContact CE2-CG 4.48Å; Y602-L619 HydrophobicContact CG-CB 4.18Å; A615-L619 PolarHBondContact O-N 3.05Å; L619-S621 VanDerWaalsContact C-N 3.33Å; L619-S621 PolarHBondContact O-N 3.1Å; L619-D622 PolarHBondContact O-N 3.49Å; L619-I623 HydrophobicContact CD1-CD1 3.86Å; L619-I623 HydrophobicContact CD1-CG1 4.12Å; L619-I623 HydrophobicContact CG-CD1 3.93Å; L619-I623 WeakPolarHBondContact O-CG1 3.48Å; L619-I623 PolarHBondContact O-N 3.26Å
620	L	96.2	Very high	90.4	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-58.5	-45.5	175.7	177.6	59.6	0	0	0	111.6	Y583 L586 S616 S617 D622 I623 Q624 L640 W643 P644	Y583-L620 HydrophobicContact CD1-CD1 3.93Å; Y583-L620 HydrophobicContact CE1-CD1 4.12Å; Y583-L620 HydrophobicContact CE1-CD2 4.25Å; L586-L620 HydrophobicContact CD1-CB 4.48Å; L586-L620 HydrophobicContact CD2-CB 4.38Å; L586-L620 HydrophobicContact CD2-CD1 4.31Å; S616-L620 PolarHBondContact O-N 2.94Å; S617-L620 PolarHBondContact O-N 3.25Å; L620-D622 PolarHBondContact O-N 2.96Å; L620-I623 PolarHBondContact O-N 3.34Å; L620-Q624 HydrophobicContact CD1-CG 4.18Å; L620-Q624 VanDerWaalsContact O-CG 3.31Å; L620-Q624 WeakPolarHBondContact O-CG 3.48Å; L620-Q624 PolarHBondContact O-N 3.38Å; L620-L640 HydrophobicContact CD2-CD1 4.35Å; L620-L640 HydrophobicContact CG-CD1 4.17Å; L620-W643 HydrophobicContact CD2-CB 4.44Å; L620-W643 HydrophobicContact CD2-CD2 4.44Å; L620-W643 HydrophobicContact CD2-CE3 3.89Å; L620-P644 HydrophobicContact CB-CG 4.39Å; L620-P644 HydrophobicContact CD2-CG 4.19Å
621	S	95.6	Very high	92.6	Very high	10 Å²	10	36 Å²	36	7%	0.07	18%	0.177	C	C	.	.	H	α-helix	trans	-53.6	-53.5	173.7	165.4	0	0	0	0	111.3	S617 K618 L619 I623 Q624 Y625 C635	S617-S621 WeakPolarHBondContact O-CB 3.45Å; S617-S621 PolarHBondContact O-N 2.94Å; K618-S621 WeakPolarHBondContact O-CB 3.39Å; K618-S621 PolarHBondContact O-N 3.37Å; L619-S621 VanDerWaalsContact C-N 3.33Å; L619-S621 PolarHBondContact O-N 3.1Å; S621-I623 PolarHBondContact O-N 3.07Å; S621-Q624 PolarHBondContact O-N 3.26Å; S621-Y625 WeakPolarHBondContact O-CD2 3.13Å; S621-Y625 PolarHBondContact O-N 2.96Å; S621-Y625 WeakPolarHBondContact OG-CE2 3.4Å; S621-C635 WeakPolarHBondContact CA-O 3.16Å; S621-C635 WeakPolarHBondContact CB-O 3.36Å; S621-C635 PolarHBondContact OG-O 3.47Å
622	D	94.6	Very high	94.3	Very high	41 Å²	41	30.4 Å²	30.4	22%	0.219	15%	0.151	C	C	.	.	H	α-helix	trans	-58.8	-43.3	180	175.4	71.9	0	0	0	112.7	Y602 K618 L619 L620 Q624 Y625 K626	Y602-D622 HydrophobicContact CD1-CB 4.24Å; Y602-D622 HydrophobicContact CE1-CB 3.77Å; Y602-D622 WeakPolarHBondContact CE1-OD2 3.42Å; Y602-D622 PolarHBondContact OH-OD2 3.19Å; K618-D622 WeakPolarHBondContact O-CB 3.4Å; K618-D622 PolarHBondContact O-N 2.88Å; L619-D622 PolarHBondContact O-N 3.49Å; L620-D622 PolarHBondContact O-N 2.96Å; D622-Q624 PolarHBondContact O-N 3.5Å; D622-Y625 PolarHBondContact O-N 3.34Å; D622-K626 WeakPolarHBondContact O-CB 3.42Å; D622-K626 WeakPolarHBondContact O-CG 3.23Å; D622-K626 PolarHBondContact O-N 2.97Å; D622-K626 WeakPolarHBondContact OD1-CE 3.28Å; D622-K626 IonicContact OD1-NZ 2.71Å; D622-K626 WeakPolarHBondContact OD2-CD 3.19Å; D622-K626 WeakPolarHBondContact OD2-CE 3.47Å; D622-K626 IonicContact OD2-NZ 2.62Å; D622-K626 PolarHBondContact OD2-NZ 3.27Å
623	I	96.6	Very high	95.2	Very high	9 Å²	9	23 Å²	23	5%	0.046	11%	0.112	C	C	.	.	H	α-helix	trans	-56.8	-50.8	173.8	-69.4	163.7	0	0	0	110.2	T582 I585 L586 L619 L620 S621 Y625 K626 V627	T582-I623 HydrophobicContact CG2-CG2 4.17Å; I585-I623 HydrophobicContact CB-CG2 3.98Å; I585-I623 HydrophobicContact CD1-CG2 4.34Å; I585-I623 HydrophobicContact CG2-CD1 4.04Å; I585-I623 HydrophobicContact CG2-CG1 4.11Å; I585-I623 HydrophobicContact CG2-CG2 3.75Å; L586-I623 HydrophobicContact CB-CD1 3.93Å; L586-I623 HydrophobicContact CD1-CD1 4.09Å; L619-I623 HydrophobicContact CD1-CD1 3.86Å; L619-I623 HydrophobicContact CD1-CG1 4.12Å; L619-I623 HydrophobicContact CG-CD1 3.93Å; L619-I623 WeakPolarHBondContact O-CG1 3.48Å; L619-I623 PolarHBondContact O-N 3.26Å; L620-I623 PolarHBondContact O-N 3.34Å; S621-I623 PolarHBondContact O-N 3.07Å; I623-Y625 VanDerWaalsContact C-N 3.31Å; I623-Y625 PolarHBondContact O-N 2.51Å; I623-K626 PolarHBondContact O-N 2.88Å; I623-K626 VanDerWaalsContact O-N 3.15Å; I623-V627 VanDerWaalsContact O-CG2 3.25Å; I623-V627 WeakPolarHBondContact O-CG2 3.25Å; I623-V627 PolarHBondContact O-N 3.32Å
624	Q	97.5	Very high	95.4	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.4	-36	-179.3	-68.2	-176.8	-7.6	0	0	112.7	T582 L620 S621 D622 G628 L629 C635	T582-Q624 HydrophobicContact CG2-CG 3.99Å; L620-Q624 HydrophobicContact CD1-CG 4.18Å; L620-Q624 VanDerWaalsContact O-CG 3.31Å; L620-Q624 WeakPolarHBondContact O-CG 3.48Å; L620-Q624 PolarHBondContact O-N 3.38Å; S621-Q624 PolarHBondContact O-N 3.26Å; D622-Q624 PolarHBondContact O-N 3.5Å; Q624-G628 PolarHBondContact O-N 3.22Å; Q624-L629 HydrophobicContact CB-CB 4.2Å; Q624-L629 HydrophobicContact CB-CD2 4.17Å; Q624-L629 HydrophobicContact CG-CD2 3.88Å; Q624-L629 WeakPolarHBondContact O-CB 3.41Å; Q624-L629 PolarHBondContact O-N 3.46Å; Q624-C635 HydrophobicContact CB-CB 4Å; Q624-C635 VanDerWaalsContact CB-SG 3.59Å
625	Y	96.6	Very high	95.5	Very high	111 Å²	111	21.3 Å²	21.3	44%	0.435	11%	0.105	S	C	.	.	H	α-helix	trans	-65.2	-47.3	171.5	-83.3	-73.5	0	0	0	112	S621 D622 I623 V627 G628 S630 C635	S621-Y625 WeakPolarHBondContact O-CD2 3.13Å; S621-Y625 PolarHBondContact O-N 2.96Å; S621-Y625 WeakPolarHBondContact OG-CE2 3.4Å; D622-Y625 PolarHBondContact O-N 3.34Å; I623-Y625 VanDerWaalsContact C-N 3.31Å; I623-Y625 PolarHBondContact O-N 2.51Å; Y625-V627 PolarHBondContact O-N 2.69Å; Y625-G628 PolarHBondContact O-N 2.87Å; Y625-G628 VanDerWaalsContact O-N 3.09Å; Y625-S630 VanDerWaalsContact CE1-CB 3.49Å; Y625-C635 HydrophobicContact CD2-CB 3.86Å; Y625-C635 HydrophobicContact CE1-CB 4.36Å; Y625-C635 HydrophobicContact CE2-CB 3.56Å; Y625-C635 HydrophobicContact CG-CB 4.35Å
626	K	96.3	Very high	95.5	Very high	139 Å²	139	22.2 Å²	22.2	60%	0.604	11%	0.111	S	C	*	.	H	α-helix	trans	-60.3	-41.9	-178.7	-78.2	171.8	175.2	166.4	0	112.7	D622 I623 G628	D622-K626 WeakPolarHBondContact O-CB 3.42Å; D622-K626 WeakPolarHBondContact O-CG 3.23Å; D622-K626 PolarHBondContact O-N 2.97Å; D622-K626 WeakPolarHBondContact OD1-CE 3.28Å; D622-K626 IonicContact OD1-NZ 2.71Å; D622-K626 WeakPolarHBondContact OD2-CD 3.19Å; D622-K626 WeakPolarHBondContact OD2-CE 3.47Å; D622-K626 IonicContact OD2-NZ 2.62Å; D622-K626 PolarHBondContact OD2-NZ 3.27Å; I623-K626 PolarHBondContact O-N 2.88Å; I623-K626 VanDerWaalsContact O-N 3.15Å; K626-G628 VanDerWaalsContact C-N 3.27Å; K626-G628 PolarHBondContact O-N 3.45Å
627	V	96.9	Very high	95.3	Very high	14 Å²	14	23.3 Å²	23.3	9%	0.085	12%	0.118	C	C	.	.	H	α-helix	trans	-79.7	-8.7	178.4	-61.3	0	0	0	0	113.4	C309 T582 I585 I623 Y625 L629	C309-V627 HydrophobicContact CB-CB 3.95Å; C309-V627 HydrophobicContact CB-CG1 4.04Å; T582-V627 HydrophobicContact CG2-CG2 3.49Å; T582-V627 VanDerWaalsContact CG2-CG2 3.49Å; I585-V627 HydrophobicContact CD1-CG1 3.88Å; I623-V627 VanDerWaalsContact O-CG2 3.25Å; I623-V627 WeakPolarHBondContact O-CG2 3.25Å; I623-V627 PolarHBondContact O-N 3.32Å; Y625-V627 PolarHBondContact O-N 2.69Å; V627-L629 HydrophobicContact CG2-CD1 3.62Å
628	G	96.4	Very high	95.1	Very high	1 Å²	1	25 Å²	25	1%	0.01	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.4	18.7	173	0	0	0	0	0	115.9	Q624 Y625 K626 S630 D631	Q624-G628 PolarHBondContact O-N 3.22Å; Y625-G628 PolarHBondContact O-N 2.87Å; Y625-G628 VanDerWaalsContact O-N 3.09Å; K626-G628 VanDerWaalsContact C-N 3.27Å; K626-G628 PolarHBondContact O-N 3.45Å; G628-S630 PolarHBondContact O-N 2.86Å; G628-D631 WeakPolarHBondContact O-CB 3.49Å; G628-D631 PolarHBondContact O-N 3.22Å
629	L	96.6	Very high	95.1	Very high	6 Å²	6	26.3 Å²	26.3	3%	0.031	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-60.8	-28.2	172.6	-94.5	55.7	0	0	0	111.4	Q579 T582 Q624 V627 D631 W632 F633	Q579-L629 HydrophobicContact CG-CD2 4.18Å; T582-L629 HydrophobicContact CG2-CD1 4.29Å; T582-L629 HydrophobicContact CG2-CD2 3.76Å; Q624-L629 HydrophobicContact CB-CB 4.2Å; Q624-L629 HydrophobicContact CB-CD2 4.17Å; Q624-L629 HydrophobicContact CG-CD2 3.88Å; Q624-L629 WeakPolarHBondContact O-CB 3.41Å; Q624-L629 PolarHBondContact O-N 3.46Å; V627-L629 HydrophobicContact CG2-CD1 3.62Å; L629-D631 PolarHBondContact O-N 3.44Å; L629-W632 HydrophobicContact CG-CZ2 4.07Å; L629-W632 PolarHBondContact O-N 3.12Å; L629-F633 HydrophobicContact CB-CB 4.19Å; L629-F633 WeakPolarHBondContact O-CA 3.46Å; L629-F633 VanDerWaalsContact O-CB 3.23Å; L629-F633 WeakPolarHBondContact O-CB 3.3Å; L629-F633 PolarHBondContact O-N 3.03Å
630	S	95.3	Very high	95	Very high	34 Å²	34	26.5 Å²	26.5	24%	0.238	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-59.1	-11.3	176.9	59.3	0	0	0	0	114.9	L348 Y625 G628 W632 F633	L348-S630 VanDerWaalsContact CD2-O 3.23Å; L348-S630 WeakPolarHBondContact CD2-O 3.39Å; Y625-S630 VanDerWaalsContact CE1-CB 3.49Å; G628-S630 PolarHBondContact O-N 2.86Å; S630-W632 PolarHBondContact O-N 3.02Å; S630-F633 WeakPolarHBondContact CA-O 3.5Å
631	D	95.5	Very high	95	Very high	44 Å²	44	26.5 Å²	26.5	24%	0.235	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-64.3	-25.5	172	-71.3	-9.5	0	0	0	112.6	R313 T317 R321 G628 L629	R313-D631 IonicContact CZ-OD1 2.7Å; R313-D631 IonicContact CZ-OD2 3.97Å; R313-D631 IonicContact NE-OD2 3.49Å; R313-D631 PolarHBondContact NE-OD2 3.06Å; R313-D631 IonicContact NH2-OD1 3.76Å; R313-D631 PolarHBondContact NH2-OD1 3.23Å; R313-D631 IonicContact NH2-OD2 2.8Å; R313-D631 PolarHBondContact NH2-OD2 3.24Å; T317-D631 HydrophobicContact CG2-CB 4.13Å; R321-D631 PolarHBondContact NE-O 2.95Å; R321-D631 PolarHBondContact NH2-O 3.34Å; G628-D631 WeakPolarHBondContact O-CB 3.49Å; G628-D631 PolarHBondContact O-N 3.22Å; L629-D631 PolarHBondContact O-N 3.44Å
632	W	95	Very high	95	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-146.7	-11.8	-175.8	60.5	-93.5	0	0	0	114.9	S316 T317 A320 L348 I349 L354 L575 L629 S630	S316-W632 PolarHBondContact OG-NE1 3.43Å; S316-W632 VanDerWaalsContact OG-NE1 3.12Å; T317-W632 VanDerWaalsContact CA-CD1 3.49Å; A320-W632 HydrophobicContact CB-CB 3.56Å; A320-W632 HydrophobicContact CB-CD2 3.8Å; A320-W632 HydrophobicContact CB-CE3 3.81Å; A320-W632 HydrophobicContact CB-CG 3.72Å; L348-W632 CarbonylContact C-O 3.51Å; L348-W632 WeakPolarHBondContact CA-O 3.47Å; I349-W632 PolarHBondContact N-O 2.92Å; L354-W632 HydrophobicContact CD2-CZ3 4.35Å; L575-W632 HydrophobicContact CB-CH2 3.7Å; L575-W632 HydrophobicContact CB-CZ2 4.19Å; L575-W632 HydrophobicContact CB-CZ3 4.23Å; L575-W632 HydrophobicContact CD2-CE3 3.87Å; L575-W632 HydrophobicContact CD2-CH2 3.83Å; L575-W632 HydrophobicContact CD2-CZ2 4.44Å; L575-W632 HydrophobicContact CD2-CZ3 3.5Å; L575-W632 HydrophobicContact CG-CE3 4.36Å; L575-W632 HydrophobicContact CG-CH2 3.66Å; L575-W632 HydrophobicContact CG-CZ2 3.93Å; L575-W632 HydrophobicContact CG-CZ3 3.89Å; L629-W632 HydrophobicContact CG-CZ2 4.07Å; L629-W632 PolarHBondContact O-N 3.12Å; S630-W632 PolarHBondContact O-N 3.02Å
633	F	96.2	Very high	95.1	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.009	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-116.7	144.5	-176	-167.7	-114.8	0	0	0	111.3	I349 P351 L354 L629 S630 C635 L640	I349-F633 WeakPolarHBondContact O-CD2 3.42Å; P351-F633 HydrophobicContact CB-CE2 4.33Å; P351-F633 HydrophobicContact CB-CZ 3.83Å; P351-F633 HydrophobicContact CG-CE1 4Å; P351-F633 HydrophobicContact CG-CE2 4.11Å; P351-F633 HydrophobicContact CG-CZ 3.5Å; P351-F633 VanDerWaalsContact CG-CZ 3.5Å; L354-F633 HydrophobicContact CB-CE2 4.48Å; L354-F633 HydrophobicContact CD2-CD2 4.46Å; L354-F633 HydrophobicContact CD2-CE2 3.99Å; L629-F633 HydrophobicContact CB-CB 4.19Å; L629-F633 WeakPolarHBondContact O-CA 3.46Å; L629-F633 VanDerWaalsContact O-CB 3.23Å; L629-F633 WeakPolarHBondContact O-CB 3.3Å; L629-F633 PolarHBondContact O-N 3.03Å; S630-F633 WeakPolarHBondContact CA-O 3.5Å; F633-C635 PolarHBondContact O-N 3.02Å; F633-L640 HydrophobicContact CE1-CD2 3.84Å; F633-L640 HydrophobicContact CZ-CD2 4.47Å
634	S	94.9	Very high	95.1	Very high	7 Å²	7	25 Å²	25	5%	0.049	13%	0.129	C	C	.	.			trans	-83.7	98.2	177	-158.9	0	0	0	0	110.9	I349 H639	I349-S634 PolarHBondContact O-N 3.5Å; S634-H639 PolarHBondContact OG-CE1 2.75Å; S634-H639 VanDerWaalsContact OG-CG 3.31Å; S634-H639 PolarHBondContact OG-ND1 3.44Å
635	C	94.3	Very high	95.2	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.007	13%	0.13	C	C	.	.			trans	-89.3	-5.6	-172.2	-59.3	0	0	0	0	115.1	S621 Q624 Y625 F633 L640	S621-C635 WeakPolarHBondContact CA-O 3.16Å; S621-C635 WeakPolarHBondContact CB-O 3.36Å; S621-C635 PolarHBondContact OG-O 3.47Å; Q624-C635 HydrophobicContact CB-CB 4Å; Q624-C635 VanDerWaalsContact CB-SG 3.59Å; Y625-C635 HydrophobicContact CD2-CB 3.86Å; Y625-C635 HydrophobicContact CE1-CB 4.36Å; Y625-C635 HydrophobicContact CE2-CB 3.56Å; Y625-C635 HydrophobicContact CG-CB 4.35Å; F633-C635 PolarHBondContact O-N 3.02Å; C635-L640 WeakPolarHBondContact O-CD1 3.47Å
