A0A077Z2A6_TRITR Loading...

Peptidase M3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2A6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 624 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	25.5	Very low	30.4	Very low	230 Å²	230	129 Å²	129	100%	1.133	66%	0.657	S	S	*	*				0	-16.6	0	-79	-175.5	-165.1	0	0	115
2	L	26.7	Very low	30.5	Very low	153 Å²	153	129.9 Å²	129.9	80%	0.801	65%	0.653	S	S	*	*			trans	-91.4	-11	178.8	-75.5	154.4	0	0	0	115.2
3	G	27.7	Very low	30.9	Very low	56 Å²	56	129 Å²	129	58%	0.577	65%	0.65	S	S	*	*	S	Bend	trans	-80	-19.5	-176.4	0	0	0	0	0	115.8
4	N	30.3	Very low	31.1	Very low	125 Å²	125	131.4 Å²	131.4	67%	0.668	66%	0.655	S	S	*	*	S	Bend	trans	-90.9	-12.3	-177	-76	-12.9	0	0	0	113.8
5	L	27.8	Very low	31	Very low	110 Å²	110	128.8 Å²	128.8	58%	0.576	64%	0.643	S	S	*	*	H	α-helix	trans	-79.9	-27	179	-82.6	152.1	0	0	0	113.3	L8 Q9	L5-L8 PolarHBondContact O-N 3.31Å; L5-Q9 PolarHBondContact O-N 3.24Å; L5-Q9 VanDerWaalsContact O-N 3.12Å
6	R	32.4	Very low	31.2	Very low	205 Å²	205	132.9 Å²	132.9	77%	0.774	65%	0.649	S	S	*	*	H	α-helix	trans	-75.4	-28.3	175.7	-76.6	-174.1	176.3	-174	-1.1	113.8	S10	R6-S10 PolarHBondContact O-N 3.28Å; R6-S10 PolarHBondContact O-OG 3.18Å
7	R	32.4	Very low	31.7	Very low	198 Å²	198	134.4 Å²	134.4	75%	0.747	65%	0.647	S	S	*	*	H	α-helix	trans	-74.5	-28.3	172.2	-73.6	-173.1	-178.6	-172.4	0.5	112.5	S10 A11	R7-S10 WeakPolarHBondContact CA-OG 3.26Å; R7-S10 PolarHBondContact O-OG 2.92Å; R7-S10 VanDerWaalsContact O-OG 3.08Å; R7-A11 VanDerWaalsContact O-CB 3.29Å; R7-A11 WeakPolarHBondContact O-CB 3.4Å; R7-A11 PolarHBondContact O-N 3.1Å; R7-A11 VanDerWaalsContact O-N 3.08Å
8	L	30.8	Very low	31.9	Very low	104 Å²	104	131.6 Å²	131.6	55%	0.545	64%	0.644	S	S	.	*	H	α-helix	trans	-78.8	-31.3	174	-77.6	163.4	0	0	0	112.8	L5 F12	L5-L8 PolarHBondContact O-N 3.31Å; L8-F12 VanDerWaalsContact O-CB 3.31Å; L8-F12 WeakPolarHBondContact O-CB 3.49Å; L8-F12 PolarHBondContact O-N 3.35Å
9	Q	33.6	Very low	32	Very low	135 Å²	135	132.2 Å²	132.2	63%	0.631	65%	0.645	S	S	*	*	H	α-helix	trans	-70.7	-37.8	172	-85.5	-179.5	-33.3	0	0	113.2	L5 F12 L13	L5-Q9 PolarHBondContact O-N 3.24Å; L5-Q9 VanDerWaalsContact O-N 3.12Å; Q9-F12 PolarHBondContact O-N 2.96Å; Q9-L13 WeakPolarHBondContact O-CB 3.3Å; Q9-L13 WeakPolarHBondContact O-CG 3.48Å; Q9-L13 PolarHBondContact O-N 2.97Å
10	S	34	Very low	32.2	Very low	64 Å²	64	136.5 Å²	136.5	45%	0.448	65%	0.654	S	S	.	*	H	α-helix	trans	-68	-38.8	172	40.6	0	0	0	0	111.5	R6 R7 L13 F14	R6-S10 PolarHBondContact O-N 3.28Å; R6-S10 PolarHBondContact O-OG 3.18Å; R7-S10 WeakPolarHBondContact CA-OG 3.26Å; R7-S10 PolarHBondContact O-OG 2.92Å; R7-S10 VanDerWaalsContact O-OG 3.08Å; S10-L13 PolarHBondContact O-N 3.36Å; S10-F14 WeakPolarHBondContact O-CB 3.29Å; S10-F14 PolarHBondContact O-N 3.33Å
11	A	32.8	Very low	32.2	Very low	39 Å²	39	140 Å²	140	32%	0.322	66%	0.661	S	S	.	*	H	α-helix	trans	-67.5	-33.4	171.4	0	0	0	0	0	113.4	R7 F14 L15	R7-A11 VanDerWaalsContact O-CB 3.29Å; R7-A11 WeakPolarHBondContact O-CB 3.4Å; R7-A11 PolarHBondContact O-N 3.1Å; R7-A11 VanDerWaalsContact O-N 3.08Å; A11-F14 PolarHBondContact O-N 3.03Å; A11-L15 VanDerWaalsContact O-CB 3.32Å; A11-L15 WeakPolarHBondContact O-CB 3.42Å; A11-L15 WeakPolarHBondContact O-CD1 3.4Å; A11-L15 PolarHBondContact O-N 2.85Å
12	F	32.7	Very low	32.7	Very low	140 Å²	140	140.8 Å²	140.8	61%	0.614	65%	0.651	S	S	*	*	H	α-helix	trans	-75	-29.9	175	-111.1	-96.7	0	0	0	113.1	L8 Q9 R16	L8-F12 VanDerWaalsContact O-CB 3.31Å; L8-F12 WeakPolarHBondContact O-CB 3.49Å; L8-F12 PolarHBondContact O-N 3.35Å; Q9-F12 PolarHBondContact O-N 2.96Å; F12-R16 WeakPolarHBondContact O-CB 3.41Å; F12-R16 PolarHBondContact O-N 3.49Å