636	S	92.3	Very high	95.2	Very high	31 Å²	31	21.2 Å²	21.2	22%	0.217	11%	0.114	C	C	.	.	S	Bend	trans	-67.8	148.2	-173	70.1	0	0	0	0	111.8	A638 H639 L640	S636-A638 PolarHBondContact O-N 3.34Å; S636-A638 VanDerWaalsContact O-N 3.09Å; S636-H639 PolarHBondContact O-N 3.43Å; S636-H639 PolarHBondContact OG-CE1 3.27Å; S636-H639 PolarHBondContact OG-ND1 3.1Å; S636-L640 PolarHBondContact O-N 3.03Å; S636-L640 VanDerWaalsContact O-N 3.08Å
637	P	91.6	Very high	95.2	Very high	23 Å²	23	15 Å²	15	15%	0.149	9%	0.087	C	C	.	.	H	α-helix	trans	-54.8	-35.1	-178.4	-28.1	36.3	0	0	0	113.7	W613 K618 H639 L640 G641	W613-P637 HydrophobicContact CB-CB 3.79Å; W613-P637 HydrophobicContact CG-CB 3.76Å; K618-P637 HydrophobicContact CG-CG 4.06Å; P637-H639 VanDerWaalsContact C-N 3.27Å; P637-H639 PolarHBondContact O-N 2.74Å; P637-L640 PolarHBondContact O-N 3.16Å; P637-G641 PolarHBondContact O-N 3.07Å
638	A	90.8	Very high	95.2	Very high	36 Å²	36	16 Å²	16	30%	0.298	9%	0.093	S	C	.	.	H	α-helix	trans	-58.6	-34.6	174.8	0	0	0	0	0	113.6	H253 S636	H253-A638 PolarHBondContact CE1-O 2.95Å; S636-A638 PolarHBondContact O-N 3.34Å; S636-A638 VanDerWaalsContact O-N 3.09Å
639	H	92.2	Very high	95.2	Very high	41 Å²	41	18.2 Å²	18.2	19%	0.19	10%	0.103	C	C	.	.	H	α-helix	trans	-89.3	-32.3	-180	-60.5	121.6	0	0	0	112.7	Y252 W350 P351 S634 S636 P637	Y252-H639 WeakPolarHBondContact CE1-O 3.17Å; W350-H639 AromaticContact CD2-CD2 3.63Å; W350-H639 AromaticContact CE2-CD2 3.57Å; W350-H639 AromaticContact CE2-NE2 3.52Å; W350-H639 AromaticContact CE3-CD2 3.46Å; W350-H639 VanDerWaalsContact CE3-CD2 3.46Å; W350-H639 AromaticContact CH2-CD2 3.27Å; W350-H639 WeakPolarHBondContact CH2-CD2 3.32Å; W350-H639 AromaticContact CH2-NE2 3.13Å; W350-H639 WeakPolarHBondContact CH2-NE2 3.28Å; W350-H639 AromaticContact CZ2-CD2 3.44Å; W350-H639 VanDerWaalsContact CZ2-CD2 3.44Å; W350-H639 WeakPolarHBondContact CZ2-CD2 3.33Å; W350-H639 AromaticContact CZ2-CE1 3.97Å; W350-H639 AromaticContact CZ2-NE2 3.03Å; W350-H639 WeakPolarHBondContact CZ2-NE2 3.49Å; W350-H639 AromaticContact CZ3-CD2 3.27Å; W350-H639 WeakPolarHBondContact CZ3-CD2 3.16Å; W350-H639 AromaticContact CZ3-NE2 3.7Å; P351-H639 HydrophobicContact CG-CB 4.5Å; P351-H639 WeakPolarHBondContact CG-O 3.49Å; S634-H639 PolarHBondContact OG-CE1 2.75Å; S634-H639 VanDerWaalsContact OG-CG 3.31Å; S634-H639 PolarHBondContact OG-ND1 3.44Å; S636-H639 PolarHBondContact O-N 3.43Å; S636-H639 PolarHBondContact OG-CE1 3.27Å; S636-H639 PolarHBondContact OG-ND1 3.1Å; P637-H639 VanDerWaalsContact C-N 3.27Å; P637-H639 PolarHBondContact O-N 2.74Å
640	L	94.4	Very high	95.2	Very high	4 Å²	4	18 Å²	18	2%	0.021	10%	0.101	C	C	.	.	H	α-helix	trans	-73.5	-31.5	176.7	-63.3	179.1	0	0	0	112.7	Y252 P351 L620 F633 C635 S636 P637	Y252-L640 PolarHBondContact OH-O 3.48Å; P351-L640 HydrophobicContact CG-CD2 3.81Å; L620-L640 HydrophobicContact CD2-CD1 4.35Å; L620-L640 HydrophobicContact CG-CD1 4.17Å; F633-L640 HydrophobicContact CE1-CD2 3.84Å; F633-L640 HydrophobicContact CZ-CD2 4.47Å; C635-L640 WeakPolarHBondContact O-CD1 3.47Å; S636-L640 PolarHBondContact O-N 3.03Å; S636-L640 VanDerWaalsContact O-N 3.08Å; P637-L640 PolarHBondContact O-N 3.16Å
641	G	94.8	Very high	95.3	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.01	10%	0.095	C	C	.	.			trans	64.4	-166.4	-168.3	0	0	0	0	0	112.8	Y256 W613 S617 P637 W643	Y256-G641 CarbonylContact O-C 3.56Å; Y256-G641 WeakPolarHBondContact O-CA 3.16Å; W613-G641 VanDerWaalsContact CZ3-CA 3.46Å; S617-G641 WeakPolarHBondContact CB-O 3.46Å; S617-G641 PolarHBondContact OG-O 3.16Å; P637-G641 PolarHBondContact O-N 3.07Å; G641-W643 PolarHBondContact O-N 3.16Å
642	A	96.3	Very high	95	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.114	C	C	.	.	S	Bend	trans	-79.1	42.9	173.2	0	0	0	0	0	112.5	Y256 P258 P614 S617 P644 H645	Y256-A642 PolarHBondContact O-N 3.1Å; P258-A642 HydrophobicContact CB-CB 4.22Å; P258-A642 HydrophobicContact CG-CB 4.17Å; P614-A642 HydrophobicContact CG-CB 4.04Å; S617-A642 WeakPolarHBondContact OG-CA 3.44Å; A642-P644 VanDerWaalsContact C-N 3.3Å; A642-H645 HydrophobicContact CB-CB 4.34Å; A642-H645 WeakPolarHBondContact O-CB 3.24Å; A642-H645 PolarHBondContact O-N 3.45Å
643	W	96.8	Very high	95	Very high	30 Å²	30	23.8 Å²	23.8	11%	0.114	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-48.5	-43.5	-178.2	-174.6	96.4	0	0	0	114.1	Y256 Y583 L620 G641 H645 R646 F647	Y256-W643 HydrophobicContact CD1-CB 4.19Å; Y256-W643 AromaticContact CD1-CD1 3.95Å; Y256-W643 HydrophobicContact CD1-CG 4.33Å; Y256-W643 HydrophobicContact CE1-CB 4.38Å; Y256-W643 AromaticContact CE1-CD1 3.37Å; Y256-W643 HydrophobicContact CE1-CG 4.04Å; Y256-W643 AromaticContact CE1-NE1 3.99Å; Y256-W643 AromaticContact CE2-CD1 4Å; Y256-W643 AromaticContact CZ-CD1 3.4Å; Y256-W643 VanDerWaalsContact CZ-CD1 3.4Å; Y256-W643 AromaticContact CZ-NE1 3.82Å; Y583-W643 HydrophobicContact CD1-CE3 4.25Å; Y583-W643 AromaticContact CD1-CH2 3.55Å; Y583-W643 HydrophobicContact CD1-CH2 3.55Å; Y583-W643 HydrophobicContact CD1-CZ2 4.23Å; Y583-W643 AromaticContact CD1-CZ3 3.56Å; Y583-W643 HydrophobicContact CD1-CZ3 3.56Å; Y583-W643 AromaticContact CD2-CH2 3.54Å; Y583-W643 HydrophobicContact CD2-CH2 3.54Å; Y583-W643 AromaticContact CD2-CZ2 3.89Å; Y583-W643 HydrophobicContact CD2-CZ2 3.89Å; Y583-W643 HydrophobicContact CD2-CZ3 4.39Å; Y583-W643 HydrophobicContact CE1-CD2 4.3Å; Y583-W643 HydrophobicContact CE1-CE3 4.09Å; Y583-W643 AromaticContact CE1-CH2 3.69Å; Y583-W643 HydrophobicContact CE1-CH2 3.69Å; Y583-W643 AromaticContact CE1-CZ2 3.91Å; Y583-W643 HydrophobicContact CE1-CZ2 3.91Å; Y583-W643 AromaticContact CE1-CZ3 3.78Å; Y583-W643 HydrophobicContact CE1-CZ3 3.78Å; Y583-W643 AromaticContact CE2-CH2 3.69Å; Y583-W643 HydrophobicContact CE2-CH2 3.69Å; Y583-W643 AromaticContact CE2-CZ2 3.55Å; Y583-W643 HydrophobicContact CE2-CZ2 3.55Å; Y583-W643 AromaticContact CG-CH2 3.48Å; Y583-W643 HydrophobicContact CG-CH2 3.48Å; Y583-W643 VanDerWaalsContact CG-CH2 3.48Å; Y583-W643 HydrophobicContact CG-CZ2 4.23Å; Y583-W643 AromaticContact CG-CZ3 3.9Å; Y583-W643 HydrophobicContact CG-CZ3 3.9Å; Y583-W643 AromaticContact CZ-CE2 3.94Å; Y583-W643 AromaticContact CZ-CH2 3.76Å; Y583-W643 AromaticContact CZ-CZ2 3.56Å; L620-W643 HydrophobicContact CD2-CB 4.44Å; L620-W643 HydrophobicContact CD2-CD2 4.44Å; L620-W643 HydrophobicContact CD2-CE3 3.89Å; G641-W643 PolarHBondContact O-N 3.16Å; W643-H645 PolarHBondContact O-N 2.88Å; W643-H645 VanDerWaalsContact O-N 3.12Å; W643-R646 PolarHBondContact O-N 2.78Å; W643-F647 HydrophobicContact CE3-CB 4.26Å; W643-F647 HydrophobicContact CH2-CB 3.96Å; W643-F647 AromaticContact CH2-CD1 3.99Å; W643-F647 HydrophobicContact CH2-CD1 3.99Å; W643-F647 AromaticContact CH2-CD2 3.4Å; W643-F647 HydrophobicContact CH2-CD2 3.4Å; W643-F647 VanDerWaalsContact CH2-CD2 3.4Å; W643-F647 HydrophobicContact CH2-CE1 4.38Å; W643-F647 AromaticContact CH2-CE2 3.82Å; W643-F647 HydrophobicContact CH2-CE2 3.82Å; W643-F647 AromaticContact CH2-CG 3.52Å; W643-F647 HydrophobicContact CH2-CG 3.52Å; W643-F647 HydrophobicContact CH2-CZ 4.3Å; W643-F647 HydrophobicContact CZ2-CD2 4.16Å; W643-F647 HydrophobicContact CZ3-CB 3.69Å; W643-F647 AromaticContact CZ3-CD1 3.77Å; W643-F647 HydrophobicContact CZ3-CD1 3.77Å; W643-F647 AromaticContact CZ3-CD2 3.96Å; W643-F647 HydrophobicContact CZ3-CD2 3.96Å; W643-F647 HydrophobicContact CZ3-CE1 4.41Å; W643-F647 AromaticContact CZ3-CG 3.55Å; W643-F647 HydrophobicContact CZ3-CG 3.55Å
644	P	97.3	Very high	95	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-58.9	-26.2	178.4	-26.6	37	0	0	0	114.6	F210 L586 L620 A642 R646 F647	F210-P644 WeakPolarHBondContact CZ-O 3.28Å; L586-P644 HydrophobicContact CD2-CB 4.29Å; L586-P644 HydrophobicContact CD2-CG 4.06Å; L620-P644 HydrophobicContact CB-CG 4.39Å; L620-P644 HydrophobicContact CD2-CG 4.19Å; A642-P644 VanDerWaalsContact C-N 3.3Å; P644-R646 PolarHBondContact O-N 2.91Å; P644-R646 VanDerWaalsContact O-N 3.07Å; P644-F647 PolarHBondContact O-N 3.44Å; P644-F647 VanDerWaalsContact O-N 3.16Å
645	H	97.6	Very high	95.1	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.019	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-59.8	-20.7	177.3	-76.6	-155.8	0	0	0	113.1	C214 V259 Q262 E263 A642 W643	C214-H645 PolarHBondContact SG-O 3.26Å; V259-H645 HydrophobicContact CG2-CB 4.36Å; V259-H645 PolarHBondContact N-ND1 3.01Å; V259-H645 VanDerWaalsContact N-ND1 3.17Å; V259-H645 PolarHBondContact O-CE1 3.16Å; V259-H645 PolarHBondContact O-ND1 3.36Å; Q262-H645 HydrophobicContact CB-CB 4.3Å; Q262-H645 WeakPolarHBondContact CB-ND1 3.34Å; Q262-H645 HydrophobicContact CG-CB 3.65Å; Q262-H645 PolarHBondContact NE2-O 3.05Å; E263-H645 IonicContact OE2-CD2 2.88Å; E263-H645 IonicContact OE2-NE2 2.8Å; E263-H645 PolarHBondContact OE2-NE2 3.07Å; A642-H645 HydrophobicContact CB-CB 4.34Å; A642-H645 WeakPolarHBondContact O-CB 3.24Å; A642-H645 PolarHBondContact O-N 3.45Å; W643-H645 PolarHBondContact O-N 2.88Å; W643-H645 VanDerWaalsContact O-N 3.12Å
646	R	96.9	Very high	95.2	Very high	26 Å²	26	28 Å²	28	10%	0.098	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-113.6	10.8	-177.6	-58.8	-170.5	178	-82.9	2.4	113.5	C214 S216 V218 Y255 Y256 W643 P644 T648	C214-R646 PolarHBondContact O-NH1 2.87Å; S216-R646 PolarHBondContact O-NH1 2.7Å; S216-R646 PolarHBondContact OG-NH1 2.93Å; V218-R646 VanDerWaalsContact CG2-NH2 3.34Å; Y255-R646 VanDerWaalsContact CZ-CD 3.5Å; Y255-R646 PolarHBondContact O-NE 3.49Å; Y255-R646 PolarHBondContact O-NH2 3.33Å; Y255-R646 VanDerWaalsContact O-NH2 3.12Å; Y256-R646 HydrophobicContact CE1-CB 4.26Å; W643-R646 PolarHBondContact O-N 2.78Å; P644-R646 PolarHBondContact O-N 2.91Å; P644-R646 VanDerWaalsContact O-N 3.07Å; R646-T648 PolarHBondContact O-N 3.19Å
647	F	97.4	Very high	95.5	Very high	10 Å²	10	27.7 Å²	27.7	4%	0.044	14%	0.136	C	C	.	.			trans	-90.9	85.9	-178.2	-171.9	-140.4	0	0	0	111.3	W643 P644 H649 L650 Y657	W643-F647 HydrophobicContact CE3-CB 4.26Å; W643-F647 HydrophobicContact CH2-CB 3.96Å; W643-F647 AromaticContact CH2-CD1 3.99Å; W643-F647 HydrophobicContact CH2-CD1 3.99Å; W643-F647 AromaticContact CH2-CD2 3.4Å; W643-F647 HydrophobicContact CH2-CD2 3.4Å; W643-F647 VanDerWaalsContact CH2-CD2 3.4Å; W643-F647 HydrophobicContact CH2-CE1 4.38Å; W643-F647 AromaticContact CH2-CE2 3.82Å; W643-F647 HydrophobicContact CH2-CE2 3.82Å; W643-F647 AromaticContact CH2-CG 3.52Å; W643-F647 HydrophobicContact CH2-CG 3.52Å; W643-F647 HydrophobicContact CH2-CZ 4.3Å; W643-F647 HydrophobicContact CZ2-CD2 4.16Å; W643-F647 HydrophobicContact CZ3-CB 3.69Å; W643-F647 AromaticContact CZ3-CD1 3.77Å; W643-F647 HydrophobicContact CZ3-CD1 3.77Å; W643-F647 AromaticContact CZ3-CD2 3.96Å; W643-F647 HydrophobicContact CZ3-CD2 3.96Å; W643-F647 HydrophobicContact CZ3-CE1 4.41Å; W643-F647 AromaticContact CZ3-CG 3.55Å; W643-F647 HydrophobicContact CZ3-CG 3.55Å; P644-F647 PolarHBondContact O-N 3.44Å; P644-F647 VanDerWaalsContact O-N 3.16Å; F647-H649 HydrophobicContact CD2-CB 4.13Å; F647-H649 AromaticContact CD2-ND1 3.97Å; F647-H649 HydrophobicContact CE1-CB 4.17Å; F647-H649 HydrophobicContact CE2-CB 3.56Å; F647-H649 AromaticContact CE2-CG 3.78Å; F647-H649 AromaticContact CE2-ND1 3.48Å; F647-H649 WeakPolarHBondContact CE2-ND1 3.42Å; F647-H649 HydrophobicContact CZ-CB 3.56Å; F647-H649 PolarHBondContact O-N 3.09Å; F647-H649 VanDerWaalsContact O-N 3.12Å; F647-L650 HydrophobicContact CB-CD1 4.3Å; F647-L650 HydrophobicContact CB-CG 4.35Å; F647-L650 HydrophobicContact CD1-CD1 4.07Å; F647-L650 HydrophobicContact CD1-CD2 3.81Å; F647-L650 HydrophobicContact CD1-CG 3.51Å; F647-L650 HydrophobicContact CE1-CD2 4.05Å; F647-L650 HydrophobicContact CE1-CG 4.17Å; F647-L650 HydrophobicContact CG-CG 4.26Å; F647-L650 WeakPolarHBondContact O-CB 3.31Å; F647-L650 WeakPolarHBondContact O-CG 3.13Å; F647-L650 PolarHBondContact O-N 3.02Å; F647-L650 VanDerWaalsContact O-N 3.1Å; F647-Y657 HydrophobicContact CE1-CD1 4.35Å; F647-Y657 HydrophobicContact CE1-CG 4.45Å; F647-Y657 HydrophobicContact CE2-CD2 4.36Å; F647-Y657 HydrophobicContact CE2-CE1 4.22Å; F647-Y657 AromaticContact CE2-CE2 3.93Å; F647-Y657 HydrophobicContact CE2-CE2 3.93Å; F647-Y657 AromaticContact CE2-CZ 3.83Å; F647-Y657 AromaticContact CZ-CD1 3.63Å; F647-Y657 HydrophobicContact CZ-CD1 3.63Å; F647-Y657 AromaticContact CZ-CD2 3.8Å; F647-Y657 HydrophobicContact CZ-CD2 3.8Å; F647-Y657 AromaticContact CZ-CE1 3.57Å; F647-Y657 HydrophobicContact CZ-CE1 3.57Å; F647-Y657 AromaticContact CZ-CE2 3.74Å; F647-Y657 HydrophobicContact CZ-CE2 3.74Å; F647-Y657 AromaticContact CZ-CG 3.73Å; F647-Y657 HydrophobicContact CZ-CG 3.73Å; F647-Y657 AromaticContact CZ-CZ 3.61Å
648	T	96	Very high	95.8	Very high	34 Å²	34	26.7 Å²	26.7	21%	0.209	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28	-176.3	52.6	0	0	0	0	114.2	I211 C214 R646 L650 V651 N652	I211-T648 HydrophobicContact CD1-CG2 3.72Å; C214-T648 HydrophobicContact CB-CG2 3.53Å; R646-T648 PolarHBondContact O-N 3.19Å; T648-L650 PolarHBondContact O-N 3.37Å; T648-V651 PolarHBondContact O-N 2.89Å; T648-N652 PolarHBondContact O-N 3.15Å