13	L	35.2	Very low	33.7	Very low	118 Å²	118	139.7 Å²	139.7	62%	0.618	65%	0.646	S	S	*	*	H	α-helix	trans	-70.8	-38.1	168.5	-81.1	157.2	0	0	0	110.8	Q9 S10 R16 Y17	Q9-L13 WeakPolarHBondContact O-CB 3.3Å; Q9-L13 WeakPolarHBondContact O-CG 3.48Å; Q9-L13 PolarHBondContact O-N 2.97Å; S10-L13 PolarHBondContact O-N 3.36Å; L13-R16 PolarHBondContact O-N 3.31Å; L13-Y17 WeakPolarHBondContact O-CB 3.27Å; L13-Y17 PolarHBondContact O-N 3.3Å
14	F	33.3	Very low	35.5	Very low	163 Å²	163	142.3 Å²	142.3	72%	0.715	66%	0.655	S	S	*	*	H	α-helix	trans	-66.8	-37.5	173.3	-136.1	-98.2	0	0	0	112.7	S10 A11 Y17 S18	S10-F14 WeakPolarHBondContact O-CB 3.29Å; S10-F14 PolarHBondContact O-N 3.33Å; A11-F14 PolarHBondContact O-N 3.03Å; F14-Y17 CarbonylContact O-C 3.23Å; F14-Y17 WeakPolarHBondContact O-CB 3.25Å; F14-Y17 PolarHBondContact O-N 2.97Å; F14-S18 PolarHBondContact O-N 3.11Å
15	L	30.3	Very low	38.1	Very low	92 Å²	92	138.4 Å²	138.4	48%	0.482	64%	0.637	S	S	.	*	H	α-helix	trans	-74.7	-26.8	175.3	-89.6	150.8	0	0	0	113.2	A11 S18 Q19	A11-L15 VanDerWaalsContact O-CB 3.32Å; A11-L15 WeakPolarHBondContact O-CB 3.42Å; A11-L15 WeakPolarHBondContact O-CD1 3.4Å; A11-L15 PolarHBondContact O-N 2.85Å; L15-S18 PolarHBondContact O-OG 3.08Å; L15-Q19 WeakPolarHBondContact O-CB 3.3Å; L15-Q19 PolarHBondContact O-N 2.66Å
16	R	33.9	Very low	41.2	Very low	194 Å²	194	134.2 Å²	134.2	73%	0.732	62%	0.617	S	S	*	*	H	α-helix	trans	-73.7	-29	166	-82.1	-172.6	173.7	-167.9	-1	112.2	F12 L13	F12-R16 WeakPolarHBondContact O-CB 3.41Å; F12-R16 PolarHBondContact O-N 3.49Å; L13-R16 PolarHBondContact O-N 3.31Å
17	Y	40.5	Very low	44	Very low	158 Å²	158	124.5 Å²	124.5	62%	0.62	58%	0.58	S	S	*	*	H	α-helix	trans	-71.6	-31.5	172.8	-120.3	-94.4	0	0	0	112.4	L13 F14 D345	L13-Y17 WeakPolarHBondContact O-CB 3.27Å; L13-Y17 PolarHBondContact O-N 3.3Å; F14-Y17 CarbonylContact O-C 3.23Å; F14-Y17 WeakPolarHBondContact O-CB 3.25Å; F14-Y17 PolarHBondContact O-N 2.97Å; Y17-D345 VanDerWaalsContact OH-CG 3.28Å; Y17-D345 PolarHBondContact OH-OD1 3.22Å; Y17-D345 PolarHBondContact OH-OD2 2.73Å
18	S	35.1	Very low	46.8	Very low	85 Å²	85	116.1 Å²	116.1	59%	0.594	55%	0.55	S	S	*	.	S	Bend	trans	-89.8	-1.7	176.8	74.2	0	0	0	0	114.9	F14 L15	F14-S18 PolarHBondContact O-N 3.11Å; L15-S18 PolarHBondContact O-OG 3.08Å
19	Q	33.3	Very low	49.7	Very low	142 Å²	142	112.3 Å²	112.3	66%	0.664	53%	0.529	S	S	*	.			trans	-115.1	7.3	179.8	-80.7	-168.9	-9.8	0	0	115.2	L15 R21	L15-Q19 WeakPolarHBondContact O-CB 3.3Å; L15-Q19 PolarHBondContact O-N 2.66Å; Q19-R21 PolarHBondContact O-N 2.69Å
20	R	36.2	Very low	52.6	Low	219 Å²	219	109.9 Å²	109.9	83%	0.826	52%	0.516	S	S	*	.			trans	-72.6	70.2	157	-76.6	-168.1	-174.5	-166.7	3.9	109.6	W22	R20-W22 PolarHBondContact O-N 2.67Å
21	R	31.5	Very low	55.2	Low	210 Å²	210	109 Å²	109	79%	0.792	51%	0.506	S	S	*	.			trans	-43.4	118.9	164.4	-84.9	169.7	150.4	177.5	-7.9	110.6	Q19 L23	Q19-R21 PolarHBondContact O-N 2.69Å; R21-L23 PolarHBondContact O-N 3.43Å
22	W	37	Very low	58	Low	247 Å²	247	114.7 Å²	114.7	94%	0.936	52%	0.524	S	S	*	.			trans	54.3	51	146.3	-57.7	94.7	0	0	0	118.4	R20	R20-W22 PolarHBondContact O-N 2.67Å
23	L	47.1	Very low	60.6	Low	130 Å²	130	111.1 Å²	111.1	68%	0.681	52%	0.516	S	S	*	.			trans	-97.6	133.1	155.1	-74.7	164.8	0	0	0	107.9	R21 S25	R21-L23 PolarHBondContact O-N 3.43Å; L23-S25 PolarHBondContact O-N 2.83Å