649	H	96.3	Very high	96.1	Very high	48 Å²	48	25 Å²	25	22%	0.222	12%	0.116	C	C	.	.	H	α-helix	trans	-63.8	-21.3	179.1	-67.1	87.3	0	0	0	113.4	F647 V651 Y653 G654 Y657 Y660	F647-H649 HydrophobicContact CD2-CB 4.13Å; F647-H649 AromaticContact CD2-ND1 3.97Å; F647-H649 HydrophobicContact CE1-CB 4.17Å; F647-H649 HydrophobicContact CE2-CB 3.56Å; F647-H649 AromaticContact CE2-CG 3.78Å; F647-H649 AromaticContact CE2-ND1 3.48Å; F647-H649 WeakPolarHBondContact CE2-ND1 3.42Å; F647-H649 HydrophobicContact CZ-CB 3.56Å; F647-H649 PolarHBondContact O-N 3.09Å; F647-H649 VanDerWaalsContact O-N 3.12Å; H649-V651 PolarHBondContact O-N 3.42Å; H649-V651 VanDerWaalsContact O-N 3.14Å; H649-Y653 AromaticContact CD2-CD2 3.44Å; H649-Y653 VanDerWaalsContact CD2-CD2 3.44Å; H649-Y653 WeakPolarHBondContact CD2-CD2 3.41Å; H649-Y653 AromaticContact CD2-CE2 4Å; H649-Y653 CarbonylContact O-C 3.51Å; H649-Y653 VanDerWaalsContact O-CA 3.32Å; H649-Y653 WeakPolarHBondContact O-CA 3.46Å; H649-Y653 PolarHBondContact O-N 3.27Å; H649-G654 PolarHBondContact O-N 2.94Å; H649-G654 VanDerWaalsContact O-N 3.14Å; H649-Y657 HydrophobicContact CB-CD2 3.5Å; H649-Y657 VanDerWaalsContact CB-CD2 3.5Å; H649-Y657 HydrophobicContact CB-CE2 3.87Å; H649-Y657 HydrophobicContact CB-CG 4.27Å; H649-Y657 AromaticContact CD2-CD2 3.5Å; H649-Y657 AromaticContact CD2-CE2 3.43Å; H649-Y657 VanDerWaalsContact CD2-CE2 3.43Å; H649-Y657 WeakPolarHBondContact CD2-CE2 3.36Å; H649-Y657 AromaticContact CG-CD2 3.51Å; H649-Y657 AromaticContact CG-CE2 3.43Å; H649-Y657 VanDerWaalsContact CG-CE2 3.43Å; H649-Y657 AromaticContact ND1-CE2 3.8Å; H649-Y657 AromaticContact NE2-CE2 3.81Å; H649-Y660 AromaticContact CD2-CE2 3.78Å; H649-Y660 AromaticContact NE2-CE2 3.89Å
650	L	97.4	Very high	96.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60	-22	170.4	-65.2	176	0	0	0	112.2	F210 L266 R273 D587 L590 F647 T648 G654	F210-L650 HydrophobicContact CE1-CB 4.49Å; F210-L650 HydrophobicContact CZ-CD1 4.28Å; L266-L650 HydrophobicContact CD1-CD1 3.98Å; L266-L650 HydrophobicContact CD2-CD1 4.28Å; R273-L650 PolarHBondContact NH1-O 3.26Å; D587-L650 HydrophobicContact CB-CD2 4.05Å; L590-L650 HydrophobicContact CD1-CD1 4.06Å; L590-L650 HydrophobicContact CD1-CD2 3.78Å; F647-L650 HydrophobicContact CB-CD1 4.3Å; F647-L650 HydrophobicContact CB-CG 4.35Å; F647-L650 HydrophobicContact CD1-CD1 4.07Å; F647-L650 HydrophobicContact CD1-CD2 3.81Å; F647-L650 HydrophobicContact CD1-CG 3.51Å; F647-L650 HydrophobicContact CE1-CD2 4.05Å; F647-L650 HydrophobicContact CE1-CG 4.17Å; F647-L650 HydrophobicContact CG-CG 4.26Å; F647-L650 WeakPolarHBondContact O-CB 3.31Å; F647-L650 WeakPolarHBondContact O-CG 3.13Å; F647-L650 PolarHBondContact O-N 3.02Å; F647-L650 VanDerWaalsContact O-N 3.1Å; T648-L650 PolarHBondContact O-N 3.37Å; L650-G654 WeakPolarHBondContact O-CA 3.21Å
651	V	96.4	Very high	96.5	Very high	16 Å²	16	25 Å²	25	10%	0.097	11%	0.114	C	C	.	.	H	α-helix	trans	-95.9	-67.7	178	-172.8	0	0	0	0	110.3	F210 I211 L269 R273 T648 H649 Y653 G654	F210-V651 HydrophobicContact CB-CG2 4.15Å; F210-V651 HydrophobicContact CD1-CG2 3.49Å; F210-V651 VanDerWaalsContact CD1-CG2 3.49Å; F210-V651 HydrophobicContact CE1-CG2 4.29Å; F210-V651 HydrophobicContact CG-CG2 4.18Å; I211-V651 HydrophobicContact CD1-CB 3.86Å; I211-V651 HydrophobicContact CD1-CG1 4.48Å; I211-V651 HydrophobicContact CD1-CG2 3.93Å; I211-V651 HydrophobicContact CG1-CB 3.94Å; I211-V651 HydrophobicContact CG1-CG1 4.05Å; I211-V651 HydrophobicContact CG1-CG2 3.97Å; L269-V651 HydrophobicContact CD2-CG2 3.88Å; R273-V651 PolarHBondContact NH2-O 3.45Å; T648-V651 PolarHBondContact O-N 2.89Å; H649-V651 PolarHBondContact O-N 3.42Å; H649-V651 VanDerWaalsContact O-N 3.14Å; V651-Y653 VanDerWaalsContact C-N 3.31Å; V651-Y653 PolarHBondContact O-N 3Å; V651-G654 PolarHBondContact O-N 3.46Å
652	N	90.1	Very high	96.6	Very high	118 Å²	118	25 Å²	25	63%	0.631	11%	0.114	S	C	*	.	H	α-helix	trans	-69	-30.2	-171	-65.2	-14.8	0	0	0	113.1	T648	T648-N652 PolarHBondContact O-N 3.15Å
653	Y	93.9	Very high	96.7	Very high	68 Å²	68	25 Å²	25	27%	0.267	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.9	27.3	-178.9	-63.2	-92.6	0	0	0	111.4	T521 H649 V651 G655 R656 Y657 Y660	T521-Y653 HydrophobicContact CG2-CD1 4.01Å; T521-Y653 HydrophobicContact CG2-CE1 3.79Å; H649-Y653 AromaticContact CD2-CD2 3.44Å; H649-Y653 VanDerWaalsContact CD2-CD2 3.44Å; H649-Y653 WeakPolarHBondContact CD2-CD2 3.41Å; H649-Y653 AromaticContact CD2-CE2 4Å; H649-Y653 CarbonylContact O-C 3.51Å; H649-Y653 VanDerWaalsContact O-CA 3.32Å; H649-Y653 WeakPolarHBondContact O-CA 3.46Å; H649-Y653 PolarHBondContact O-N 3.27Å; V651-Y653 VanDerWaalsContact C-N 3.31Å; V651-Y653 PolarHBondContact O-N 3Å; Y653-G655 PolarHBondContact O-N 2.95Å; Y653-R656 CarbonylContact O-C 3.55Å; Y653-R656 WeakPolarHBondContact O-CA 3.07Å; Y653-R656 WeakPolarHBondContact O-CB 3.42Å; Y653-R656 PolarHBondContact O-N 3.38Å; Y653-Y657 PolarHBondContact O-N 2.95Å; Y653-Y657 VanDerWaalsContact O-N 3.15Å; Y653-Y660 HydrophobicContact CD1-CE2 4.18Å; Y653-Y660 HydrophobicContact CE1-CE2 4.26Å; Y653-Y660 AromaticContact CE1-CZ 3.99Å; Y653-Y660 WeakPolarHBondContact CE1-OH 3.37Å; Y653-Y660 WeakPolarHBondContact CE2-OH 3.42Å; Y653-Y660 HydrophobicContact CG-CE2 4.35Å; Y653-Y660 PolarHBondContact OH-OH 2.93Å; Y653-Y660 VanDerWaalsContact OH-OH 3.13Å
654	G	96.5	Very high	96.7	Very high	4 Å²	4	25.9 Å²	25.9	4%	0.041	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	126.9	-176.3	0	0	0	0	0	111.8	Y285 H649 L650 V651 R656	Y285-G654 WeakPolarHBondContact CE1-O 3.37Å; H649-G654 PolarHBondContact O-N 2.94Å; H649-G654 VanDerWaalsContact O-N 3.14Å; L650-G654 WeakPolarHBondContact O-CA 3.21Å; V651-G654 PolarHBondContact O-N 3.46Å; G654-R656 PolarHBondContact O-N 3.12Å
655	G	96.9	Very high	96.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	9.5	-173.8	0	0	0	0	0	114.5	D587 Q588 H591 Y653	D587-G655 PolarHBondContact OD1-N 3.47Å; D587-G655 VanDerWaalsContact OD2-CA 3.22Å; D587-G655 WeakPolarHBondContact OD2-CA 3.45Å; D587-G655 PolarHBondContact OD2-N 3.23Å; Q588-G655 VanDerWaalsContact NE2-C 3.27Å; Q588-G655 PolarHBondContact NE2-O 3.5Å; H591-G655 PolarHBondContact ND1-N 3.08Å; Y653-G655 PolarHBondContact O-N 2.95Å
656	R	97.2	Very high	96.6	Very high	94 Å²	94	25.7 Å²	25.7	36%	0.355	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132.6	1.4	-175.5	-59.6	-177.2	175.4	166.5	0.3	113.4	A289 D587 Y653 G654 Y658 A659	A289-R656 HydrophobicContact CB-CG 3.99Å; A289-R656 PolarHBondContact O-NE 2.99Å; D587-R656 PolarHBondContact OD2-N 3.12Å; D587-R656 VanDerWaalsContact OD2-N 3.09Å; Y653-R656 CarbonylContact O-C 3.55Å; Y653-R656 WeakPolarHBondContact O-CA 3.07Å; Y653-R656 WeakPolarHBondContact O-CB 3.42Å; Y653-R656 PolarHBondContact O-N 3.38Å; G654-R656 PolarHBondContact O-N 3.12Å; R656-Y658 PolarHBondContact O-N 3.32Å; R656-Y658 VanDerWaalsContact O-N 3.12Å; R656-A659 WeakPolarHBondContact O-CB 3.43Å; R656-A659 PolarHBondContact O-N 3.17Å
657	Y	98.1	Very high	96.5	Very high	24 Å²	24	24.5 Å²	24.5	9%	0.094	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.6	-174.5	-172.7	-109.7	0	0	0	113.7	Q580 A584 D587 F647 H649 Y653 A659 Y660	Q580-Y657 HydrophobicContact CG-CE1 3.89Å; A584-Y657 HydrophobicContact CB-CD1 4Å; D587-Y657 WeakPolarHBondContact OD2-CB 3.2Å; D587-Y657 PolarHBondContact OD2-N 3.21Å; D587-Y657 VanDerWaalsContact OD2-N 3.08Å; F647-Y657 HydrophobicContact CE1-CD1 4.35Å; F647-Y657 HydrophobicContact CE1-CG 4.45Å; F647-Y657 HydrophobicContact CE2-CD2 4.36Å; F647-Y657 HydrophobicContact CE2-CE1 4.22Å; F647-Y657 AromaticContact CE2-CE2 3.93Å; F647-Y657 HydrophobicContact CE2-CE2 3.93Å; F647-Y657 AromaticContact CE2-CZ 3.83Å; F647-Y657 AromaticContact CZ-CD1 3.63Å; F647-Y657 HydrophobicContact CZ-CD1 3.63Å; F647-Y657 AromaticContact CZ-CD2 3.8Å; F647-Y657 HydrophobicContact CZ-CD2 3.8Å; F647-Y657 AromaticContact CZ-CE1 3.57Å; F647-Y657 HydrophobicContact CZ-CE1 3.57Å; F647-Y657 AromaticContact CZ-CE2 3.74Å; F647-Y657 HydrophobicContact CZ-CE2 3.74Å; F647-Y657 AromaticContact CZ-CG 3.73Å; F647-Y657 HydrophobicContact CZ-CG 3.73Å; F647-Y657 AromaticContact CZ-CZ 3.61Å; H649-Y657 HydrophobicContact CB-CD2 3.5Å; H649-Y657 VanDerWaalsContact CB-CD2 3.5Å; H649-Y657 HydrophobicContact CB-CE2 3.87Å; H649-Y657 HydrophobicContact CB-CG 4.27Å; H649-Y657 AromaticContact CD2-CD2 3.5Å; H649-Y657 AromaticContact CD2-CE2 3.43Å; H649-Y657 VanDerWaalsContact CD2-CE2 3.43Å; H649-Y657 WeakPolarHBondContact CD2-CE2 3.36Å; H649-Y657 AromaticContact CG-CD2 3.51Å; H649-Y657 AromaticContact CG-CE2 3.43Å; H649-Y657 VanDerWaalsContact CG-CE2 3.43Å; H649-Y657 AromaticContact ND1-CE2 3.8Å; H649-Y657 AromaticContact NE2-CE2 3.81Å; Y653-Y657 PolarHBondContact O-N 2.95Å; Y653-Y657 VanDerWaalsContact O-N 3.15Å; Y657-A659 PolarHBondContact O-N 3.05Å; Y657-Y660 AromaticContact CD2-CD2 3.78Å; Y657-Y660 HydrophobicContact CD2-CD2 3.78Å; Y657-Y660 AromaticContact CD2-CE2 3.96Å; Y657-Y660 HydrophobicContact CD2-CE2 3.96Å; Y657-Y660 AromaticContact CE2-CD2 3.78Å; Y657-Y660 HydrophobicContact CE2-CD2 3.78Å; Y657-Y660 HydrophobicContact CE2-CE2 4Å
658	Y	98.1	Very high	96.4	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.008	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.6	172.8	74.4	-91.3	0	0	0	113.3	T290 S293 A295 V301 R656 Y660 L661 M662	T290-Y658 HydrophobicContact CG2-CE1 3.89Å; S293-Y658 VanDerWaalsContact CB-OH 3.27Å; S293-Y658 WeakPolarHBondContact CB-OH 3.38Å; S293-Y658 PolarHBondContact OG-OH 3.46Å; A295-Y658 HydrophobicContact CB-CD2 4.41Å; A295-Y658 HydrophobicContact CB-CE2 3.52Å; V301-Y658 HydrophobicContact CB-CD1 4.34Å; V301-Y658 HydrophobicContact CB-CG 4.29Å; V301-Y658 HydrophobicContact CG1-CD1 3.62Å; V301-Y658 HydrophobicContact CG1-CD2 4.03Å; V301-Y658 HydrophobicContact CG1-CE1 4.34Å; V301-Y658 HydrophobicContact CG1-CG 3.44Å; V301-Y658 VanDerWaalsContact CG1-CG 3.44Å; V301-Y658 HydrophobicContact CG2-CD1 3.68Å; V301-Y658 HydrophobicContact CG2-CD2 3.79Å; V301-Y658 HydrophobicContact CG2-CE1 3.53Å; V301-Y658 HydrophobicContact CG2-CE2 3.68Å; V301-Y658 HydrophobicContact CG2-CG 3.81Å; R656-Y658 PolarHBondContact O-N 3.32Å; R656-Y658 VanDerWaalsContact O-N 3.12Å; Y658-Y660 PolarHBondContact O-N 3.42Å; Y658-L661 PolarHBondContact O-N 3.23Å; Y658-M662 HydrophobicContact CD2-CB 4.42Å; Y658-M662 HydrophobicContact CD2-CE 4.15Å; Y658-M662 HydrophobicContact CD2-SD 4.45Å; Y658-M662 HydrophobicContact CE2-CE 4.3Å; Y658-M662 HydrophobicContact CE2-SD 4.22Å; Y658-M662 PolarHBondContact O-N 2.83Å; Y658-M662 VanDerWaalsContact O-N 3.08Å
659	A	97.4	Very high	96.4	Very high	1 Å²	1	24 Å²	24	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-57.7	-34.5	-174.4	0	0	0	0	0	112	T521 D522 R656 Y657 L661 M662 A663	T521-A659 HydrophobicContact CG2-CB 3.93Å; D522-A659 HydrophobicContact CB-CB 3.99Å; R656-A659 WeakPolarHBondContact O-CB 3.43Å; R656-A659 PolarHBondContact O-N 3.17Å; Y657-A659 PolarHBondContact O-N 3.05Å; A659-L661 PolarHBondContact O-N 2.93Å; A659-M662 PolarHBondContact O-N 3.22Å; A659-A663 WeakPolarHBondContact O-CB 3.26Å; A659-A663 PolarHBondContact O-N 2.94Å
660	Y	97.2	Very high	96.4	Very high	45 Å²	45	21.8 Å²	21.8	18%	0.176	10%	0.099	C	C	.	.	H	α-helix	trans	-60.6	-44.5	175.1	-71.5	-67.5	0	0	0	112.9	E525 H649 Y653 Y657 Y658 K664	E525-Y660 HydrophobicContact CG-CD1 4.09Å; E525-Y660 HydrophobicContact CG-CE1 4.02Å; H649-Y660 AromaticContact CD2-CE2 3.78Å; H649-Y660 AromaticContact NE2-CE2 3.89Å; Y653-Y660 HydrophobicContact CD1-CE2 4.18Å; Y653-Y660 HydrophobicContact CE1-CE2 4.26Å; Y653-Y660 AromaticContact CE1-CZ 3.99Å; Y653-Y660 WeakPolarHBondContact CE1-OH 3.37Å; Y653-Y660 WeakPolarHBondContact CE2-OH 3.42Å; Y653-Y660 HydrophobicContact CG-CE2 4.35Å; Y653-Y660 PolarHBondContact OH-OH 2.93Å; Y653-Y660 VanDerWaalsContact OH-OH 3.13Å; Y657-Y660 AromaticContact CD2-CD2 3.78Å; Y657-Y660 HydrophobicContact CD2-CD2 3.78Å; Y657-Y660 AromaticContact CD2-CE2 3.96Å; Y657-Y660 HydrophobicContact CD2-CE2 3.96Å; Y657-Y660 AromaticContact CE2-CD2 3.78Å; Y657-Y660 HydrophobicContact CE2-CD2 3.78Å; Y657-Y660 HydrophobicContact CE2-CE2 4Å; Y658-Y660 PolarHBondContact O-N 3.42Å; Y660-K664 WeakPolarHBondContact O-CB 3.3Å; Y660-K664 PolarHBondContact O-N 3.3Å
661	L	98.1	Very high	96.3	Very high	1 Å²	1	23 Å²	23	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-71.2	-35.8	179	-72.5	179.6	0	0	0	111.6	F304 L305 V577 Q580 A581 Y658 A659 K664 A665 L731	F304-L661 HydrophobicContact CE1-CB 3.78Å; F304-L661 HydrophobicContact CZ-CB 4.07Å; L305-L661 HydrophobicContact CD2-CD1 3.98Å; V577-L661 HydrophobicContact CG1-CD2 3.88Å; Q580-L661 HydrophobicContact CB-CD1 4.4Å; Q580-L661 HydrophobicContact CB-CD2 4.39Å; Q580-L661 HydrophobicContact CG-CD1 4.18Å; Q580-L661 HydrophobicContact CG-CD2 4.11Å; Q580-L661 HydrophobicContact CG-CG 4.1Å; Q580-L661 VanDerWaalsContact OE1-CD2 3.29Å; A581-L661 HydrophobicContact CB-CD1 3.96Å; Y658-L661 PolarHBondContact O-N 3.23Å; A659-L661 PolarHBondContact O-N 2.93Å; L661-K664 PolarHBondContact O-N 3.37Å; L661-A665 WeakPolarHBondContact O-CB 3.46Å; L661-A665 PolarHBondContact O-N 3.04Å; L661-L731 HydrophobicContact CD2-CD2 4.38Å