24	S	64.9	Low	63.1	Low	111 Å²	111	105.7 Å²	105.7	78%	0.776	49%	0.488	S	S	*	.			trans	-58.8	110.1	-179.3	53.2	0	0	0	0	110.3	V26	S24-V26 PolarHBondContact O-N 2.93Å
25	S	85	Confident	65.7	Low	42 Å²	42	104 Å²	104	29%	0.294	48%	0.483	S	S	.	.			trans	-60.8	135.2	173.7	-178.9	0	0	0	0	109.8	L23 G27 P339	L23-S25 PolarHBondContact O-N 2.83Å; S25-G27 PolarHBondContact OG-N 2.69Å; S25-P339 WeakPolarHBondContact CA-O 3.34Å; S25-P339 PolarHBondContact OG-O 2.83Å
26	V	92.9	Very high	68.2	Low	23 Å²	23	101.6 Å²	101.6	14%	0.139	47%	0.473	C	S	.	.			trans	-81	-10.1	175.4	-62.8	0	0	0	0	112.9	S24 K30 N31 K32 E338 P339 E341	S24-V26 PolarHBondContact O-N 2.93Å; V26-K30 HydrophobicContact CG2-CG 4.26Å; V26-K30 CarbonylContact O-C 3.59Å; V26-K30 VanDerWaalsContact O-C 3.23Å; V26-K30 WeakPolarHBondContact O-CA 3.25Å; V26-N31 CarbonylContact O-C 3.43Å; V26-K32 PolarHBondContact O-N 2.97Å; V26-E338 HydrophobicContact CG1-CB 4.05Å; V26-E338 WeakPolarHBondContact CG1-OE2 3.33Å; V26-E338 HydrophobicContact CG2-CB 3.76Å; V26-P339 PolarHBondContact N-O 2.71Å; V26-P339 VanDerWaalsContact N-O 3.12Å; V26-E341 HydrophobicContact CG2-CB 3.72Å; V26-E341 HydrophobicContact CG2-CG 4.48Å
27	G	91.9	Very high	70.3	Confident	1 Å²	1	94.3 Å²	94.3	1%	0.01	45%	0.451	C	S	.	.			trans	72.4	164.3	-173.2	0	0	0	0	0	113.8	S25 F29 K30 N31 L34 G340 E341	S25-G27 PolarHBondContact OG-N 2.69Å; G27-F29 PolarHBondContact O-N 2.81Å; G27-K30 VanDerWaalsContact O-CA 3.31Å; G27-K30 WeakPolarHBondContact O-CA 3.34Å; G27-K30 PolarHBondContact O-N 3.14Å; G27-N31 WeakPolarHBondContact CA-O 3.42Å; G27-L34 CarbonylContact C-O 3.49Å; G27-L34 WeakPolarHBondContact CA-O 3.37Å; G27-G340 CarbonylContact C-O 3.56Å; G27-E341 WeakPolarHBondContact O-CA 3.4Å
28	L	91.1	Very high	72.3	Confident	21 Å²	21	93.6 Å²	93.6	11%	0.11	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-58.4	130.7	-174.6	-170.8	70.5	0	0	0	110.7	K30 N31 L34 F40 G340 W343	L28-K30 PolarHBondContact O-N 3.02Å; L28-N31 WeakPolarHBondContact O-CB 3.13Å; L28-N31 PolarHBondContact O-N 2.78Å; L28-L34 HydrophobicContact CB-CB 4.09Å; L28-L34 PolarHBondContact N-O 3.41Å; L28-F40 HydrophobicContact CD2-CZ 4.16Å; L28-G340 WeakPolarHBondContact CA-O 3.08Å; L28-G340 PolarHBondContact N-O 3.18Å; L28-W343 HydrophobicContact CD1-CB 4.27Å; L28-W343 HydrophobicContact CD1-CE3 3.99Å
29	F	92.6	Very high	74.9	Confident	24 Å²	24	91.1 Å²	91.1	11%	0.105	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	55.3	28.5	-172.8	-54	-72.6	0	0	0	114.1	G27 N31 M84 E341 W343 Y364 I381 V396 V398	G27-F29 PolarHBondContact O-N 2.81Å; F29-N31 PolarHBondContact O-N 3.07Å; F29-M84 HydrophobicContact CD2-CG 4.06Å; F29-M84 HydrophobicContact CD2-SD 3.72Å; F29-M84 HydrophobicContact CE2-CG 4.2Å; F29-M84 HydrophobicContact CE2-SD 4.38Å; F29-E341 PolarHBondContact N-O 2.91Å; F29-W343 HydrophobicContact CD1-CZ3 4.46Å; F29-W343 HydrophobicContact CE1-CE3 4.38Å; F29-W343 HydrophobicContact CE1-CH2 4.15Å; F29-W343 AromaticContact CE1-CZ3 3.44Å; F29-W343 HydrophobicContact CE1-CZ3 3.44Å; F29-W343 VanDerWaalsContact CE1-CZ3 3.44Å; F29-W343 HydrophobicContact CE2-CZ3 4.48Å; F29-W343 HydrophobicContact CZ-CE3 4.09Å; F29-W343 HydrophobicContact CZ-CH2 4.2Å; F29-W343 AromaticContact CZ-CZ3 3.44Å; F29-W343 HydrophobicContact CZ-CZ3 3.44Å; F29-W343 VanDerWaalsContact CZ-CZ3 3.44Å; F29-Y364 AromaticContact CD1-CD2 3.89Å; F29-Y364 HydrophobicContact CD1-CD2 3.89Å; F29-Y364 AromaticContact CD1-CE2 3.72Å; F29-Y364 HydrophobicContact CD1-CE2 3.72Å; F29-Y364 HydrophobicContact CD1-CG 4.47Å; F29-Y364 HydrophobicContact CE1-CD2 4.01Å; F29-Y364 HydrophobicContact CE1-CE2 4.31Å; F29-Y364 HydrophobicContact CE1-CG 4.34Å; F29-I381 HydrophobicContact CD1-CG1 4.45Å; F29-I381 HydrophobicContact CD1-CG2 4.3Å; F29-I381 HydrophobicContact CD2-CG2 3.88Å; F29-I381 HydrophobicContact CE1-CD1 4.43Å; F29-I381 HydrophobicContact CE1-CG1 3.91Å; F29-I381 HydrophobicContact CE1-CG2 4.46Å; F29-I381 HydrophobicContact CE2-CD1 4.19Å; F29-I381 HydrophobicContact CE2-CG1 4.34Å; F29-I381 HydrophobicContact CE2-CG2 4.09Å; F29-I381 HydrophobicContact CG-CG2 4.01Å; F29-I381 HydrophobicContact CZ-CD1 3.87Å; F29-I381 HydrophobicContact CZ-CG1 3.86Å; F29-I381 HydrophobicContact CZ-CG2 4.38Å; F29-V396 HydrophobicContact CD1-CG1 4.45Å; F29-V398 HydrophobicContact CE1-CG2 3.52Å; F29-V398 HydrophobicContact CZ-CG2 3.78Å
30	K	92.6	Very high	77.5	Confident	84 Å²	84	84.7 Å²	84.7	37%	0.365	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	61.4	18.8	-170.7	-51.6	-165.5	178.4	-163.9	0	114.2	V26 G27 L28 K32 E338 E341	V26-K30 HydrophobicContact CG2-CG 4.26Å; V26-K30 CarbonylContact O-C 3.59Å; V26-K30 VanDerWaalsContact O-C 3.23Å; V26-K30 WeakPolarHBondContact O-CA 3.25Å; G27-K30 VanDerWaalsContact O-CA 3.31Å; G27-K30 WeakPolarHBondContact O-CA 3.34Å; G27-K30 PolarHBondContact O-N 3.14Å; L28-K30 PolarHBondContact O-N 3.02Å; K30-K32 PolarHBondContact O-N 2.77Å; K30-E338 WeakPolarHBondContact CE-OE1 3.29Å; K30-E338 IonicContact NZ-OE1 2.63Å; K30-E338 PolarHBondContact NZ-OE1 3.17Å; K30-E341 WeakPolarHBondContact CE-OE1 3.36Å; K30-E341 VanDerWaalsContact CE-OE2 3.22Å; K30-E341 WeakPolarHBondContact CE-OE2 3.22Å; K30-E341 HydrophobicContact CG-CG 3.81Å
31	N	90.2	Very high	79.9	Confident	45 Å²	45	74.3 Å²	74.3	24%	0.241	37%	0.365	C	S	.	.			trans	-82.6	103.4	171.3	-171.6	-29	0	0	0	109.5	V26 G27 L28 F29 S33 L34	V26-N31 CarbonylContact O-C 3.43Å; G27-N31 WeakPolarHBondContact CA-O 3.42Å; L28-N31 WeakPolarHBondContact O-CB 3.13Å; L28-N31 PolarHBondContact O-N 2.78Å; F29-N31 PolarHBondContact O-N 3.07Å; N31-S33 PolarHBondContact O-N 2.88Å; N31-S33 VanDerWaalsContact OD1-CB 3.32Å; N31-S33 WeakPolarHBondContact OD1-CB 3.18Å; N31-S33 PolarHBondContact OD1-N 2.68Å; N31-L34 HydrophobicContact CB-CB 4.42Å; N31-L34 HydrophobicContact CB-CD1 4.36Å; N31-L34 HydrophobicContact CB-CG 4.47Å; N31-L34 PolarHBondContact O-N 2.75Å
32	K	90.2	Very high	82.7	Confident	159 Å²	159	69 Å²	69	69%	0.691	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-21.9	-178.4	-66.2	-177.8	-178.9	176.3	0	114.2	V26 K30 L34 Q35	V26-K32 PolarHBondContact O-N 2.97Å; K30-K32 PolarHBondContact O-N 2.77Å; K32-L34 VanDerWaalsContact C-N 3.28Å; K32-Q35 PolarHBondContact O-NE2 2.94Å
33	S	88.3	Confident	85.2	Confident	65 Å²	65	58.1 Å²	58.1	46%	0.455	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-5.4	176.4	-54.3	0	0	0	0	113.1	N31 D39	N31-S33 PolarHBondContact O-N 2.88Å; N31-S33 VanDerWaalsContact OD1-CB 3.32Å; N31-S33 WeakPolarHBondContact OD1-CB 3.18Å; N31-S33 PolarHBondContact OD1-N 2.68Å; S33-D39 WeakPolarHBondContact O-CB 3.49Å