662	M	97.5	Very high	96.1	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-72.6	-37.5	178.5	-157.9	175.1	-85	0	0	111.9	L294 A295 F304 Y658 A659 A665 G666 L727	L294-M662 HydrophobicContact CB-SD 3.94Å; L294-M662 HydrophobicContact CD2-CG 3.71Å; L294-M662 HydrophobicContact CD2-SD 3.93Å; L294-M662 HydrophobicContact CG-CG 4.19Å; L294-M662 HydrophobicContact CG-SD 3.71Å; A295-M662 HydrophobicContact CB-CE 3.79Å; A295-M662 HydrophobicContact CB-SD 3.92Å; F304-M662 HydrophobicContact CB-CE 3.83Å; F304-M662 HydrophobicContact CD1-CE 3.92Å; F304-M662 HydrophobicContact CD2-CE 4.2Å; F304-M662 HydrophobicContact CE1-CB 4.32Å; F304-M662 HydrophobicContact CG-CE 3.72Å; F304-M662 HydrophobicContact CZ-CB 4.34Å; Y658-M662 HydrophobicContact CD2-CB 4.42Å; Y658-M662 HydrophobicContact CD2-CE 4.15Å; Y658-M662 HydrophobicContact CD2-SD 4.45Å; Y658-M662 HydrophobicContact CE2-CE 4.3Å; Y658-M662 HydrophobicContact CE2-SD 4.22Å; Y658-M662 PolarHBondContact O-N 2.83Å; Y658-M662 VanDerWaalsContact O-N 3.08Å; A659-M662 PolarHBondContact O-N 3.22Å; M662-A665 WeakPolarHBondContact O-CB 3.48Å; M662-A665 PolarHBondContact O-N 2.92Å; M662-G666 PolarHBondContact O-N 3.37Å; M662-L727 HydrophobicContact CG-CD1 3.9Å; M662-L727 HydrophobicContact SD-CD1 4.16Å
663	A	97.1	Very high	96.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-59.7	-46.9	169.5	0	0	0	0	0	111.2	D522 E525 L526 A659 A665 G666 A667	D522-A663 VanDerWaalsContact O-CB 3.25Å; D522-A663 WeakPolarHBondContact O-CB 3.47Å; E525-A663 HydrophobicContact CB-CB 3.49Å; E525-A663 VanDerWaalsContact CB-CB 3.49Å; L526-A663 HydrophobicContact CB-CB 4.46Å; A659-A663 WeakPolarHBondContact O-CB 3.26Å; A659-A663 PolarHBondContact O-N 2.94Å; A663-A665 VanDerWaalsContact C-N 3.32Å; A663-A665 PolarHBondContact O-N 2.63Å; A663-G666 PolarHBondContact O-N 2.86Å; A663-A667 WeakPolarHBondContact O-CB 3.39Å; A663-A667 PolarHBondContact O-N 2.91Å
664	K	96.8	Very high	96.4	Very high	48 Å²	48	21.9 Å²	21.9	21%	0.209	9%	0.089	C	C	.	.	H	α-helix	trans	-61	-39.6	175.4	-169.3	167.6	-175	166.5	0	112.4	T529 Y660 L661 N668 L731	T529-K664 HydrophobicContact CG2-CB 3.98Å; T529-K664 HydrophobicContact CG2-CG 3.92Å; Y660-K664 WeakPolarHBondContact O-CB 3.3Å; Y660-K664 PolarHBondContact O-N 3.3Å; L661-K664 PolarHBondContact O-N 3.37Å; K664-N668 VanDerWaalsContact O-CB 3.24Å; K664-N668 WeakPolarHBondContact O-CB 3.32Å; K664-N668 PolarHBondContact O-N 2.91Å; K664-N668 PolarHBondContact O-ND2 3.26Å; K664-N668 PolarHBondContact O-OD1 2.94Å; K664-L731 HydrophobicContact CB-CD1 4.48Å; K664-L731 HydrophobicContact CD-CD1 4.27Å; K664-L731 HydrophobicContact CG-CD1 3.97Å
665	A	97.1	Very high	96.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.3	-49.9	173.1	0	0	0	0	0	112.1	F304 L661 M662 A663 N668 L669 L727 L731	F304-A665 HydrophobicContact CE2-CB 3.93Å; F304-A665 HydrophobicContact CZ-CB 4.17Å; L661-A665 WeakPolarHBondContact O-CB 3.46Å; L661-A665 PolarHBondContact O-N 3.04Å; M662-A665 WeakPolarHBondContact O-CB 3.48Å; M662-A665 PolarHBondContact O-N 2.92Å; A663-A665 VanDerWaalsContact C-N 3.32Å; A663-A665 PolarHBondContact O-N 2.63Å; A665-N668 PolarHBondContact O-N 3.36Å; A665-L669 WeakPolarHBondContact O-CG 3.42Å; A665-L669 PolarHBondContact O-N 3.26Å; A665-L727 HydrophobicContact CB-CB 4.14Å; A665-L727 HydrophobicContact CB-CD2 3.97Å; A665-L727 VanDerWaalsContact CB-O 3.31Å; A665-L727 WeakPolarHBondContact CB-O 3.31Å; A665-L731 HydrophobicContact CB-CB 3.87Å
666	G	95.9	Very high	96.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-61.6	-45.9	177.1	0	0	0	0	0	112.6	M662 A663 N668 L669 V670	M662-G666 PolarHBondContact O-N 3.37Å; A663-G666 PolarHBondContact O-N 2.86Å; G666-N668 VanDerWaalsContact C-N 3.32Å; G666-N668 PolarHBondContact O-N 3.22Å; G666-L669 PolarHBondContact O-N 2.81Å; G666-V670 WeakPolarHBondContact O-CG2 3.48Å; G666-V670 PolarHBondContact O-N 2.77Å
667	A	96	Very high	96.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-58.8	-42.7	176.1	0	0	0	0	0	112	L526 T529 L530 A663 V670 W671	L526-A667 HydrophobicContact CG-CB 4.45Å; T529-A667 HydrophobicContact CG2-CB 3.95Å; L530-A667 HydrophobicContact CB-CB 3.97Å; L530-A667 WeakPolarHBondContact CD1-O 3.38Å; A663-A667 WeakPolarHBondContact O-CB 3.39Å; A663-A667 PolarHBondContact O-N 2.91Å; A667-V670 PolarHBondContact O-N 3.28Å; A667-W671 WeakPolarHBondContact O-CB 3.35Å; A667-W671 PolarHBondContact O-N 3.45Å
668	N	95.3	Very high	96.2	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.011	14%	0.139	C	C	.	.	H	α-helix	trans	-64.6	-41.6	177.8	-77.1	-0.3	0	0	0	112.8	H533 K664 A665 G666 W671 R672 Q734	H533-N668 PolarHBondContact CE1-OD1 3.03Å; H533-N668 PolarHBondContact NE2-OD1 3.31Å; K664-N668 VanDerWaalsContact O-CB 3.24Å; K664-N668 WeakPolarHBondContact O-CB 3.32Å; K664-N668 PolarHBondContact O-N 2.91Å; K664-N668 PolarHBondContact O-ND2 3.26Å; K664-N668 PolarHBondContact O-OD1 2.94Å; A665-N668 PolarHBondContact O-N 3.36Å; G666-N668 VanDerWaalsContact C-N 3.32Å; G666-N668 PolarHBondContact O-N 3.22Å; N668-W671 PolarHBondContact O-N 3.25Å; N668-R672 WeakPolarHBondContact O-CB 3.48Å; N668-R672 VanDerWaalsContact O-CG 3.3Å; N668-R672 WeakPolarHBondContact O-CG 3.47Å; N668-R672 PolarHBondContact O-N 3.27Å; N668-Q734 PolarHBondContact ND2-OE1 3.06Å; N668-Q734 PolarHBondContact OD1-NE2 3.13Å; N668-Q734 PolarHBondContact OD1-OE1 3.02Å
669	L	95	Very high	96.2	Very high	33 Å²	33	30.8 Å²	30.8	17%	0.173	14%	0.138	C	C	.	.	H	α-helix	trans	-61	-46.4	174.5	-72.6	171.7	0	0	0	111.2	A665 G666 R672 R673 L709 L722 L727	A665-L669 WeakPolarHBondContact O-CG 3.42Å; A665-L669 PolarHBondContact O-N 3.26Å; G666-L669 PolarHBondContact O-N 2.81Å; L669-R672 PolarHBondContact O-N 3.29Å; L669-R673 VanDerWaalsContact O-CB 3.26Å; L669-R673 WeakPolarHBondContact O-CB 3.47Å; L669-R673 PolarHBondContact O-N 3.45Å; L669-L709 HydrophobicContact CB-CD1 4.02Å; L669-L709 HydrophobicContact CB-CD2 4.15Å; L669-L709 HydrophobicContact CD1-CD1 3.98Å; L669-L722 HydrophobicContact CD1-CD1 4.2Å; L669-L722 HydrophobicContact CD1-CD2 3.97Å; L669-L727 HydrophobicContact CD1-CD2 4.09Å
670	V	95.6	Very high	96.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.7	-47.8	177.2	173.7	0	0	0	0	110.9	L530 G666 A667 R672 R673 Y674 F675 Y688 L705 L708 L709	L530-V670 HydrophobicContact CD1-CB 4.21Å; L530-V670 HydrophobicContact CD1-CG1 4Å; L530-V670 HydrophobicContact CD2-CG1 3.76Å; G666-V670 WeakPolarHBondContact O-CG2 3.48Å; G666-V670 PolarHBondContact O-N 2.77Å; A667-V670 PolarHBondContact O-N 3.28Å; V670-R672 PolarHBondContact O-N 2.89Å; V670-R673 PolarHBondContact O-N 3.29Å; V670-Y674 HydrophobicContact CG1-CD2 4.14Å; V670-Y674 WeakPolarHBondContact O-CB 3.05Å; V670-Y674 PolarHBondContact O-N 3.4Å; V670-F675 HydrophobicContact CG1-CD2 4.35Å; V670-F675 HydrophobicContact CG1-CE2 3.95Å; V670-Y688 HydrophobicContact CG1-CD2 4.11Å; V670-Y688 HydrophobicContact CG1-CE2 4.27Å; V670-L705 HydrophobicContact CG2-CD1 3.97Å; V670-L708 HydrophobicContact CG1-CD2 4.41Å; V670-L708 HydrophobicContact CG2-CD2 3.65Å; V670-L709 HydrophobicContact CG2-CD2 4.31Å
671	W	95.6	Very high	96.3	Very high	26 Å²	26	32.5 Å²	32.5	10%	0.098	15%	0.148	C	C	.	.	I	π-helix	trans	-56	-52.9	177	176.6	-102.5	0	0	0	111.8	L530 H533 F534 A667 N668 R673 Y674 F675 S676 P679	L530-W671 HydrophobicContact CD1-CB 3.83Å; L530-W671 HydrophobicContact CD1-CE3 4.4Å; H533-W671 HydrophobicContact CB-CD2 3.46Å; H533-W671 VanDerWaalsContact CB-CD2 3.46Å; H533-W671 HydrophobicContact CB-CE3 3.29Å; H533-W671 HydrophobicContact CB-CG 4.16Å; H533-W671 HydrophobicContact CB-CH2 3.73Å; H533-W671 HydrophobicContact CB-CZ2 3.89Å; H533-W671 HydrophobicContact CB-CZ3 3.42Å; H533-W671 VanDerWaalsContact CB-CZ3 3.42Å; H533-W671 AromaticContact CD2-CG 3.94Å; H533-W671 AromaticContact CG-CD2 3.7Å; H533-W671 AromaticContact CG-CE3 3.95Å; H533-W671 AromaticContact CG-CG 3.85Å; F534-W671 HydrophobicContact CD1-CH2 4.28Å; F534-W671 AromaticContact CD1-CZ3 3.73Å; F534-W671 HydrophobicContact CD1-CZ3 3.73Å; F534-W671 HydrophobicContact CD2-CE3 4.41Å; F534-W671 AromaticContact CD2-CZ3 3.78Å; F534-W671 HydrophobicContact CD2-CZ3 3.78Å; F534-W671 HydrophobicContact CE1-CE3 4.47Å; F534-W671 HydrophobicContact CE1-CH2 4.46Å; F534-W671 AromaticContact CE1-CZ3 3.64Å; F534-W671 HydrophobicContact CE1-CZ3 3.64Å; F534-W671 HydrophobicContact CE2-CE3 4.04Å; F534-W671 AromaticContact CE2-CZ3 3.72Å; F534-W671 HydrophobicContact CE2-CZ3 3.72Å; F534-W671 HydrophobicContact CG-CH2 4.44Å; F534-W671 AromaticContact CG-CZ3 3.81Å; F534-W671 HydrophobicContact CG-CZ3 3.81Å; F534-W671 HydrophobicContact CZ-CE3 4.08Å; F534-W671 AromaticContact CZ-CZ3 3.65Å; F534-W671 HydrophobicContact CZ-CZ3 3.65Å; A667-W671 WeakPolarHBondContact O-CB 3.35Å; A667-W671 PolarHBondContact O-N 3.45Å; N668-W671 PolarHBondContact O-N 3.25Å; W671-R673 VanDerWaalsContact C-N 3.31Å; W671-R673 PolarHBondContact O-N 3.39Å; W671-Y674 PolarHBondContact O-N 3.07Å; W671-F675 HydrophobicContact CD2-CB 4.06Å; W671-F675 HydrophobicContact CE3-CB 3.48Å; W671-F675 VanDerWaalsContact CE3-CB 3.48Å; W671-F675 HydrophobicContact CE3-CD2 4.48Å; W671-F675 HydrophobicContact CE3-CG 4.33Å; W671-F675 HydrophobicContact CH2-CB 4.43Å; W671-F675 HydrophobicContact CZ3-CB 3.7Å; W671-F675 CarbonylContact O-C 3.5Å; W671-F675 PolarHBondContact O-N 3.39Å; W671-S676 PolarHBondContact O-N 3Å; W671-P679 HydrophobicContact CH2-CB 4.03Å; W671-P679 HydrophobicContact CZ3-CB 4.49Å
672	R	93.9	Very high	96.2	Very high	69 Å²	69	35.1 Å²	35.1	26%	0.26	17%	0.166	S	C	.	.	I	π-helix	trans	-55.7	-47.5	179.1	-78.7	178.3	174.6	-99.3	-39.7	111.7	N668 L669 V670 S676 E737	N668-R672 WeakPolarHBondContact O-CB 3.48Å; N668-R672 VanDerWaalsContact O-CG 3.3Å; N668-R672 WeakPolarHBondContact O-CG 3.47Å; N668-R672 PolarHBondContact O-N 3.27Å; L669-R672 PolarHBondContact O-N 3.29Å; V670-R672 PolarHBondContact O-N 2.89Å; R672-S676 PolarHBondContact O-OG 3.17Å; R672-E737 IonicContact CZ-OE1 2.81Å; R672-E737 IonicContact CZ-OE2 3.84Å; R672-E737 IonicContact NH1-OE1 3.45Å; R672-E737 PolarHBondContact NH1-OE1 3.17Å; R672-E737 IonicContact NH1-OE2 3.86Å; R672-E737 IonicContact NH2-OE1 2.97Å; R672-E737 PolarHBondContact NH2-OE1 3.49Å; R672-E737 IonicContact NH2-OE2 2.74Å; R672-E737 PolarHBondContact NH2-OE2 3.34Å
673	R	93.1	Very high	96.2	Very high	95 Å²	95	39.3 Å²	39.3	36%	0.358	20%	0.196	S	C	.	.	I	π-helix	trans	-69.6	-39.7	-174.4	-173.2	59.4	166.1	80.4	3.3	112.8	L669 V670 W671 L709 D712	L669-R673 VanDerWaalsContact O-CB 3.26Å; L669-R673 WeakPolarHBondContact O-CB 3.47Å; L669-R673 PolarHBondContact O-N 3.45Å; V670-R673 PolarHBondContact O-N 3.29Å; W671-R673 VanDerWaalsContact C-N 3.31Å; W671-R673 PolarHBondContact O-N 3.39Å; R673-L709 HydrophobicContact CB-CD2 4.45Å; R673-D712 IonicContact CZ-OD2 3.53Å; R673-D712 VanDerWaalsContact CZ-OD2 3.22Å; R673-D712 IonicContact NH1-OD2 2.79Å; R673-D712 PolarHBondContact NH1-OD2 3Å; R673-D712 IonicContact NH2-OD2 2.71Å; R673-D712 PolarHBondContact NH2-OD2 2.97Å
674	Y	96.3	Very high	96.2	Very high	15 Å²	15	40.1 Å²	40.1	6%	0.059	20%	0.201	C	C	.	.	I	π-helix	trans	-118.2	-28	-162.3	-70.1	-58.6	0	0	0	115.3	V670 W671 S684 L687 L708 L709	V670-Y674 HydrophobicContact CG1-CD2 4.14Å; V670-Y674 WeakPolarHBondContact O-CB 3.05Å; V670-Y674 PolarHBondContact O-N 3.4Å; W671-Y674 PolarHBondContact O-N 3.07Å; Y674-S684 WeakPolarHBondContact O-CB 3.49Å; Y674-S684 PolarHBondContact O-OG 3.35Å; Y674-L687 HydrophobicContact CE1-CD2 3.71Å; Y674-L708 HydrophobicContact CE2-CD1 3.8Å; Y674-L708 HydrophobicContact CE2-CG 4.03Å; Y674-L708 PolarHBondContact OH-O 3.31Å; Y674-L709 HydrophobicContact CE2-CD2 4.42Å
675	F	97.4	Very high	96.3	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	19%	0.191	C	C	.	.	I	π-helix	trans	-126.1	-18	-168.4	-58.1	-66	0	0	0	114.2	L390 L530 F534 V670 W671 K677 D678 P679 Y688	L390-F675 HydrophobicContact CD2-CD1 4.42Å; L390-F675 HydrophobicContact CD2-CE1 3.96Å; L530-F675 HydrophobicContact CD1-CD2 4.36Å; L530-F675 HydrophobicContact CD2-CE2 4.2Å; F534-F675 HydrophobicContact CE1-CB 4.24Å; F534-F675 HydrophobicContact CE1-CD1 4.07Å; F534-F675 HydrophobicContact CE1-CG 4.13Å; F534-F675 HydrophobicContact CZ-CB 4.07Å; F534-F675 AromaticContact CZ-CD1 3.87Å; F534-F675 HydrophobicContact CZ-CD1 3.87Å; F534-F675 AromaticContact CZ-CD2 3.96Å; F534-F675 HydrophobicContact CZ-CD2 3.96Å; F534-F675 HydrophobicContact CZ-CE1 4.31Å; F534-F675 HydrophobicContact CZ-CE2 4.39Å; F534-F675 AromaticContact CZ-CG 3.68Å; F534-F675 HydrophobicContact CZ-CG 3.68Å; V670-F675 HydrophobicContact CG1-CD2 4.35Å; V670-F675 HydrophobicContact CG1-CE2 3.95Å; W671-F675 HydrophobicContact CD2-CB 4.06Å; W671-F675 HydrophobicContact CE3-CB 3.48Å; W671-F675 VanDerWaalsContact CE3-CB 3.48Å; W671-F675 HydrophobicContact CE3-CD2 4.48Å; W671-F675 HydrophobicContact CE3-CG 4.33Å; W671-F675 HydrophobicContact CH2-CB 4.43Å; W671-F675 HydrophobicContact CZ3-CB 3.7Å; W671-F675 CarbonylContact O-C 3.5Å; W671-F675 PolarHBondContact O-N 3.39Å; F675-K677 VanDerWaalsContact C-N 3.32Å; F675-K677 PolarHBondContact O-N 2.97Å; F675-D678 CarbonylContact O-C 3.54Å; F675-D678 PolarHBondContact O-N 2.58Å; F675-P679 WeakPolarHBondContact O-CA 3.22Å; F675-P679 VanDerWaalsContact O-N 3.09Å; F675-Y688 HydrophobicContact CZ-CD1 4.49Å