34	L	87.5	Confident	87.3	Confident	5 Å²	5	52 Å²	52	3%	0.026	28%	0.28	C	S	.	.			trans	-119.4	76.5	179.8	-69.1	-178.9	0	0	0	111.4	G27 L28 N31 K32 D39 F40 L43 M84	G27-L34 CarbonylContact C-O 3.49Å; G27-L34 WeakPolarHBondContact CA-O 3.37Å; L28-L34 HydrophobicContact CB-CB 4.09Å; L28-L34 PolarHBondContact N-O 3.41Å; N31-L34 HydrophobicContact CB-CB 4.42Å; N31-L34 HydrophobicContact CB-CD1 4.36Å; N31-L34 HydrophobicContact CB-CG 4.47Å; N31-L34 PolarHBondContact O-N 2.75Å; K32-L34 VanDerWaalsContact C-N 3.28Å; L34-D39 HydrophobicContact CD2-CB 4.08Å; L34-F40 HydrophobicContact CD1-CE1 3.94Å; L34-F40 HydrophobicContact CD1-CZ 4.02Å; L34-F40 HydrophobicContact CD2-CD1 4Å; L34-F40 HydrophobicContact CD2-CD2 4.21Å; L34-F40 HydrophobicContact CD2-CE1 4.17Å; L34-F40 HydrophobicContact CD2-CE2 4.37Å; L34-F40 HydrophobicContact CD2-CG 4.03Å; L34-F40 HydrophobicContact CD2-CZ 4.35Å; L34-L43 HydrophobicContact CD1-CD2 4.05Å; L34-L43 HydrophobicContact CD2-CB 4.45Å; L34-L43 HydrophobicContact CD2-CD2 3.82Å; L34-L43 HydrophobicContact CG-CD2 3.91Å; L34-M84 HydrophobicContact CD1-CE 3.38Å; L34-M84 HydrophobicContact CD1-SD 3.42Å; L34-M84 WeakPolarHBondContact CD1-SD 3.33Å
35	Q	86.7	Confident	88.5	Confident	128 Å²	128	51.3 Å²	51.3	60%	0.598	27%	0.265	S	S	*	.	S	Bend	trans	-96.1	-18.2	178.2	-61.9	179.4	24.2	0	0	112.3	K32 D39	K32-Q35 PolarHBondContact O-NE2 2.94Å; Q35-D39 WeakPolarHBondContact CA-OD2 3.43Å; Q35-D39 PolarHBondContact N-OD2 3.43Å
36	S	83.2	Confident	88.8	Confident	40 Å²	40	53.5 Å²	53.5	28%	0.28	27%	0.273	S	S	.	.	S	Bend	trans	-145.4	157.3	179.8	68.4	0	0	0	0	111.2	E38 D39	S36-E38 WeakPolarHBondContact CB-OE2 3.36Å; S36-E38 PolarHBondContact O-N 3.4Å; S36-E38 PolarHBondContact OG-OE2 2.82Å; S36-D39 PolarHBondContact N-OD2 2.86Å; S36-D39 WeakPolarHBondContact O-CB 3.38Å; S36-D39 PolarHBondContact O-N 3.13Å; S36-D39 VanDerWaalsContact O-N 3.1Å; S36-D39 PolarHBondContact OG-OD1 2.86Å; S36-D39 PolarHBondContact OG-OD2 3.17Å
37	P	78.9	Confident	88.8	Confident	42 Å²	42	52.6 Å²	52.6	27%	0.273	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-27.9	175.2	-25	34.6	0	0	0	114.4	D39 F40	P37-D39 PolarHBondContact O-N 3.46Å; P37-F40 WeakPolarHBondContact O-CD2 3.48Å
38	E	82.9	Confident	88.8	Confident	142 Å²	142	57.2 Å²	57.2	66%	0.664	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-26.4	178.4	-66.8	70.9	-156.8	0	0	112.1	S36 F40 G41	S36-E38 WeakPolarHBondContact CB-OE2 3.36Å; S36-E38 PolarHBondContact O-N 3.4Å; S36-E38 PolarHBondContact OG-OE2 2.82Å; E38-F40 PolarHBondContact O-N 2.99Å; E38-G41 PolarHBondContact O-N 3.41Å; E38-G41 VanDerWaalsContact O-N 3.12Å
39	D	89	Confident	88.9	Confident	33 Å²	33	58.5 Å²	58.5	18%	0.176	30%	0.302	C	S	.	.	H	α-helix	trans	-68.9	-20.1	-177	-60.7	-35.9	0	0	0	113.2	S33 L34 Q35 S36 P37 G41 L42 L43	S33-D39 WeakPolarHBondContact O-CB 3.49Å; L34-D39 HydrophobicContact CD2-CB 4.08Å; Q35-D39 WeakPolarHBondContact CA-OD2 3.43Å; Q35-D39 PolarHBondContact N-OD2 3.43Å; S36-D39 PolarHBondContact N-OD2 2.86Å; S36-D39 WeakPolarHBondContact O-CB 3.38Å; S36-D39 PolarHBondContact O-N 3.13Å; S36-D39 VanDerWaalsContact O-N 3.1Å; S36-D39 PolarHBondContact OG-OD1 2.86Å; S36-D39 PolarHBondContact OG-OD2 3.17Å; P37-D39 PolarHBondContact O-N 3.46Å; D39-G41 PolarHBondContact O-N 3.3Å; D39-L42 PolarHBondContact O-N 2.94Å; D39-L43 WeakPolarHBondContact O-CB 3.5Å; D39-L43 PolarHBondContact O-N 3.42Å
40	F	87.5	Confident	89.1	Confident	7 Å²	7	60.5 Å²	60.5	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-55.9	-33.1	171.7	-82.7	-75.4	0	0	0	112.1	L28 L34 P37 E38 S44 V81 M84 V85 I96 D97	L28-F40 HydrophobicContact CD2-CZ 4.16Å; L34-F40 HydrophobicContact CD1-CE1 3.94Å; L34-F40 HydrophobicContact CD1-CZ 4.02Å; L34-F40 HydrophobicContact CD2-CD1 4Å; L34-F40 HydrophobicContact CD2-CD2 4.21Å; L34-F40 HydrophobicContact CD2-CE1 4.17Å; L34-F40 HydrophobicContact CD2-CE2 4.37Å; L34-F40 HydrophobicContact CD2-CG 4.03Å; L34-F40 HydrophobicContact CD2-CZ 4.35Å; P37-F40 WeakPolarHBondContact O-CD2 3.48Å; E38-F40 PolarHBondContact O-N 2.99Å; F40-S44 VanDerWaalsContact O-CB 3.29Å; F40-S44 WeakPolarHBondContact O-CB 3.48Å; F40-S44 PolarHBondContact O-N 3.23Å; F40-S44 PolarHBondContact O-OG 3.16Å; F40-V81 HydrophobicContact CD1-CG1 4.43Å; F40-M84 HydrophobicContact CE1-CB 3.81Å; F40-M84 HydrophobicContact CZ-CB 4.29Å; F40-V85 HydrophobicContact CD1-CG2 3.4Å; F40-V85 VanDerWaalsContact CD1-CG2 3.4Å; F40-V85 HydrophobicContact CE1-CG2 3.74Å; F40-V85 HydrophobicContact CG-CG2 4.21Å; F40-I96 HydrophobicContact CB-CG2 3.95Å; F40-I96 HydrophobicContact CD1-CG2 4.16Å; F40-I96 HydrophobicContact CD2-CG2 3.61Å; F40-I96 HydrophobicContact CE2-CD1 4.43Å; F40-I96 HydrophobicContact CE2-CG2 4.1Å; F40-I96 HydrophobicContact CG-CG2 3.64Å; F40-D97 HydrophobicContact CB-CB 4.38Å
41	G	87.2	Confident	89.1	Confident	2 Å²	2	56.6 Å²	56.6	2%	0.021	30%	0.295	C	S	.	.	H	α-helix	trans	-68.3	-40.1	176.8	0	0	0	0	0	113.1	E38 D39 Q45 D97 R99	E38-G41 PolarHBondContact O-N 3.41Å; E38-G41 VanDerWaalsContact O-N 3.12Å; D39-G41 PolarHBondContact O-N 3.3Å; G41-Q45 WeakPolarHBondContact O-CG 3.36Å; G41-Q45 PolarHBondContact O-N 2.96Å; G41-D97 WeakPolarHBondContact CA-OD2 3.47Å; G41-R99 PolarHBondContact O-NH2 2.96Å
42	L	89.6	Confident	89.3	Confident	97 Å²	97	60.8 Å²	60.8	51%	0.508	31%	0.311	S	S	.	.	H	α-helix	trans	-70	-47.4	176.5	-65.7	174.8	0	0	0	110.6	D39 S44 Q45 D46	D39-L42 PolarHBondContact O-N 2.94Å; L42-S44 PolarHBondContact O-N 3.02Å; L42-Q45 WeakPolarHBondContact O-CA 3.49Å; L42-Q45 WeakPolarHBondContact O-CB 3.08Å; L42-Q45 PolarHBondContact O-N 3.48Å; L42-D46 PolarHBondContact O-N 3.46Å
43	L	90.3	Very high	89.6	Confident	19 Å²	19	59.7 Å²	59.7	10%	0.099	31%	0.309	C	S	.	.	H	α-helix	trans	-59.4	-37.9	177.4	-172	63.6	0	0	0	111.9	L34 D39 Q45 D46 V47 V81 M84	L34-L43 HydrophobicContact CD1-CD2 4.05Å; L34-L43 HydrophobicContact CD2-CB 4.45Å; L34-L43 HydrophobicContact CD2-CD2 3.82Å; L34-L43 HydrophobicContact CG-CD2 3.91Å; D39-L43 WeakPolarHBondContact O-CB 3.5Å; D39-L43 PolarHBondContact O-N 3.42Å; L43-Q45 VanDerWaalsContact C-N 3.31Å; L43-Q45 PolarHBondContact O-N 2.92Å; L43-D46 PolarHBondContact O-N 3.5Å; L43-V47 WeakPolarHBondContact O-CB 3.48Å; L43-V47 WeakPolarHBondContact O-CG2 3.35Å; L43-V47 PolarHBondContact O-N 3.44Å; L43-V81 HydrophobicContact CD1-CG2 4.45Å; L43-V81 HydrophobicContact CD2-CB 4.46Å; L43-V81 HydrophobicContact CD2-CG1 4.27Å; L43-V81 HydrophobicContact CD2-CG2 3.65Å; L43-V81 HydrophobicContact CG-CG1 4.42Å; L43-V81 HydrophobicContact CG-CG2 3.56Å; L43-M84 HydrophobicContact CD2-CE 4Å
44	S	90.3	Very high	90	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-63.6	-34.3	173.5	-64.4	0	0	0	0	113	F40 L42 H48	F40-S44 VanDerWaalsContact O-CB 3.29Å; F40-S44 WeakPolarHBondContact O-CB 3.48Å; F40-S44 PolarHBondContact O-N 3.23Å; F40-S44 PolarHBondContact O-OG 3.16Å; L42-S44 PolarHBondContact O-N 3.02Å; S44-H48 WeakPolarHBondContact O-CB 3.38Å; S44-H48 PolarHBondContact O-N 3Å; S44-H48 VanDerWaalsContact O-N 3.09Å
45	Q	90.6	Very high	90.3	Very high	96 Å²	96	57.3 Å²	57.3	45%	0.449	29%	0.291	S	S	.	.	H	α-helix	trans	-71.7	-42.5	176.7	-72.5	171.8	-16.6	0	0	111.5	G41 L42 L43 H48 A49	G41-Q45 WeakPolarHBondContact O-CG 3.36Å; G41-Q45 PolarHBondContact O-N 2.96Å; L42-Q45 WeakPolarHBondContact O-CA 3.49Å; L42-Q45 WeakPolarHBondContact O-CB 3.08Å; L42-Q45 PolarHBondContact O-N 3.48Å; L43-Q45 VanDerWaalsContact C-N 3.31Å; L43-Q45 PolarHBondContact O-N 2.92Å; Q45-H48 WeakPolarHBondContact O-CB 3.29Å; Q45-H48 PolarHBondContact O-N 3.32Å; Q45-A49 PolarHBondContact O-N 3.44Å