676	S	94.5	Very high	96.3	Very high	44 Å²	44	39.4 Å²	39.4	31%	0.308	20%	0.199	S	C	.	.	S	Bend	trans	-58.3	-42.1	-178.3	67.1	0	0	0	0	112.9	R539 W671 R672	R539-S676 PolarHBondContact NH1-O 3.18Å; R539-S676 PolarHBondContact NH2-O 3.24Å; W671-S676 PolarHBondContact O-N 3Å; R672-S676 PolarHBondContact O-OG 3.17Å
677	K	95.8	Very high	96.3	Very high	194 Å²	194	41.4 Å²	41.4	84%	0.843	21%	0.209	S	C	*	.	S	Bend	trans	-73.7	-40.8	177.7	-68.1	-179	-178.3	173.1	0	112.3	R539 F675	R539-K677 PolarHBondContact NH1-O 2.78Å; F675-K677 VanDerWaalsContact C-N 3.32Å; F675-K677 PolarHBondContact O-N 2.97Å
678	D	97.6	Very high	96.4	Very high	72 Å²	72	41.6 Å²	41.6	39%	0.385	21%	0.21	S	C	.	.			trans	-147.2	105.1	179.1	179.4	14.5	0	0	0	110.4	F675 W680 C681	F675-D678 CarbonylContact O-C 3.54Å; F675-D678 PolarHBondContact O-N 2.58Å; D678-W680 PolarHBondContact O-N 3.28Å; D678-W680 WeakPolarHBondContact OD1-CA 3.23Å; D678-W680 WeakPolarHBondContact OD1-CB 3.46Å; D678-W680 PolarHBondContact OD1-N 3.33Å; D678-C681 HydrophobicContact CB-CB 4.12Å; D678-C681 VanDerWaalsContact O-CB 3.31Å; D678-C681 WeakPolarHBondContact O-CB 3.4Å; D678-C681 PolarHBondContact O-N 3.33Å; D678-C681 PolarHBondContact OD2-N 3.06Å
679	P	97.6	Very high	96.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-7.8	179.7	31.3	-34.9	0	0	0	111.7	F534 R539 V540 W671 F675	F534-P679 HydrophobicContact CD1-CB 3.94Å; F534-P679 HydrophobicContact CE1-CB 4.05Å; F534-P679 VanDerWaalsContact CE1-O 3.29Å; F534-P679 WeakPolarHBondContact CE1-O 3.45Å; R539-P679 HydrophobicContact CB-CG 4.18Å; V540-P679 HydrophobicContact CG2-CB 3.79Å; V540-P679 HydrophobicContact CG2-CG 3.77Å; W671-P679 HydrophobicContact CH2-CB 4.03Å; W671-P679 HydrophobicContact CZ3-CB 4.49Å; F675-P679 WeakPolarHBondContact O-CA 3.22Å; F675-P679 VanDerWaalsContact O-N 3.09Å
680	W	97.9	Very high	96.5	Very high	56 Å²	56	45.9 Å²	45.9	21%	0.212	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	12.3	176.4	-60.8	109	0	0	0	112.5	Q385 L386 C389 R539 V540 E543 D678 S682	Q385-W680 HydrophobicContact CB-CH2 3.79Å; Q385-W680 HydrophobicContact CB-CZ3 3.96Å; L386-W680 HydrophobicContact CD2-CE3 3.9Å; L386-W680 HydrophobicContact CD2-CH2 3.94Å; L386-W680 HydrophobicContact CD2-CZ3 3.58Å; L386-W680 HydrophobicContact CG-CH2 4.09Å; L386-W680 HydrophobicContact CG-CZ3 3.93Å; C389-W680 HydrophobicContact CB-CE3 3.73Å; C389-W680 HydrophobicContact CB-CZ3 4.08Å; C389-W680 PolarHBondContact SG-O 3.45Å; R539-W680 PolarHBondContact O-NE1 3.35Å; R539-W680 VanDerWaalsContact O-NE1 3.14Å; V540-W680 HydrophobicContact CB-CZ2 4.12Å; V540-W680 HydrophobicContact CG1-CH2 4.14Å; V540-W680 HydrophobicContact CG1-CZ2 3.82Å; V540-W680 HydrophobicContact CG2-CZ2 4.17Å; E543-W680 HydrophobicContact CB-CZ2 3.99Å; E543-W680 HydrophobicContact CG-CZ2 3.91Å; D678-W680 PolarHBondContact O-N 3.28Å; D678-W680 WeakPolarHBondContact OD1-CA 3.23Å; D678-W680 WeakPolarHBondContact OD1-CB 3.46Å; D678-W680 PolarHBondContact OD1-N 3.33Å; W680-S682 PolarHBondContact O-N 2.97Å
681	C	97.9	Very high	96.5	Very high	25 Å²	25	48.4 Å²	48.4	17%	0.169	24%	0.24	C	C	.	.			trans	-67.8	96.5	-177.9	-174.4	0	0	0	0	111.9	D678 S683 S684 G685	D678-C681 HydrophobicContact CB-CB 4.12Å; D678-C681 VanDerWaalsContact O-CB 3.31Å; D678-C681 WeakPolarHBondContact O-CB 3.4Å; D678-C681 PolarHBondContact O-N 3.33Å; D678-C681 PolarHBondContact OD2-N 3.06Å; C681-S683 PolarHBondContact O-N 3.04Å; C681-S683 PolarHBondContact SG-OG 2.83Å; C681-S684 WeakPolarHBondContact O-CB 3.3Å; C681-S684 PolarHBondContact O-N 3.21Å; C681-S684 VanDerWaalsContact SG-CB 3.59Å; C681-S684 PolarHBondContact SG-OG 3.16Å; C681-G685 PolarHBondContact O-N 3.44Å
682	S	97	Very high	96.6	Very high	57 Å²	57	47.2 Å²	47.2	40%	0.399	24%	0.236	S	C	.	.	H	α-helix	trans	-59.9	-41.2	-177.7	-169	0	0	0	0	113	C389 W680 S684 G685 Q686	C389-S682 VanDerWaalsContact O-CB 3.22Å; C389-S682 WeakPolarHBondContact O-CB 3.47Å; C389-S682 PolarHBondContact O-OG 3.07Å; W680-S682 PolarHBondContact O-N 2.97Å; S682-S684 VanDerWaalsContact C-N 3.29Å; S682-S684 PolarHBondContact O-N 3.36Å; S682-G685 PolarHBondContact O-N 3.06Å; S682-G685 VanDerWaalsContact O-N 3.16Å; S682-Q686 WeakPolarHBondContact O-CG 3.35Å; S682-Q686 PolarHBondContact O-N 2.8Å
683	S	97.2	Very high	96.8	Very high	89 Å²	89	44 Å²	44	62%	0.622	22%	0.224	S	C	*	.	H	α-helix	trans	-61.4	-38.5	177.4	46.3	0	0	0	0	112.4	C681 Q686 L687	C681-S683 PolarHBondContact O-N 3.04Å; C681-S683 PolarHBondContact SG-OG 2.83Å; S683-Q686 PolarHBondContact O-N 2.94Å; S683-L687 PolarHBondContact O-N 2.89Å
684	S	97.4	Very high	97	Very high	17 Å²	17	40.9 Å²	40.9	12%	0.119	22%	0.216	C	C	.	.	H	α-helix	trans	-68.2	-40.3	174.6	-69	0	0	0	0	112.1	Y674 C681 S682 L687 Y688	Y674-S684 WeakPolarHBondContact O-CB 3.49Å; Y674-S684 PolarHBondContact O-OG 3.35Å; C681-S684 WeakPolarHBondContact O-CB 3.3Å; C681-S684 PolarHBondContact O-N 3.21Å; C681-S684 VanDerWaalsContact SG-CB 3.59Å; C681-S684 PolarHBondContact SG-OG 3.16Å; S682-S684 VanDerWaalsContact C-N 3.29Å; S682-S684 PolarHBondContact O-N 3.36Å; S684-L687 PolarHBondContact O-N 3.35Å; S684-Y688 WeakPolarHBondContact O-CB 3.49Å; S684-Y688 PolarHBondContact O-N 3.29Å
685	G	97.8	Very high	97.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.9	-43.1	172.3	0	0	0	0	0	112.8	L390 F391 C681 S682 Y688 M689	L390-G685 CarbonylContact O-C 3.43Å; F391-G685 WeakPolarHBondContact CE1-O 3.39Å; C681-G685 PolarHBondContact O-N 3.44Å; S682-G685 PolarHBondContact O-N 3.06Å; S682-G685 VanDerWaalsContact O-N 3.16Å; G685-Y688 PolarHBondContact O-N 3.48Å; G685-M689 WeakPolarHBondContact O-CB 3.43Å; G685-M689 PolarHBondContact O-N 3.07Å
686	Q	97.1	Very high	97	Very high	32 Å²	32	42.2 Å²	42.2	15%	0.15	22%	0.223	C	C	.	.	H	α-helix	trans	-65.1	-45.9	176.6	-66.5	-58.5	-55.8	0	0	112	L390 F391 S682 S683 Y688 M689 E690	L390-Q686 PolarHBondContact O-N 3.05Å; L390-Q686 PolarHBondContact O-NE2 3.24Å; F391-Q686 VanDerWaalsContact C-NE2 3.33Å; F391-Q686 VanDerWaalsContact CA-NE2 3.31Å; F391-Q686 PolarHBondContact O-NE2 3.31Å; S682-Q686 WeakPolarHBondContact O-CG 3.35Å; S682-Q686 PolarHBondContact O-N 2.8Å; S683-Q686 PolarHBondContact O-N 2.94Å; Q686-Y688 PolarHBondContact O-N 3.49Å; Q686-M689 PolarHBondContact O-N 3.16Å; Q686-E690 WeakPolarHBondContact O-CB 3.38Å; Q686-E690 VanDerWaalsContact O-CG 3.27Å; Q686-E690 WeakPolarHBondContact O-CG 3.35Å; Q686-E690 PolarHBondContact O-N 3.07Å
687	L	96.9	Very high	97.1	Very high	42 Å²	42	40.2 Å²	40.2	22%	0.22	21%	0.209	C	C	.	.	H	α-helix	trans	-60.8	-45.1	177	-176.2	66.1	0	0	0	111.4	Y674 S683 S684 M689 E690 K691 L708 C711	Y674-L687 HydrophobicContact CE1-CD2 3.71Å; S683-L687 PolarHBondContact O-N 2.89Å; S684-L687 PolarHBondContact O-N 3.35Å; L687-M689 VanDerWaalsContact C-N 3.34Å; L687-M689 PolarHBondContact O-N 2.73Å; L687-E690 PolarHBondContact O-N 3.39Å; L687-K691 HydrophobicContact CD1-CG 3.72Å; L687-K691 HydrophobicContact CG-CG 4.25Å; L687-K691 VanDerWaalsContact O-CB 3.3Å; L687-K691 WeakPolarHBondContact O-CB 3.5Å; L687-K691 WeakPolarHBondContact O-CG 3.44Å; L687-K691 PolarHBondContact O-N 3.43Å; L687-L708 HydrophobicContact CG-CD1 4.39Å; L687-C711 HydrophobicContact CD2-CB 4.45Å
688	Y	97.8	Very high	97.1	Very high	5 Å²	5	31.8 Å²	31.8	2%	0.02	17%	0.173	C	C	.	.	H	α-helix	trans	-58.6	-44.8	176.1	174.2	-129.3	0	0	0	112.4	F391 L526 P527 L530 V670 F675 S684 G685 Q686 L692 L693 L708	F391-Y688 HydrophobicContact CE1-CD1 4.05Å; F391-Y688 HydrophobicContact CZ-CD1 4.07Å; F391-Y688 HydrophobicContact CZ-CE1 4.37Å; L526-Y688 HydrophobicContact CD2-CE2 4.27Å; P527-Y688 WeakPolarHBondContact CA-OH 3.47Å; P527-Y688 WeakPolarHBondContact CB-OH 3.37Å; L530-Y688 HydrophobicContact CD2-CD1 4.07Å; L530-Y688 HydrophobicContact CD2-CE1 3.43Å; L530-Y688 VanDerWaalsContact CD2-CE1 3.43Å; L530-Y688 HydrophobicContact CD2-CE2 4.01Å; L530-Y688 VanDerWaalsContact CD2-CZ 3.4Å; V670-Y688 HydrophobicContact CG1-CD2 4.11Å; V670-Y688 HydrophobicContact CG1-CE2 4.27Å; F675-Y688 HydrophobicContact CZ-CD1 4.49Å; S684-Y688 WeakPolarHBondContact O-CB 3.49Å; S684-Y688 PolarHBondContact O-N 3.29Å; G685-Y688 PolarHBondContact O-N 3.48Å; Q686-Y688 PolarHBondContact O-N 3.49Å; Y688-L692 HydrophobicContact CD2-CB 4.21Å; Y688-L692 HydrophobicContact CE2-CB 4.11Å; Y688-L692 HydrophobicContact CE2-CD1 4.13Å; Y688-L692 HydrophobicContact CE2-CD2 3.91Å; Y688-L692 HydrophobicContact CE2-CG 4.27Å; Y688-L692 WeakPolarHBondContact O-CB 3.44Å; Y688-L692 PolarHBondContact O-N 3Å; Y688-L693 HydrophobicContact CD1-CD1 3.87Å; Y688-L693 HydrophobicContact CD1-CG 4.22Å; Y688-L693 HydrophobicContact CE1-CD1 3.54Å; Y688-L693 HydrophobicContact CE1-CD2 3.96Å; Y688-L693 HydrophobicContact CE1-CG 3.78Å; Y688-L693 HydrophobicContact CE2-CD2 4.4Å; Y688-L693 HydrophobicContact CE2-CG 4.37Å; Y688-L693 PolarHBondContact O-N 3.43Å; Y688-L693 WeakPolarHBondContact OH-CD2 3.42Å; Y688-L708 HydrophobicContact CD2-CD2 3.69Å; Y688-L708 HydrophobicContact CE2-CD2 4.18Å
689	M	97	Very high	97	Very high	23 Å²	23	32.4 Å²	32.4	11%	0.113	17%	0.17	C	C	.	.	H	α-helix	trans	-63.6	-47.3	176	176	-161	65.2	0	0	111.9	F391 L506 G685 Q686 L687 L693 C694	F391-M689 HydrophobicContact CD1-CB 3.87Å; F391-M689 HydrophobicContact CD1-CG 4.46Å; F391-M689 HydrophobicContact CE1-CB 4.09Å; L506-M689 HydrophobicContact CB-CG 4.29Å; L506-M689 HydrophobicContact CD1-CG 4.23Å; L506-M689 HydrophobicContact CD2-CG 4.15Å; L506-M689 HydrophobicContact CD2-SD 3.77Å; L506-M689 HydrophobicContact CG-CG 4.46Å; G685-M689 WeakPolarHBondContact O-CB 3.43Å; G685-M689 PolarHBondContact O-N 3.07Å; Q686-M689 PolarHBondContact O-N 3.16Å; L687-M689 VanDerWaalsContact C-N 3.34Å; L687-M689 PolarHBondContact O-N 2.73Å; M689-L693 PolarHBondContact O-N 3.31Å; M689-C694 VanDerWaalsContact O-CB 3.32Å; M689-C694 WeakPolarHBondContact O-CB 3.34Å; M689-C694 PolarHBondContact O-N 2.83Å
690	E	96	Very high	96.9	Very high	101 Å²	101	33.8 Å²	33.8	47%	0.472	18%	0.179	S	C	.	.	H	α-helix	trans	-67.8	-36.1	-176.1	-74.2	173.9	-173.5	0	0	112.5	Q686 L687 C694 H695	Q686-E690 WeakPolarHBondContact O-CB 3.38Å; Q686-E690 VanDerWaalsContact O-CG 3.27Å; Q686-E690 WeakPolarHBondContact O-CG 3.35Å; Q686-E690 PolarHBondContact O-N 3.07Å; L687-E690 PolarHBondContact O-N 3.39Å; E690-C694 PolarHBondContact O-SG 2.86Å; E690-H695 PolarHBondContact O-NE2 3.47Å
691	K	95.8	Very high	96.8	Very high	53 Å²	53	31.3 Å²	31.3	23%	0.23	17%	0.17	C	C	.	.	H	α-helix	trans	-91.8	-22.2	-175.3	-67.6	-64.1	-158.3	154.5	0	114.7	L687 L704 D707 L708 C711	L687-K691 HydrophobicContact CD1-CG 3.72Å; L687-K691 HydrophobicContact CG-CG 4.25Å; L687-K691 VanDerWaalsContact O-CB 3.3Å; L687-K691 WeakPolarHBondContact O-CB 3.5Å; L687-K691 WeakPolarHBondContact O-CG 3.44Å; L687-K691 PolarHBondContact O-N 3.43Å; K691-L704 WeakPolarHBondContact O-CD2 3.28Å; K691-D707 VanDerWaalsContact CD-OD2 3.31Å; K691-D707 WeakPolarHBondContact CD-OD2 3.39Å; K691-D707 IonicContact NZ-OD1 3.88Å; K691-D707 PolarHBondContact NZ-OD1 2.61Å; K691-D707 IonicContact NZ-OD2 2.69Å; K691-D707 PolarHBondContact NZ-OD2 3.5Å; K691-L708 HydrophobicContact CB-CB 4.1Å; K691-L708 HydrophobicContact CB-CD1 3.95Å; K691-L708 HydrophobicContact CG-CD1 4.47Å; K691-C711 VanDerWaalsContact CE-SG 3.5Å
692	L	97.4	Very high	96.5	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.6	-63.2	-174.9	-167.7	150.8	0	0	0	112.2	L523 L526 P527 Y688 C694 H695 L705 L708	L523-L692 HydrophobicContact CD1-CD1 4.41Å; L523-L692 HydrophobicContact CD1-CD2 4.16Å; L523-L692 HydrophobicContact CD1-CG 4.32Å; L526-L692 HydrophobicContact CD1-CD1 4.44Å; L526-L692 HydrophobicContact CD2-CD1 4.13Å; L526-L692 HydrophobicContact CD2-CD2 4.38Å; P527-L692 HydrophobicContact CG-CD2 4.34Å; Y688-L692 HydrophobicContact CD2-CB 4.21Å; Y688-L692 HydrophobicContact CE2-CB 4.11Å; Y688-L692 HydrophobicContact CE2-CD1 4.13Å; Y688-L692 HydrophobicContact CE2-CD2 3.91Å; Y688-L692 HydrophobicContact CE2-CG 4.27Å; Y688-L692 WeakPolarHBondContact O-CB 3.44Å; Y688-L692 PolarHBondContact O-N 3Å; L692-C694 VanDerWaalsContact C-N 3.35Å; L692-C694 PolarHBondContact O-N 3.22Å; L692-H695 PolarHBondContact O-N 3.39Å; L692-L705 HydrophobicContact CD1-CD1 4.36Å; L692-L708 HydrophobicContact CB-CD2 4.2Å; L692-L708 HydrophobicContact CD1-CD2 3.87Å