46	D	92.2	Very high	90.7	Very high	87 Å²	87	55.3 Å²	55.3	47%	0.465	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-48.2	177.4	-66.6	-20	0	0	0	110.5	L42 L43 H48 A49 E50	L42-D46 PolarHBondContact O-N 3.46Å; L43-D46 PolarHBondContact O-N 3.5Å; D46-H48 VanDerWaalsContact C-N 3.29Å; D46-H48 PolarHBondContact O-N 2.66Å; D46-A49 WeakPolarHBondContact O-CB 3.24Å; D46-A49 PolarHBondContact O-N 3.46Å; D46-A49 VanDerWaalsContact O-N 3.08Å; D46-E50 WeakPolarHBondContact O-CG 3.35Å; D46-E50 PolarHBondContact O-N 2.74Å
47	V	92.3	Very high	91.4	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.024	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-39.2	175.2	165.8	0	0	0	0	112	L43 E50 C51 K77 I78 V81	L43-V47 WeakPolarHBondContact O-CB 3.48Å; L43-V47 WeakPolarHBondContact O-CG2 3.35Å; L43-V47 PolarHBondContact O-N 3.44Å; V47-E50 PolarHBondContact O-N 3.06Å; V47-C51 WeakPolarHBondContact O-CB 3.18Å; V47-C51 PolarHBondContact O-N 3.4Å; V47-C51 PolarHBondContact O-SG 3.22Å; V47-K77 HydrophobicContact CG1-CB 4.06Å; V47-K77 HydrophobicContact CG2-CB 4.37Å; V47-I78 HydrophobicContact CG1-CG1 4.25Å; V47-V81 HydrophobicContact CB-CG2 4.44Å; V47-V81 HydrophobicContact CG2-CG2 3.59Å
48	H	91.9	Very high	92.2	Very high	98 Å²	98	54 Å²	54	45%	0.454	27%	0.27	S	S	.	.	H	α-helix	trans	-62.6	-42.6	175.4	-176.5	81.6	0	0	0	112	S44 Q45 D46 C51 K52 T103	S44-H48 WeakPolarHBondContact O-CB 3.38Å; S44-H48 PolarHBondContact O-N 3Å; S44-H48 VanDerWaalsContact O-N 3.09Å; Q45-H48 WeakPolarHBondContact O-CB 3.29Å; Q45-H48 PolarHBondContact O-N 3.32Å; D46-H48 VanDerWaalsContact C-N 3.29Å; D46-H48 PolarHBondContact O-N 2.66Å; H48-C51 PolarHBondContact O-N 2.95Å; H48-K52 PolarHBondContact O-N 3.45Å; H48-T103 PolarHBondContact ND1-OG1 3.48Å
49	A	93.9	Very high	92.6	Very high	49 Å²	49	51.4 Å²	51.4	41%	0.405	26%	0.255	S	S	.	.	H	α-helix	trans	-65.4	-43.1	177.6	0	0	0	0	0	112.1	Q45 D46 K52 Q53	Q45-A49 PolarHBondContact O-N 3.44Å; D46-A49 WeakPolarHBondContact O-CB 3.24Å; D46-A49 PolarHBondContact O-N 3.46Å; D46-A49 VanDerWaalsContact O-N 3.08Å; A49-K52 WeakPolarHBondContact O-CB 3.35Å; A49-K52 PolarHBondContact O-N 2.89Å; A49-Q53 PolarHBondContact O-N 3.13Å
50	E	95	Very high	92.9	Very high	66 Å²	66	52.1 Å²	52.1	31%	0.308	26%	0.262	S	S	.	.	H	α-helix	trans	-63.9	-45	175.5	-70.2	-178.9	-145.3	0	0	111.7	D46 V47 K52 Q53 L54 K77	D46-E50 WeakPolarHBondContact O-CG 3.35Å; D46-E50 PolarHBondContact O-N 2.74Å; V47-E50 PolarHBondContact O-N 3.06Å; E50-K52 PolarHBondContact O-N 3.36Å; E50-Q53 WeakPolarHBondContact O-CB 3.35Å; E50-Q53 PolarHBondContact O-N 3.34Å; E50-Q53 VanDerWaalsContact O-N 3.1Å; E50-L54 WeakPolarHBondContact O-CG 3.49Å; E50-L54 PolarHBondContact O-N 3.14Å; E50-K77 WeakPolarHBondContact OE2-CD 3.35Å; E50-K77 WeakPolarHBondContact OE2-CE 3.42Å; E50-K77 IonicContact OE2-NZ 2.7Å; E50-K77 PolarHBondContact OE2-NZ 2.97Å
51	C	94.5	Very high	93	Very high	2 Å²	2	60 Å²	60	1%	0.014	30%	0.304	C	S	.	.	H	α-helix	trans	-60.1	-35.3	176.1	-70.4	0	0	0	0	112	V47 H48 L54 C55 T103 L107	V47-C51 WeakPolarHBondContact O-CB 3.18Å; V47-C51 PolarHBondContact O-N 3.4Å; V47-C51 PolarHBondContact O-SG 3.22Å; H48-C51 PolarHBondContact O-N 2.95Å; C51-L54 PolarHBondContact O-N 3.25Å; C51-C55 WeakPolarHBondContact O-CB 3.49Å; C51-C55 PolarHBondContact O-N 2.52Å; C51-C55 PolarHBondContact O-SG 3.04Å; C51-T103 HydrophobicContact CB-CG2 4.36Å; C51-L107 HydrophobicContact CB-CD1 4.26Å