693	L	98.1	Very high	96.4	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.01	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-64.8	-35.9	-169.3	-58.7	178.8	0	0	0	113.6	F391 H503 L506 A507 P527 Y688 M689 H695	F391-L693 HydrophobicContact CE1-CD1 4.01Å; F391-L693 HydrophobicContact CZ-CD1 3.95Å; H503-L693 HydrophobicContact CB-CD2 4.17Å; L506-L693 HydrophobicContact CB-CB 4.13Å; L506-L693 HydrophobicContact CD1-CD1 3.6Å; A507-L693 VanDerWaalsContact CA-O 3.31Å; A507-L693 WeakPolarHBondContact CA-O 3.4Å; A507-L693 PolarHBondContact N-O 2.69Å; P527-L693 HydrophobicContact CB-CD2 3.82Å; P527-L693 HydrophobicContact CG-CD2 3.55Å; Y688-L693 HydrophobicContact CD1-CD1 3.87Å; Y688-L693 HydrophobicContact CD1-CG 4.22Å; Y688-L693 HydrophobicContact CE1-CD1 3.54Å; Y688-L693 HydrophobicContact CE1-CD2 3.96Å; Y688-L693 HydrophobicContact CE1-CG 3.78Å; Y688-L693 HydrophobicContact CE2-CD2 4.4Å; Y688-L693 HydrophobicContact CE2-CG 4.37Å; Y688-L693 PolarHBondContact O-N 3.43Å; Y688-L693 WeakPolarHBondContact OH-CD2 3.42Å; M689-L693 PolarHBondContact O-N 3.31Å; L693-H695 PolarHBondContact O-N 2.78Å
694	C	97	Very high	96.3	Very high	30 Å²	30	27.8 Å²	27.8	20%	0.203	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-68.1	-20.6	-176.4	83.3	0	0	0	0	112.9	R508 M689 E690 L692	R508-C694 PolarHBondContact N-O 3.27Å; M689-C694 VanDerWaalsContact O-CB 3.32Å; M689-C694 WeakPolarHBondContact O-CB 3.34Å; M689-C694 PolarHBondContact O-N 2.83Å; E690-C694 PolarHBondContact O-SG 2.86Å; L692-C694 VanDerWaalsContact C-N 3.35Å; L692-C694 PolarHBondContact O-N 3.22Å
695	H	97.3	Very high	96.1	Very high	44 Å²	44	27 Å²	27	20%	0.204	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-91.6	-18.2	-174.7	-67.2	-52.9	0	0	0	114.5	T509 E690 L692 L693 G697 E698 Y699 L704	T509-H695 VanDerWaalsContact CG2-O 3.23Å; T509-H695 WeakPolarHBondContact CG2-O 3.44Å; E690-H695 PolarHBondContact O-NE2 3.47Å; L692-H695 PolarHBondContact O-N 3.39Å; L693-H695 PolarHBondContact O-N 2.78Å; H695-G697 PolarHBondContact O-N 2.96Å; H695-G697 VanDerWaalsContact O-N 3.14Å; H695-E698 IonicContact ND1-OE2 3.36Å; H695-E698 VanDerWaalsContact O-CB 3.26Å; H695-E698 WeakPolarHBondContact O-CB 3.33Å; H695-E698 WeakPolarHBondContact O-CG 3.26Å; H695-E698 PolarHBondContact O-N 3.47Å; H695-Y699 HydrophobicContact CB-CD2 4.03Å; H695-Y699 AromaticContact CE1-CE2 3.87Å; H695-Y699 AromaticContact CG-CD2 3.87Å; H695-Y699 AromaticContact CG-CE2 4Å; H695-Y699 AromaticContact ND1-CD2 3.84Å; H695-Y699 AromaticContact ND1-CE2 3.48Å; H695-Y699 WeakPolarHBondContact ND1-CE2 3.42Å; H695-L704 HydrophobicContact CB-CD1 4.39Å; H695-L704 HydrophobicContact CB-CD2 3.87Å
696	G	95.9	Very high	95.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	-123.4	-172.4	0	0	0	0	0	111.3	L523	L523-G696 WeakPolarHBondContact CD2-O 3.23Å
697	G	96.1	Very high	95.7	Very high	2 Å²	2	29 Å²	29	2%	0.021	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	7.6	175.3	0	0	0	0	0	116.6	R171 V514 H695 Y699	R171-G697 PolarHBondContact NE-O 2.9Å; R171-G697 PolarHBondContact NH2-O 3.33Å; V514-G697 PolarHBondContact O-N 3.2Å; H695-G697 PolarHBondContact O-N 2.96Å; H695-G697 VanDerWaalsContact O-N 3.14Å; G697-Y699 PolarHBondContact O-N 3.25Å; G697-Y699 VanDerWaalsContact O-N 3.1Å
698	E	95.8	Very high	95.6	Very high	16 Å²	16	27 Å²	27	8%	0.075	14%	0.135	C	C	.	.	S	Bend	trans	-60.4	-21.7	-175.2	-76.1	-171.6	152.2	0	0	114.5	V168 R171 T509 R510 V514 H695	V168-E698 HydrophobicContact CG1-CB 4.3Å; V168-E698 HydrophobicContact CG1-CG 4.06Å; R171-E698 WeakPolarHBondContact CD-O 3.42Å; R171-E698 PolarHBondContact NE-O 3.46Å; T509-E698 VanDerWaalsContact CA-OE1 3.22Å; T509-E698 WeakPolarHBondContact CA-OE1 3.33Å; T509-E698 WeakPolarHBondContact CB-OE1 3.48Å; T509-E698 HydrophobicContact CG2-CG 3.75Å; R510-E698 WeakPolarHBondContact CB-OE1 3.36Å; R510-E698 PolarHBondContact N-OE1 3.06Å; V514-E698 HydrophobicContact CG2-CG 3.61Å; H695-E698 IonicContact ND1-OE2 3.36Å; H695-E698 VanDerWaalsContact O-CB 3.26Å; H695-E698 WeakPolarHBondContact O-CB 3.33Å; H695-E698 WeakPolarHBondContact O-CG 3.26Å; H695-E698 PolarHBondContact O-N 3.47Å
699	Y	96.1	Very high	95.3	Very high	86 Å²	86	28 Å²	28	34%	0.337	14%	0.14	S	C	.	.	S	Bend	trans	-130.5	157.2	178.5	-61.7	-86.3	0	0	0	110.6	V168 R171 H695 G697 L704	V168-Y699 HydrophobicContact CG2-CE1 4.18Å; V168-Y699 HydrophobicContact CG2-CE2 4.32Å; V168-Y699 WeakPolarHBondContact CG2-OH 3.26Å; R171-Y699 PolarHBondContact NE-O 3.2Å; R171-Y699 PolarHBondContact NH2-O 3.02Å; H695-Y699 HydrophobicContact CB-CD2 4.03Å; H695-Y699 AromaticContact CE1-CE2 3.87Å; H695-Y699 AromaticContact CG-CD2 3.87Å; H695-Y699 AromaticContact CG-CE2 4Å; H695-Y699 AromaticContact ND1-CD2 3.84Å; H695-Y699 AromaticContact ND1-CE2 3.48Å; H695-Y699 WeakPolarHBondContact ND1-CE2 3.42Å; G697-Y699 PolarHBondContact O-N 3.25Å; G697-Y699 VanDerWaalsContact O-N 3.1Å; Y699-L704 HydrophobicContact CD2-CD2 4.13Å; Y699-L704 HydrophobicContact CG-CD2 4.28Å
700	P	94.9	Very high	94.7	Very high	29 Å²	29	29 Å²	29	19%	0.188	15%	0.145	C	C	.	.			trans	-56.4	134.7	176.7	-25.4	34.9	0	0	0	111.9	R171 A702 I703 L704	R171-P700 VanDerWaalsContact CZ-N 3.32Å; P700-A702 VanDerWaalsContact C-N 3.26Å; P700-A702 PolarHBondContact O-N 3.09Å; P700-I703 HydrophobicContact CB-CB 4.35Å; P700-I703 HydrophobicContact CB-CD1 4.08Å; P700-I703 HydrophobicContact CB-CG1 4.06Å; P700-I703 HydrophobicContact CG-CD1 3.77Å; P700-I703 HydrophobicContact CG-CG1 4.31Å; P700-I703 PolarHBondContact O-N 2.94Å; P700-L704 PolarHBondContact O-N 2.87Å; P700-L704 VanDerWaalsContact O-N 3.07Å
701	P	95.4	Very high	93	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.019	14%	0.139	C	C	.	.	H	α-helix	trans	-54.2	-41	-177.9	-26.1	32.5	0	0	0	113.5	L294 S520 L523 I703 L704 L705	L294-P701 HydrophobicContact CB-CB 3.97Å; L294-P701 HydrophobicContact CD1-CB 4.06Å; S520-P701 WeakPolarHBondContact OG-CG 3.38Å; L523-P701 HydrophobicContact CB-CB 4.18Å; L523-P701 HydrophobicContact CB-CG 4.23Å; L523-P701 HydrophobicContact CD2-CB 4.16Å; L523-P701 HydrophobicContact CD2-CG 4.06Å; P701-I703 VanDerWaalsContact C-N 3.31Å; P701-I703 PolarHBondContact O-N 3.33Å; P701-L704 PolarHBondContact O-N 2.98Å; P701-L705 WeakPolarHBondContact O-CB 3.42Å; P701-L705 PolarHBondContact O-N 3.44Å
702	A	93.4	Very high	91	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.033	15%	0.151	C	C	.	.	H	α-helix	trans	-62.5	-37.9	178.6	0	0	0	0	0	112.4	L294 P700 S706 L721	L294-A702 HydrophobicContact CD1-CB 3.96Å; P700-A702 VanDerWaalsContact C-N 3.26Å; P700-A702 PolarHBondContact O-N 3.09Å; A702-S706 VanDerWaalsContact O-CB 3.28Å; A702-S706 WeakPolarHBondContact O-CB 3.18Å; A702-S706 PolarHBondContact O-N 3.23Å; A702-S706 PolarHBondContact O-OG 2.91Å; A702-L721 HydrophobicContact CB-CD1 4.22Å; A702-L721 HydrophobicContact CB-CD2 3.87Å; A702-L721 HydrophobicContact CB-CG 4.08Å
703	I	93.5	Very high	88.7	Confident	87 Å²	87	33.3 Å²	33.3	45%	0.446	18%	0.178	S	C	.	.	H	α-helix	trans	-69.5	-46.9	177.3	-63.5	-178.4	0	0	0	110.2	P700 P701 L705 S706 D707 L721	P700-I703 HydrophobicContact CB-CB 4.35Å; P700-I703 HydrophobicContact CB-CD1 4.08Å; P700-I703 HydrophobicContact CB-CG1 4.06Å; P700-I703 HydrophobicContact CG-CD1 3.77Å; P700-I703 HydrophobicContact CG-CG1 4.31Å; P700-I703 PolarHBondContact O-N 2.94Å; P701-I703 VanDerWaalsContact C-N 3.31Å; P701-I703 PolarHBondContact O-N 3.33Å; I703-L705 VanDerWaalsContact C-N 3.34Å; I703-L705 PolarHBondContact O-N 2.87Å; I703-S706 PolarHBondContact O-N 3.45Å; I703-D707 VanDerWaalsContact O-CB 3.3Å; I703-D707 WeakPolarHBondContact O-CB 3.32Å; I703-D707 PolarHBondContact O-N 3.19Å; I703-L721 HydrophobicContact CG1-CD1 4Å
704	L	95.1	Very high	86	Confident	6 Å²	6	42.8 Å²	42.8	3%	0.031	22%	0.222	C	C	.	.	H	α-helix	trans	-58	-46.9	178.6	-70.4	173.7	0	0	0	111.6	L523 K691 H695 Y699 P700 P701 L708	L523-L704 HydrophobicContact CD2-CD1 3.92Å; K691-L704 WeakPolarHBondContact O-CD2 3.28Å; H695-L704 HydrophobicContact CB-CD1 4.39Å; H695-L704 HydrophobicContact CB-CD2 3.87Å; Y699-L704 HydrophobicContact CD2-CD2 4.13Å; Y699-L704 HydrophobicContact CG-CD2 4.28Å; P700-L704 PolarHBondContact O-N 2.87Å; P700-L704 VanDerWaalsContact O-N 3.07Å; P701-L704 PolarHBondContact O-N 2.98Å; L704-L708 WeakPolarHBondContact O-CB 3.42Å; L704-L708 PolarHBondContact O-N 3.07Å
705	L	94.3	Very high	83.5	Confident	2 Å²	2	49 Å²	49	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-71	-38.4	-178.4	-172.4	57.9	0	0	0	112.2	L294 L526 V670 L692 P701 I703 L709 L722 L727	L294-L705 HydrophobicContact CD1-CD2 4.45Å; L294-L705 HydrophobicContact CD2-CD2 4.16Å; L526-L705 HydrophobicContact CD1-CD1 3.98Å; L526-L705 HydrophobicContact CD1-CD2 4.23Å; V670-L705 HydrophobicContact CG2-CD1 3.97Å; L692-L705 HydrophobicContact CD1-CD1 4.36Å; P701-L705 WeakPolarHBondContact O-CB 3.42Å; P701-L705 PolarHBondContact O-N 3.44Å; I703-L705 VanDerWaalsContact C-N 3.34Å; I703-L705 PolarHBondContact O-N 2.87Å; L705-L709 HydrophobicContact CD1-CD1 4.01Å; L705-L709 HydrophobicContact CD1-CG 4.34Å; L705-L709 HydrophobicContact CG-CD1 4Å; L705-L709 WeakPolarHBondContact O-CB 3.39Å; L705-L709 VanDerWaalsContact O-CG 3.27Å; L705-L709 WeakPolarHBondContact O-CG 3.44Å; L705-L709 PolarHBondContact O-N 2.76Å; L705-L709 VanDerWaalsContact O-N 3.08Å; L705-L722 HydrophobicContact CD2-CD2 3.59Å; L705-L722 HydrophobicContact CG-CD2 3.95Å; L705-L727 HydrophobicContact CD2-CD2 4.02Å
706	S	93.5	Very high	80.9	Confident	6 Å²	6	49.3 Å²	49.3	4%	0.042	26%	0.258	C	S	.	.	H	α-helix	trans	-67.6	-47.4	177	-51.3	0	0	0	0	111.2	A702 I703 L708 L709 D710 L722	A702-S706 VanDerWaalsContact O-CB 3.28Å; A702-S706 WeakPolarHBondContact O-CB 3.18Å; A702-S706 PolarHBondContact O-N 3.23Å; A702-S706 PolarHBondContact O-OG 2.91Å; I703-S706 PolarHBondContact O-N 3.45Å; S706-L708 VanDerWaalsContact C-N 3.27Å; S706-L708 PolarHBondContact O-N 3.43Å; S706-L709 PolarHBondContact O-N 2.92Å; S706-D710 WeakPolarHBondContact O-CB 3.03Å; S706-D710 VanDerWaalsContact O-CG 3.26Å; S706-D710 PolarHBondContact O-N 3.24Å; S706-L722 PolarHBondContact OG-N 3.17Å
707	D	92.6	Very high	78.2	Confident	68 Å²	68	55.3 Å²	55.3	36%	0.364	30%	0.301	S	S	.	.	H	α-helix	trans	-60.6	-37	177.4	-178.4	43.8	0	0	0	111.8	K691 I703 C711	K691-D707 VanDerWaalsContact CD-OD2 3.31Å; K691-D707 WeakPolarHBondContact CD-OD2 3.39Å; K691-D707 IonicContact NZ-OD1 3.88Å; K691-D707 PolarHBondContact NZ-OD1 2.61Å; K691-D707 IonicContact NZ-OD2 2.69Å; K691-D707 PolarHBondContact NZ-OD2 3.5Å; I703-D707 VanDerWaalsContact O-CB 3.3Å; I703-D707 WeakPolarHBondContact O-CB 3.32Å; I703-D707 PolarHBondContact O-N 3.19Å; D707-C711 PolarHBondContact O-SG 3.46Å
708	L	94.3	Very high	75.8	Confident	0 Å²	0	62 Å²	62	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-64.4	-38.7	172.1	173.3	62.5	0	0	0	112.4	V670 Y674 L687 Y688 K691 L692 L704 S706	V670-L708 HydrophobicContact CG1-CD2 4.41Å; V670-L708 HydrophobicContact CG2-CD2 3.65Å; Y674-L708 HydrophobicContact CE2-CD1 3.8Å; Y674-L708 HydrophobicContact CE2-CG 4.03Å; Y674-L708 PolarHBondContact OH-O 3.31Å; L687-L708 HydrophobicContact CG-CD1 4.39Å; Y688-L708 HydrophobicContact CD2-CD2 3.69Å; Y688-L708 HydrophobicContact CE2-CD2 4.18Å; K691-L708 HydrophobicContact CB-CB 4.1Å; K691-L708 HydrophobicContact CB-CD1 3.95Å; K691-L708 HydrophobicContact CG-CD1 4.47Å; L692-L708 HydrophobicContact CB-CD2 4.2Å; L692-L708 HydrophobicContact CD1-CD2 3.87Å; L704-L708 WeakPolarHBondContact O-CB 3.42Å; L704-L708 PolarHBondContact O-N 3.07Å; S706-L708 VanDerWaalsContact C-N 3.27Å; S706-L708 PolarHBondContact O-N 3.43Å
709	L	91.7	Very high	73.8	Confident	26 Å²	26	68.7 Å²	68.7	14%	0.136	37%	0.368	C	S	.	.	H	α-helix	trans	-85.6	-24.5	-174.8	-67.5	171.9	0	0	0	113.5	L669 V670 R673 Y674 L705 S706 L722	L669-L709 HydrophobicContact CB-CD1 4.02Å; L669-L709 HydrophobicContact CB-CD2 4.15Å; L669-L709 HydrophobicContact CD1-CD1 3.98Å; V670-L709 HydrophobicContact CG2-CD2 4.31Å; R673-L709 HydrophobicContact CB-CD2 4.45Å; Y674-L709 HydrophobicContact CE2-CD2 4.42Å; L705-L709 HydrophobicContact CD1-CD1 4.01Å; L705-L709 HydrophobicContact CD1-CG 4.34Å; L705-L709 HydrophobicContact CG-CD1 4Å; L705-L709 WeakPolarHBondContact O-CB 3.39Å; L705-L709 VanDerWaalsContact O-CG 3.27Å; L705-L709 WeakPolarHBondContact O-CG 3.44Å; L705-L709 PolarHBondContact O-N 2.76Å; L705-L709 VanDerWaalsContact O-N 3.08Å; S706-L709 PolarHBondContact O-N 2.92Å; L709-L722 HydrophobicContact CD1-CD1 4.34Å; L709-L722 HydrophobicContact CD1-CD2 4.12Å
710	D	84.3	Confident	72.4	Confident	42 Å²	42	68.1 Å²	68.1	23%	0.225	37%	0.373	C	S	.	.	H	α-helix	trans	-82.9	-10.6	-176.1	-72.3	-13.9	0	0	0	114.4	S706 D712 D713	S706-D710 WeakPolarHBondContact O-CB 3.03Å; S706-D710 VanDerWaalsContact O-CG 3.26Å; S706-D710 PolarHBondContact O-N 3.24Å; D710-D712 VanDerWaalsContact C-N 3.31Å; D710-D712 PolarHBondContact O-N 2.67Å; D710-D713 PolarHBondContact O-N 3.42Å
711	C	61.2	Low	71.6	Confident	49 Å²	49	70.9 Å²	70.9	33%	0.331	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-15.8	-165.3	-84.6	0	0	0	0	118.5	L687 K691 D707	L687-C711 HydrophobicContact CD2-CB 4.45Å; K691-C711 VanDerWaalsContact CE-SG 3.5Å; D707-C711 PolarHBondContact O-SG 3.46Å
712	D	52.5	Low	71.1	Confident	93 Å²	93	71.7 Å²	71.7	50%	0.497	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	2.8	177.4	-45.1	-53.9	0	0	0	115.6	R673 D710 E714	R673-D712 IonicContact CZ-OD2 3.53Å; R673-D712 VanDerWaalsContact CZ-OD2 3.22Å; R673-D712 IonicContact NH1-OD2 2.79Å; R673-D712 PolarHBondContact NH1-OD2 3Å; R673-D712 IonicContact NH2-OD2 2.71Å; R673-D712 PolarHBondContact NH2-OD2 2.97Å; D710-D712 VanDerWaalsContact C-N 3.31Å; D710-D712 PolarHBondContact O-N 2.67Å; D712-E714 VanDerWaalsContact C-N 3.31Å; D712-E714 PolarHBondContact O-N 3.22Å
713	D	49.7	Very low	71	Confident	105 Å²	105	73.4 Å²	73.4	56%	0.561	40%	0.402	S	S	*	.			trans	-79.2	86.3	174.2	-78.8	-15.1	0	0	0	108.6	D710 I715 S716	D710-D713 PolarHBondContact O-N 3.42Å; D713-I715 PolarHBondContact O-N 2.98Å; D713-S716 PolarHBondContact O-N 3Å
714	E	42.6	Very low	71.1	Confident	201 Å²	201	70.1 Å²	70.1	94%	0.939	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-6.8	174.9	-75.9	-168.3	161.2	0	0	113.7	D712	D712-E714 VanDerWaalsContact C-N 3.31Å; D712-E714 PolarHBondContact O-N 3.22Å
715	I	43	Very low	71	Confident	161 Å²	161	74.1 Å²	74.1	83%	0.826	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-12.5	-173.3	-56.9	179.6	0	0	0	113.5	D713 S717	D713-I715 PolarHBondContact O-N 2.98Å; I715-S717 PolarHBondContact O-N 3.48Å
716	S	43.8	Very low	70.9	Confident	49 Å²	49	77.8 Å²	77.8	34%	0.343	42%	0.421	S	S	.	.			trans	-100	86	176.1	59.4	0	0	0	0	112.1	D713 Q718	D713-S716 PolarHBondContact O-N 3Å; S716-Q718 PolarHBondContact O-N 3.2Å
717	S	39.4	Very low	70.9	Confident	127 Å²	127	77.7 Å²	77.7	89%	0.888	42%	0.42	S	S	*	.			trans	-70.9	20.1	165.8	54.8	0	0	0	0	113.9	I715	I715-S717 PolarHBondContact O-N 3.48Å
718	Q	46	Very low	71.1	Confident	142 Å²	142	74.5 Å²	74.5	66%	0.664	40%	0.403	S	S	*	.	S	Bend	trans	-120.8	116	172.7	-65.4	-176.1	-2.4	0	0	106.4	S716 V720	S716-Q718 PolarHBondContact O-N 3.2Å; Q718-V720 HydrophobicContact CB-CG2 3.89Å; Q718-V720 PolarHBondContact O-N 2.88Å
719	N	53	Low	71	Confident	157 Å²	157	77.1 Å²	77.1	84%	0.84	42%	0.415	S	S	*	.			trans	-61.5	82.7	164.2	-74	-5.1	0	0	0	107.4	L721	N719-L721 PolarHBondContact O-N 2.95Å; N719-L721 VanDerWaalsContact O-N 3.16Å
720	V	66.1	Low	70.9	Confident	73 Å²	73	76.1 Å²	76.1	44%	0.442	41%	0.411	S	S	.	.			trans	-79.2	103	179	178.5	0	0	0	0	106	Q718 L722	Q718-V720 HydrophobicContact CB-CG2 3.89Å; Q718-V720 PolarHBondContact O-N 2.88Å; V720-L722 PolarHBondContact O-N 3.4Å
721	L	78.1	Confident	71.4	Confident	88 Å²	88	74.1 Å²	74.1	46%	0.461	40%	0.4	S	S	.	.			trans	-55.4	133.7	175.4	-152.1	85.4	0	0	0	109.4	A702 I703 N719 S723	A702-L721 HydrophobicContact CB-CD1 4.22Å; A702-L721 HydrophobicContact CB-CD2 3.87Å; A702-L721 HydrophobicContact CB-CG 4.08Å; I703-L721 HydrophobicContact CG1-CD1 4Å; N719-L721 PolarHBondContact O-N 2.95Å; N719-L721 VanDerWaalsContact O-N 3.16Å; L721-S723 PolarHBondContact O-N 3.37Å
722	L	85.2	Confident	73.1	Confident	19 Å²	19	71.9 Å²	71.9	10%	0.099	39%	0.385	C	S	.	.			trans	-58.1	113.1	-179.2	-169.9	70.9	0	0	0	110.4	L669 L705 S706 L709 V720 M726 L727	L669-L722 HydrophobicContact CD1-CD1 4.2Å; L669-L722 HydrophobicContact CD1-CD2 3.97Å; L705-L722 HydrophobicContact CD2-CD2 3.59Å; L705-L722 HydrophobicContact CG-CD2 3.95Å; S706-L722 PolarHBondContact OG-N 3.17Å; L709-L722 HydrophobicContact CD1-CD1 4.34Å; L709-L722 HydrophobicContact CD1-CD2 4.12Å; V720-L722 PolarHBondContact O-N 3.4Å; L722-M726 HydrophobicContact CD1-CB 3.63Å; L722-M726 HydrophobicContact CD1-CE 3.84Å; L722-M726 HydrophobicContact CD1-SD 4.27Å; L722-M726 HydrophobicContact CG-CB 4.33Å; L722-L727 HydrophobicContact CD2-CD1 4.07Å; L722-L727 HydrophobicContact CD2-CD2 3.37Å; L722-L727 HydrophobicContact CD2-CG 3.43Å; L722-L727 VanDerWaalsContact CD2-CG 3.43Å; L722-L727 HydrophobicContact CG-CD1 4.45Å; L722-L727 HydrophobicContact CG-CD2 4.34Å; L722-L727 HydrophobicContact CG-CG 3.88Å
723	S	91.4	Very high	75	Confident	41 Å²	41	70.5 Å²	70.5	29%	0.287	38%	0.378	S	S	.	.			trans	-73.9	154.3	180	66.7	0	0	0	0	111.9	L721 K725 M726 L727	L721-S723 PolarHBondContact O-N 3.37Å; S723-K725 PolarHBondContact O-N 3.4Å; S723-K725 VanDerWaalsContact O-N 3.12Å; S723-M726 PolarHBondContact O-N 2.78Å; S723-M726 VanDerWaalsContact OG-CG 3.28Å; S723-M726 WeakPolarHBondContact OG-CG 3.43Å; S723-M726 PolarHBondContact OG-N 2.98Å; S723-L727 PolarHBondContact O-N 3Å; S723-L727 VanDerWaalsContact O-N 3.12Å
724	P	94.5	Very high	77.1	Confident	17 Å²	17	66.1 Å²	66.1	11%	0.11	35%	0.354	C	S	.	.	H	α-helix	trans	-50.8	-36.6	171.3	-29.1	36.7	0	0	0	112.9	N300 E303 F304 A728	N300-P724 HydrophobicContact CB-CG 3.75Å; N300-P724 WeakPolarHBondContact O-CB 3.38Å; E303-P724 HydrophobicContact CB-CB 4.15Å; E303-P724 HydrophobicContact CG-CB 4.23Å; F304-P724 HydrophobicContact CB-CB 4Å; F304-P724 WeakPolarHBondContact CD2-O 3.45Å; P724-A728 WeakPolarHBondContact O-CB 3.28Å; P724-A728 PolarHBondContact O-N 3.3Å
725	K	93.7	Very high	79.6	Confident	90 Å²	90	56.6 Å²	56.6	39%	0.391	31%	0.309	S	S	.	.	H	α-helix	trans	-64.7	-44.6	175.7	-178.6	177.9	170.4	-163.3	0	113.1	S723 L727 A728 E729	S723-K725 PolarHBondContact O-N 3.4Å; S723-K725 VanDerWaalsContact O-N 3.12Å; K725-L727 VanDerWaalsContact C-N 3.34Å; K725-L727 PolarHBondContact O-N 2.97Å; K725-A728 WeakPolarHBondContact O-CB 3.45Å; K725-A728 PolarHBondContact O-N 3.36Å; K725-E729 WeakPolarHBondContact CE-OE1 2.76Å; K725-E729 IonicContact NZ-OE1 3.5Å; K725-E729 WeakPolarHBondContact O-CG 3.36Å; K725-E729 PolarHBondContact O-N 3.01Å
726	M	91.6	Very high	82	Confident	80 Å²	80	52.8 Å²	52.8	39%	0.394	29%	0.288	S	S	.	.	H	α-helix	trans	-64.8	-38.7	178.6	-71.9	167.6	75.5	0	0	111.8	L722 S723 E729 G730	L722-M726 HydrophobicContact CD1-CB 3.63Å; L722-M726 HydrophobicContact CD1-CE 3.84Å; L722-M726 HydrophobicContact CD1-SD 4.27Å; L722-M726 HydrophobicContact CG-CB 4.33Å; S723-M726 PolarHBondContact O-N 2.78Å; S723-M726 VanDerWaalsContact OG-CG 3.28Å; S723-M726 WeakPolarHBondContact OG-CG 3.43Å; S723-M726 PolarHBondContact OG-N 2.98Å; M726-E729 PolarHBondContact O-N 2.9Å; M726-G730 PolarHBondContact O-N 2.94Å
727	L	94.7	Very high	84.4	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-48.9	170.8	-80.1	163.2	0	0	0	111	L294 F304 M662 A665 L669 L705 L722 S723 K725 E729 G730 L731	L294-L727 HydrophobicContact CD2-CD1 4.21Å; L294-L727 HydrophobicContact CG-CD1 4.31Å; F304-L727 HydrophobicContact CD2-CB 3.94Å; F304-L727 HydrophobicContact CE2-CB 3.93Å; M662-L727 HydrophobicContact CG-CD1 3.9Å; M662-L727 HydrophobicContact SD-CD1 4.16Å; A665-L727 HydrophobicContact CB-CB 4.14Å; A665-L727 HydrophobicContact CB-CD2 3.97Å; A665-L727 VanDerWaalsContact CB-O 3.31Å; A665-L727 WeakPolarHBondContact CB-O 3.31Å; L669-L727 HydrophobicContact CD1-CD2 4.09Å; L705-L727 HydrophobicContact CD2-CD2 4.02Å; L722-L727 HydrophobicContact CD2-CD1 4.07Å; L722-L727 HydrophobicContact CD2-CD2 3.37Å; L722-L727 HydrophobicContact CD2-CG 3.43Å; L722-L727 VanDerWaalsContact CD2-CG 3.43Å; L722-L727 HydrophobicContact CG-CD1 4.45Å; L722-L727 HydrophobicContact CG-CD2 4.34Å; L722-L727 HydrophobicContact CG-CG 3.88Å; S723-L727 PolarHBondContact O-N 3Å; S723-L727 VanDerWaalsContact O-N 3.12Å; K725-L727 VanDerWaalsContact C-N 3.34Å; K725-L727 PolarHBondContact O-N 2.97Å; L727-E729 VanDerWaalsContact C-N 3.33Å; L727-E729 PolarHBondContact O-N 3.17Å; L727-G730 PolarHBondContact O-N 3.09Å; L727-L731 PolarHBondContact O-N 3.44Å; L727-L731 VanDerWaalsContact O-N 3.08Å
728	A	97	Very high	86.9	Confident	0 Å²	0	52 Å²	52	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-40.1	178.8	0	0	0	0	0	112.4	F304 H307 V308 P724 K725 L731 T732	F304-A728 HydrophobicContact CD2-CB 3.8Å; F304-A728 HydrophobicContact CE2-CB 4.07Å; H307-A728 HydrophobicContact CB-CB 3.7Å; V308-A728 HydrophobicContact CG2-CB 3.72Å; P724-A728 WeakPolarHBondContact O-CB 3.28Å; P724-A728 PolarHBondContact O-N 3.3Å; K725-A728 WeakPolarHBondContact O-CB 3.45Å; K725-A728 PolarHBondContact O-N 3.36Å; A728-L731 PolarHBondContact O-N 3.46Å; A728-T732 WeakPolarHBondContact O-CB 3.41Å; A728-T732 VanDerWaalsContact O-CG2 3.29Å; A728-T732 WeakPolarHBondContact O-CG2 3.48Å; A728-T732 PolarHBondContact O-N 2.76Å; A728-T732 PolarHBondContact O-OG1 3.16Å
729	E	92.1	Very high	89.2	Confident	55 Å²	55	45.4 Å²	45.4	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-62.2	-46.7	175	-73.6	174.5	165.1	0	0	111	H307 K725 M726 L727 L731 T732 D733	H307-E729 IonicContact NE2-OE1 2.61Å; K725-E729 WeakPolarHBondContact CE-OE1 2.76Å; K725-E729 IonicContact NZ-OE1 3.5Å; K725-E729 WeakPolarHBondContact O-CG 3.36Å; K725-E729 PolarHBondContact O-N 3.01Å; M726-E729 PolarHBondContact O-N 2.9Å; L727-E729 VanDerWaalsContact C-N 3.33Å; L727-E729 PolarHBondContact O-N 3.17Å; E729-L731 VanDerWaalsContact C-N 3.3Å; E729-L731 PolarHBondContact O-N 2.98Å; E729-T732 PolarHBondContact O-N 2.63Å; E729-T732 VanDerWaalsContact O-N 3.15Å; E729-T732 PolarHBondContact O-OG1 3.12Å; E729-D733 WeakPolarHBondContact O-CB 3.45Å; E729-D733 PolarHBondContact O-N 3.39Å
730	G	88.3	Confident	91.1	Very high	5 Å²	5	42.3 Å²	42.3	5%	0.052	22%	0.217	C	C	.	.	H	α-helix	trans	-57.1	-39.2	175.7	0	0	0	0	0	114.3	M726 L727	M726-G730 PolarHBondContact O-N 2.94Å; L727-G730 PolarHBondContact O-N 3.09Å
731	L	95.7	Very high	92.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-69.4	-48.6	174	178	57.8	0	0	0	111.9	F304 V308 V577 L661 K664 A665 L727 A728 E729 Q734 L735	F304-L731 HydrophobicContact CZ-CD2 4.14Å; V308-L731 HydrophobicContact CG1-CD2 4.44Å; V308-L731 HydrophobicContact CG2-CD2 4.1Å; V577-L731 HydrophobicContact CG1-CD2 4.23Å; L661-L731 HydrophobicContact CD2-CD2 4.38Å; K664-L731 HydrophobicContact CB-CD1 4.48Å; K664-L731 HydrophobicContact CD-CD1 4.27Å; K664-L731 HydrophobicContact CG-CD1 3.97Å; A665-L731 HydrophobicContact CB-CB 3.87Å; L727-L731 PolarHBondContact O-N 3.44Å; L727-L731 VanDerWaalsContact O-N 3.08Å; A728-L731 PolarHBondContact O-N 3.46Å; E729-L731 VanDerWaalsContact C-N 3.3Å; E729-L731 PolarHBondContact O-N 2.98Å; L731-Q734 PolarHBondContact O-N 3.22Å; L731-L735 HydrophobicContact CD1-CD1 3.94Å; L731-L735 HydrophobicContact CD1-CG 4.35Å; L731-L735 HydrophobicContact CG-CD1 3.99Å; L731-L735 VanDerWaalsContact O-CG 3.29Å; L731-L735 WeakPolarHBondContact O-CG 3.46Å; L731-L735 PolarHBondContact O-N 3.15Å
732	T	97	Very high	92.9	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-76.1	-35.6	-169.9	54.1	0	0	0	0	113.6	V308 K311 L312 A728 E729 Q734 L735 E736	V308-T732 HydrophobicContact CB-CG2 4.37Å; V308-T732 HydrophobicContact CG1-CG2 4.23Å; V308-T732 HydrophobicContact CG2-CG2 4.33Å; K311-T732 HydrophobicContact CB-CG2 3.87Å; L312-T732 HydrophobicContact CD1-CG2 4.34Å; L312-T732 HydrophobicContact CD2-CG2 3.8Å; L312-T732 HydrophobicContact CG-CG2 3.73Å; A728-T732 WeakPolarHBondContact O-CB 3.41Å; A728-T732 VanDerWaalsContact O-CG2 3.29Å; A728-T732 WeakPolarHBondContact O-CG2 3.48Å; A728-T732 PolarHBondContact O-N 2.76Å; A728-T732 PolarHBondContact O-OG1 3.16Å; E729-T732 PolarHBondContact O-N 2.63Å; E729-T732 VanDerWaalsContact O-N 3.15Å; E729-T732 PolarHBondContact O-OG1 3.12Å; T732-Q734 VanDerWaalsContact C-N 3.28Å; T732-Q734 PolarHBondContact O-N 2.97Å; T732-L735 PolarHBondContact O-N 2.95Å; T732-E736 PolarHBondContact O-N 3Å
733	D	93.2	Very high	93.1	Very high	65 Å²	65	36.7 Å²	36.7	35%	0.348	19%	0.191	S	C	.	.	H	α-helix	trans	-62.2	-39.2	174.5	-67.6	-10.2	0	0	0	110.7	E729 E736 E737	E729-D733 WeakPolarHBondContact O-CB 3.45Å; E729-D733 PolarHBondContact O-N 3.39Å; D733-E736 PolarHBondContact O-N 3.46Å; D733-E737 WeakPolarHBondContact O-CG 3.48Å; D733-E737 PolarHBondContact O-N 2.92Å
734	Q	92.5	Very high	93	Very high	12 Å²	12	37.1 Å²	37.1	6%	0.056	19%	0.194	C	C	.	.	H	α-helix	trans	-65.1	-45	174.8	-176.9	159.5	-21.4	0	0	113.6	H533 N668 L731 T732 E736 E737 M738	H533-Q734 PolarHBondContact CE1-NE2 3.47Å; N668-Q734 PolarHBondContact ND2-OE1 3.06Å; N668-Q734 PolarHBondContact OD1-NE2 3.13Å; N668-Q734 PolarHBondContact OD1-OE1 3.02Å; L731-Q734 PolarHBondContact O-N 3.22Å; T732-Q734 VanDerWaalsContact C-N 3.28Å; T732-Q734 PolarHBondContact O-N 2.97Å; Q734-E736 VanDerWaalsContact C-N 3.28Å; Q734-E736 PolarHBondContact O-N 2.89Å; Q734-E737 PolarHBondContact O-N 3.43Å; Q734-M738 HydrophobicContact CG-CG 4.34Å; Q734-M738 HydrophobicContact CG-SD 3.85Å; Q734-M738 WeakPolarHBondContact O-CB 3.28Å; Q734-M738 VanDerWaalsContact O-CG 3.26Å; Q734-M738 WeakPolarHBondContact O-CG 2.78Å; Q734-M738 PolarHBondContact O-N 3.43Å
735	L	94.6	Very high	92.7	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-63.8	-37.6	177.6	-66.6	170.9	0	0	0	111.2	L312 Q573 V577 L731 T732 M738 E739	L312-L735 HydrophobicContact CD1-CD1 3.9Å; L312-L735 HydrophobicContact CD2-CB 4.04Å; L312-L735 HydrophobicContact CD2-CD1 3.95Å; Q573-L735 HydrophobicContact CB-CD2 3.64Å; V577-L735 HydrophobicContact CB-CD1 3.88Å; V577-L735 HydrophobicContact CG1-CD1 3.81Å; V577-L735 HydrophobicContact CG2-CD1 3.82Å; V577-L735 HydrophobicContact CG2-CD2 4.25Å; L731-L735 HydrophobicContact CD1-CD1 3.94Å; L731-L735 HydrophobicContact CD1-CG 4.35Å; L731-L735 HydrophobicContact CG-CD1 3.99Å; L731-L735 VanDerWaalsContact O-CG 3.29Å; L731-L735 WeakPolarHBondContact O-CG 3.46Å; L731-L735 PolarHBondContact O-N 3.15Å; T732-L735 PolarHBondContact O-N 2.95Å; L735-M738 PolarHBondContact O-N 2.95Å; L735-E739 WeakPolarHBondContact O-CB 3.31Å; L735-E739 WeakPolarHBondContact O-CG 3.11Å; L735-E739 PolarHBondContact O-N 3.35Å
736	E	95.1	Very high	92.1	Very high	82 Å²	82	32.8 Å²	32.8	38%	0.383	17%	0.174	S	C	.	.	H	α-helix	trans	-61.5	-48.2	174.7	-167.1	171.4	-173.2	0	0	111.7	I315 T732 D733 Q734 M738 E739 M740	I315-E736 HydrophobicContact CD1-CB 3.6Å; I315-E736 HydrophobicContact CD1-CG 3.69Å; I315-E736 HydrophobicContact CG1-CG 4.12Å; T732-E736 PolarHBondContact O-N 3Å; D733-E736 PolarHBondContact O-N 3.46Å; Q734-E736 VanDerWaalsContact C-N 3.28Å; Q734-E736 PolarHBondContact O-N 2.89Å; E736-M738 PolarHBondContact O-N 3.46Å; E736-E739 PolarHBondContact O-N 3.13Å; E736-M740 HydrophobicContact CG-CE 4.1Å; E736-M740 HydrophobicContact CG-SD 4.5Å; E736-M740 WeakPolarHBondContact O-CB 3.43Å; E736-M740 VanDerWaalsContact O-CG 3.3Å; E736-M740 WeakPolarHBondContact O-CG 3.4Å; E736-M740 PolarHBondContact O-N 3Å
737	E	93.7	Very high	91.7	Very high	98 Å²	98	31.9 Å²	31.9	46%	0.458	17%	0.171	S	C	.	.	H	α-helix	trans	-61.1	-44.2	177.4	-75	175.5	-151.1	0	0	112.4	R672 D733 Q734 M740 A741	R672-E737 IonicContact CZ-OE1 2.81Å; R672-E737 IonicContact CZ-OE2 3.84Å; R672-E737 IonicContact NH1-OE1 3.45Å; R672-E737 PolarHBondContact NH1-OE1 3.17Å; R672-E737 IonicContact NH1-OE2 3.86Å; R672-E737 IonicContact NH2-OE1 2.97Å; R672-E737 PolarHBondContact NH2-OE1 3.49Å; R672-E737 IonicContact NH2-OE2 2.74Å; R672-E737 PolarHBondContact NH2-OE2 3.34Å; D733-E737 WeakPolarHBondContact O-CG 3.48Å; D733-E737 PolarHBondContact O-N 2.92Å; Q734-E737 PolarHBondContact O-N 3.43Å; E737-M740 HydrophobicContact CG-CE 4.27Å; E737-M740 PolarHBondContact O-N 3.01Å; E737-A741 WeakPolarHBondContact O-CB 3.17Å; E737-A741 PolarHBondContact O-N 3.35Å
738	M	92.1	Very high	91	Very high	61 Å²	61	38 Å²	38	30%	0.3	19%	0.194	S	C	.	.	H	α-helix	trans	-61.7	-44.6	177.3	-72.1	175.4	73.2	0	0	111.6	Q573 Q734 L735 E736 A741 S742	Q573-M738 HydrophobicContact CG-CE 4.45Å; Q734-M738 HydrophobicContact CG-CG 4.34Å; Q734-M738 HydrophobicContact CG-SD 3.85Å; Q734-M738 WeakPolarHBondContact O-CB 3.28Å; Q734-M738 VanDerWaalsContact O-CG 3.26Å; Q734-M738 WeakPolarHBondContact O-CG 2.78Å; Q734-M738 PolarHBondContact O-N 3.43Å; L735-M738 PolarHBondContact O-N 2.95Å; E736-M738 PolarHBondContact O-N 3.46Å; M738-A741 PolarHBondContact O-N 3.34Å; M738-S742 WeakPolarHBondContact O-CB 3.47Å; M738-S742 PolarHBondContact O-N 3.33Å; M738-S742 PolarHBondContact O-OG 3.43Å
739	E	92.9	Very high	90.1	Very high	3 Å²	3	42 Å²	42	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-66.2	-40.9	176.9	-69.4	-79.8	-161.4	0	0	111.5	I315 V319 G572 Q573 S574 L735 E736 S742 T743	I315-E739 HydrophobicContact CG2-CB 4.14Å; I315-E739 HydrophobicContact CG2-CG 4.05Å; V319-E739 HydrophobicContact CG2-CB 4.21Å; V319-E739 HydrophobicContact CG2-CG 4.31Å; V319-E739 WeakPolarHBondContact CG2-OE2 3.5Å; G572-E739 VanDerWaalsContact CA-OE1 3.28Å; G572-E739 WeakPolarHBondContact CA-OE1 3.12Å; G572-E739 VanDerWaalsContact N-CD 3.33Å; G572-E739 PolarHBondContact N-OE1 3.25Å; G572-E739 PolarHBondContact N-OE2 2.86Å; G572-E739 VanDerWaalsContact N-OE2 3.1Å; Q573-E739 PolarHBondContact N-OE1 2.89Å; S574-E739 VanDerWaalsContact CB-OE1 3.32Å; S574-E739 WeakPolarHBondContact CB-OE1 3.14Å; S574-E739 PolarHBondContact N-OE1 2.73Å; S574-E739 PolarHBondContact OG-OE1 2.77Å; L735-E739 WeakPolarHBondContact O-CB 3.31Å; L735-E739 WeakPolarHBondContact O-CG 3.11Å; L735-E739 PolarHBondContact O-N 3.35Å; E736-E739 PolarHBondContact O-N 3.13Å; E739-S742 PolarHBondContact O-N 2.88Å; E739-T743 WeakPolarHBondContact O-CB 3.21Å; E739-T743 WeakPolarHBondContact O-CG2 3.1Å; E739-T743 PolarHBondContact O-N 3.39Å; E739-T743 PolarHBondContact O-OG1 3.08Å
740	M	92.8	Very high	89.1	Confident	93 Å²	93	44.9 Å²	44.9	46%	0.458	23%	0.228	S	C	.	.	H	α-helix	trans	-62.6	-45.5	175.5	-75.3	-168.4	-62.9	0	0	112	E736 E737 T743 S744	E736-M740 HydrophobicContact CG-CE 4.1Å; E736-M740 HydrophobicContact CG-SD 4.5Å; E736-M740 WeakPolarHBondContact O-CB 3.43Å; E736-M740 VanDerWaalsContact O-CG 3.3Å; E736-M740 WeakPolarHBondContact O-CG 3.4Å; E736-M740 PolarHBondContact O-N 3Å; E737-M740 HydrophobicContact CG-CE 4.27Å; E737-M740 PolarHBondContact O-N 3.01Å; M740-T743 PolarHBondContact O-OG1 2.73Å; M740-S744 WeakPolarHBondContact O-CB 3.07Å; M740-S744 PolarHBondContact O-N 2.93Å
741	A	92.4	Very high	88.2	Confident	43 Å²	43	48 Å²	48	36%	0.355	25%	0.249	S	C	.	.	H	α-helix	trans	-61.6	-47.6	176.7	0	0	0	0	0	111.3	I567 E737 M738 T743 S744 L745	I567-A741 HydrophobicContact CG2-CB 4.03Å; E737-A741 WeakPolarHBondContact O-CB 3.17Å; E737-A741 PolarHBondContact O-N 3.35Å; M738-A741 PolarHBondContact O-N 3.34Å; A741-T743 PolarHBondContact O-N 3.48Å; A741-S744 PolarHBondContact O-N 2.88Å; A741-L745 WeakPolarHBondContact O-CB 3.42Å; A741-L745 PolarHBondContact O-N 2.95Å
742	S	90.9	Very high	86.1	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58	-50.1	178	-57.9	0	0	0	0	112.5	I567 G570 L571 M738 E739 L745 L746	I567-S742 PolarHBondContact O-OG 3.13Å; G570-S742 VanDerWaalsContact C-OG 3.23Å; G570-S742 WeakPolarHBondContact CA-OG 3.31Å; L571-S742 PolarHBondContact N-OG 3.3Å; M738-S742 WeakPolarHBondContact O-CB 3.47Å; M738-S742 PolarHBondContact O-N 3.33Å; M738-S742 PolarHBondContact O-OG 3.43Å; E739-S742 PolarHBondContact O-N 2.88Å; S742-L745 PolarHBondContact O-N 3.39Å; S742-L746 WeakPolarHBondContact O-CG 3.44Å; S742-L746 PolarHBondContact O-N 3.48Å
743	T	88.7	Confident	83.8	Confident	19 Å²	19	56.4 Å²	56.4	12%	0.117	32%	0.319	C	S	.	.	H	α-helix	trans	-70.5	-33.9	-177.3	56.1	0	0	0	0	111.9	V319 H323 L571 E739 M740 A741 N747	V319-T743 HydrophobicContact CG2-CG2 4.44Å; H323-T743 VanDerWaalsContact CD2-CG2 3.4Å; H323-T743 WeakPolarHBondContact CD2-CG2 3.17Å; H323-T743 VanDerWaalsContact NE2-CG2 3.29Å; H323-T743 WeakPolarHBondContact NE2-CG2 3.19Å; L571-T743 HydrophobicContact CD1-CG2 3.9Å; E739-T743 WeakPolarHBondContact O-CB 3.21Å; E739-T743 WeakPolarHBondContact O-CG2 3.1Å; E739-T743 PolarHBondContact O-N 3.39Å; E739-T743 PolarHBondContact O-OG1 3.08Å; M740-T743 PolarHBondContact O-OG1 2.73Å; A741-T743 PolarHBondContact O-N 3.48Å; T743-N747 PolarHBondContact O-N 2.92Å; T743-N747 PolarHBondContact O-ND2 3.47Å
744	S	89.6	Confident	81.4	Confident	50 Å²	50	61.4 Å²	61.4	35%	0.35	34%	0.344	S	S	.	.	H	α-helix	trans	-62	-48.1	171.2	-176.4	0	0	0	0	111.5	M740 A741 L746 N747 R748	M740-S744 WeakPolarHBondContact O-CB 3.07Å; M740-S744 PolarHBondContact O-N 2.93Å; A741-S744 PolarHBondContact O-N 2.88Å; S744-L746 PolarHBondContact O-N 3.43Å; S744-N747 PolarHBondContact O-N 3.13Å; S744-R748 WeakPolarHBondContact O-CG 3.45Å; S744-R748 PolarHBondContact O-N 2.92Å; S744-R748 VanDerWaalsContact O-N 3.14Å
745	L	87.5	Confident	79	Confident	12 Å²	12	65 Å²	65	6%	0.063	36%	0.36	C	S	.	.	H	α-helix	trans	-59.5	-46.4	177.1	178.4	61.5	0	0	0	111.8	L365 Q564 I567 A741 S742 N747 R748 I749	L365-L745 HydrophobicContact CD2-CD2 4.11Å; L365-L745 HydrophobicContact CD2-CG 4.29Å; Q564-L745 HydrophobicContact CB-CD2 3.97Å; Q564-L745 HydrophobicContact CG-CD1 4.16Å; Q564-L745 HydrophobicContact CG-CD2 4.06Å; I567-L745 HydrophobicContact CB-CD2 3.99Å; I567-L745 HydrophobicContact CG2-CB 4.03Å; I567-L745 HydrophobicContact CG2-CD2 3.7Å; A741-L745 WeakPolarHBondContact O-CB 3.42Å; A741-L745 PolarHBondContact O-N 2.95Å; S742-L745 PolarHBondContact O-N 3.39Å; L745-N747 PolarHBondContact O-N 2.95Å; L745-R748 WeakPolarHBondContact O-CB 3.47Å; L745-R748 PolarHBondContact O-N 3Å; L745-I749 HydrophobicContact CD1-CD1 4.01Å; L745-I749 HydrophobicContact CD1-CG1 4.42Å; L745-I749 HydrophobicContact CG-CD1 3.98Å; L745-I749 WeakPolarHBondContact O-CG1 3.25Å; L745-I749 PolarHBondContact O-N 3.46Å; L745-I749 VanDerWaalsContact O-N 3.08Å
746	L	82.2	Confident	76.4	Confident	4 Å²	4	75.6 Å²	75.6	2%	0.021	40%	0.4	C	S	.	.	H	α-helix	trans	-59.9	-45.9	177.5	-76.7	171.7	0	0	0	112.9	K361 L365 L571 S742 S744 R748 I749 E750	K361-L746 HydrophobicContact CD-CD1 4.06Å; K361-L746 HydrophobicContact CD-CD2 3.91Å; L365-L746 HydrophobicContact CD1-CD2 3.94Å; L365-L746 HydrophobicContact CD1-CG 4.22Å; L365-L746 HydrophobicContact CD2-CD2 3.88Å; L365-L746 HydrophobicContact CG-CD2 4.05Å; L571-L746 HydrophobicContact CD1-CD1 3.89Å; L571-L746 HydrophobicContact CD2-CD1 3.74Å; L571-L746 HydrophobicContact CG-CD1 4.39Å; S742-L746 WeakPolarHBondContact O-CG 3.44Å; S742-L746 PolarHBondContact O-N 3.48Å; S744-L746 PolarHBondContact O-N 3.43Å; L746-R748 PolarHBondContact O-N 3.17Å; L746-I749 PolarHBondContact O-N 2.98Å; L746-E750 PolarHBondContact O-N 3.47Å
747	N	83.7	Confident	73.8	Confident	61 Å²	61	77.8 Å²	77.8	33%	0.326	42%	0.421	S	S	.	.	H	α-helix	trans	-61.9	-34.4	178.9	-64.6	-36.2	0	0	0	111.4	T743 S744 L745 S751	T743-N747 PolarHBondContact O-N 2.92Å; T743-N747 PolarHBondContact O-ND2 3.47Å; S744-N747 PolarHBondContact O-N 3.13Å; L745-N747 PolarHBondContact O-N 2.95Å; N747-S751 PolarHBondContact O-N 3.5Å
748	R	80.1	Confident	71.4	Confident	132 Å²	132	76.5 Å²	76.5	50%	0.498	43%	0.434	S	S	.	.	H	α-helix	trans	-67.4	-42.3	176.1	-69.7	174	-174.4	-171	0.9	111.9	S744 L745 L746	S744-R748 WeakPolarHBondContact O-CG 3.45Å; S744-R748 PolarHBondContact O-N 2.92Å; S744-R748 VanDerWaalsContact O-N 3.14Å; L745-R748 WeakPolarHBondContact O-CB 3.47Å; L745-R748 PolarHBondContact O-N 3Å; L746-R748 PolarHBondContact O-N 3.17Å
749	I	76.9	Confident	68.7	Low	83 Å²	83	77.2 Å²	77.2	43%	0.426	45%	0.445	S	S	.	.	H	α-helix	trans	-68.5	-39.5	-179.9	-67.2	167.5	0	0	0	111.5	L365 L745 L746 S751	L365-I749 HydrophobicContact CD2-CD1 3.34Å; L745-I749 HydrophobicContact CD1-CD1 4.01Å; L745-I749 HydrophobicContact CD1-CG1 4.42Å; L745-I749 HydrophobicContact CG-CD1 3.98Å; L745-I749 WeakPolarHBondContact O-CG1 3.25Å; L745-I749 PolarHBondContact O-N 3.46Å; L745-I749 VanDerWaalsContact O-N 3.08Å; L746-I749 PolarHBondContact O-N 2.98Å; I749-S751 VanDerWaalsContact C-N 3.33Å; I749-S751 PolarHBondContact O-N 2.89Å
750	E	71.7	Confident	66.2	Low	116 Å²	116	82.7 Å²	82.7	54%	0.542	47%	0.467	S	S	.	.	H	α-helix	trans	-77.2	-14.9	-178.1	-68.9	-179	163.2	0	0	114	K361 L746 P752	K361-E750 IonicContact NZ-OE1 2.76Å; K361-E750 PolarHBondContact NZ-OE1 2.68Å; K361-E750 IonicContact NZ-OE2 2.74Å; L746-E750 PolarHBondContact O-N 3.47Å; E750-P752 VanDerWaalsContact C-CD 3.48Å; E750-P752 WeakPolarHBondContact O-CD 3.24Å
751	S	68.6	Low	63.3	Low	71 Å²	71	89.9 Å²	89.9	50%	0.497	51%	0.507	S	S	.	.			trans	-126.1	65.4	-178.4	-63.1	0	0	0	0	113.1	N747 I749 G753	N747-S751 PolarHBondContact O-N 3.5Å; I749-S751 VanDerWaalsContact C-N 3.33Å; I749-S751 PolarHBondContact O-N 2.89Å; S751-G753 VanDerWaalsContact C-N 3.26Å; S751-G753 PolarHBondContact O-N 3.38Å
752	P	51.3	Low	61.9	Low	97 Å²	97	92.2 Å²	92.2	63%	0.63	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-65.5	-23.1	-173.3	23.2	-32.1	0	0	0	114.4	E750 L754 F755	E750-P752 VanDerWaalsContact C-CD 3.48Å; E750-P752 WeakPolarHBondContact O-CD 3.24Å; P752-L754 PolarHBondContact O-N 3.16Å; P752-F755 PolarHBondContact O-N 3.42Å
753	G	48.4	Very low	60.4	Low	82 Å²	82	97.1 Å²	97.1	85%	0.845	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-65.7	-6.5	-175.7	0	0	0	0	0	116.4	S751	S751-G753 VanDerWaalsContact C-N 3.26Å; S751-G753 PolarHBondContact O-N 3.38Å
754	L	44.1	Very low	58.8	Low	169 Å²	169	101.4 Å²	101.4	89%	0.885	57%	0.565	S	S	*	*	G	3₁₀ helix	trans	-110	6.5	179.4	-79	163.6	0	0	0	114	P752	P752-L754 PolarHBondContact O-N 3.16Å
755	F	41.9	Very low	57	Low	87 Å²	87	104.4 Å²	104.4	38%	0.382	58%	0.578	S	S	.	*			trans	-117.8	137.1	-172	-166.2	-106.9	0	0	0	114.7	P752	P752-F755 PolarHBondContact O-N 3.42Å
756	R	40.2	Very low	55.1	Low	225 Å²	225	110.2 Å²	110.2	85%	0.849	61%	0.61	S	S	*	*			trans	-106.4	128.9	165.1	-75.4	-175.6	178	-179	-0.1	108.5	G758	R756-G758 PolarHBondContact O-N 3.47Å
757	P	39.1	Very low	53.2	Low	127 Å²	127	117.3 Å²	117.3	83%	0.825	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	125.4	178.4	-16.1	28.2	0	0	0	110.9
758	G	43.6	Very low	51.1	Low	72 Å²	72	121.3 Å²	121.3	74%	0.742	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	151.5	-8.1	169	0	0	0	0	0	118.8	R756	R756-G758 PolarHBondContact O-N 3.47Å
759	S	35.3	Very low	48.8	Very low	75 Å²	75	120.5 Å²	120.5	52%	0.524	69%	0.686	S	S	.	*			trans	-113.9	87.9	-179.4	64	0	0	0	0	111.9
760	Y	40.7	Very low	46.5	Very low	118 Å²	118	123.6 Å²	123.6	46%	0.463	71%	0.707	S	S	.	*			trans	-120.6	82.5	163.5	-70.6	-85.1	0	0	0	106.7
761	D	33	Very low	44.2	Very low	244 Å²	244	124.3 Å²	124.3	100%	1.305	72%	0.722	S	S	*	*			trans	-109.2	0	162.3	-77.8	-28.5	0	0	0	108.1

Retrieved 761 of 761 residues in 338.5 ms (Link to these results)

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