52	K	94	Very high	93.3	Very high	133 Å²	133	67.8 Å²	67.8	58%	0.578	34%	0.339	S	S	*	.	H	α-helix	trans	-63	-44.2	175	-174.3	-179.3	176	-176.8	0	111.6	H48 A49 E50 L54 C55 D56	H48-K52 PolarHBondContact O-N 3.45Å; A49-K52 WeakPolarHBondContact O-CB 3.35Å; A49-K52 PolarHBondContact O-N 2.89Å; E50-K52 PolarHBondContact O-N 3.36Å; K52-L54 VanDerWaalsContact C-N 3.33Å; K52-L54 PolarHBondContact O-N 3.35Å; K52-C55 WeakPolarHBondContact O-CB 3.21Å; K52-C55 PolarHBondContact O-N 3.08Å; K52-D56 VanDerWaalsContact O-CG 3.3Å; K52-D56 PolarHBondContact O-N 2.65Å
53	Q	95.9	Very high	93.6	Very high	136 Å²	136	64.7 Å²	64.7	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-61.3	-42.7	175.9	-65.5	173.9	1	0	0	111.5	A49 E50 C55 D56 E57	A49-Q53 PolarHBondContact O-N 3.13Å; E50-Q53 WeakPolarHBondContact O-CB 3.35Å; E50-Q53 PolarHBondContact O-N 3.34Å; E50-Q53 VanDerWaalsContact O-N 3.1Å; Q53-C55 VanDerWaalsContact C-N 3.34Å; Q53-C55 PolarHBondContact O-N 3.49Å; Q53-D56 WeakPolarHBondContact O-CB 3.36Å; Q53-D56 PolarHBondContact O-N 3.4Å; Q53-E57 PolarHBondContact O-N 2.83Å
54	L	96.1	Very high	93.8	Very high	12 Å²	12	68.7 Å²	68.7	6%	0.063	35%	0.346	C	S	.	.	H	α-helix	trans	-64.2	-38.5	176	-65.3	169.5	0	0	0	111.9	E50 C51 K52 D56 E57 V58 I70 E73 M74	E50-L54 WeakPolarHBondContact O-CG 3.49Å; E50-L54 PolarHBondContact O-N 3.14Å; C51-L54 PolarHBondContact O-N 3.25Å; K52-L54 VanDerWaalsContact C-N 3.33Å; K52-L54 PolarHBondContact O-N 3.35Å; L54-D56 VanDerWaalsContact C-N 3.32Å; L54-D56 PolarHBondContact O-N 3.43Å; L54-E57 WeakPolarHBondContact O-CB 3.45Å; L54-E57 PolarHBondContact O-N 2.92Å; L54-V58 WeakPolarHBondContact O-CG2 3.48Å; L54-V58 PolarHBondContact O-N 3.43Å; L54-I70 HydrophobicContact CB-CG2 3.94Å; L54-I70 HydrophobicContact CD2-CG2 3.98Å; L54-E73 HydrophobicContact CD1-CB 4.29Å; L54-E73 HydrophobicContact CD1-CG 3.97Å; L54-E73 HydrophobicContact CD2-CG 4.34Å; L54-E73 WeakPolarHBondContact CD2-OE2 3.26Å; L54-M74 HydrophobicContact CB-CE 4.3Å; L54-M74 HydrophobicContact CB-CG 3.52Å; L54-M74 HydrophobicContact CB-SD 4.02Å; L54-M74 HydrophobicContact CD1-CB 4.27Å; L54-M74 HydrophobicContact CD1-CG 3.45Å; L54-M74 VanDerWaalsContact CD1-CG 3.45Å; L54-M74 HydrophobicContact CG-CG 4.1Å
55	C	95	Very high	94	Very high	7 Å²	7	71.7 Å²	71.7	5%	0.047	36%	0.357	C	S	.	.	H	α-helix	trans	-64.6	-36.3	173.4	-67.3	0	0	0	0	112.5	C51 K52 Q53 E57 V58 R59 L107 L113	C51-C55 WeakPolarHBondContact O-CB 3.49Å; C51-C55 PolarHBondContact O-N 2.52Å; C51-C55 PolarHBondContact O-SG 3.04Å; K52-C55 WeakPolarHBondContact O-CB 3.21Å; K52-C55 PolarHBondContact O-N 3.08Å; Q53-C55 VanDerWaalsContact C-N 3.34Å; Q53-C55 PolarHBondContact O-N 3.49Å; C55-E57 VanDerWaalsContact C-N 3.3Å; C55-V58 PolarHBondContact O-N 3.03Å; C55-R59 WeakPolarHBondContact O-CG 3.43Å; C55-R59 PolarHBondContact O-N 3.19Å; C55-R59 PolarHBondContact O-NH1 3.47Å; C55-L107 WeakPolarHBondContact SG-CD2 3.48Å; C55-L113 HydrophobicContact CB-CD2 4.22Å
56	D	95.6	Very high	94.2	Very high	86 Å²	86	68.5 Å²	68.5	46%	0.46	34%	0.342	S	S	.	.	H	α-helix	trans	-66.2	-36.2	174.9	-65.6	-21	0	0	0	110.8	K52 Q53 L54 R59 S60	K52-D56 VanDerWaalsContact O-CG 3.3Å; K52-D56 PolarHBondContact O-N 2.65Å; Q53-D56 WeakPolarHBondContact O-CB 3.36Å; Q53-D56 PolarHBondContact O-N 3.4Å; L54-D56 VanDerWaalsContact C-N 3.32Å; L54-D56 PolarHBondContact O-N 3.43Å; D56-R59 PolarHBondContact O-N 3.07Å; D56-R59 IonicContact OD1-NH1 2.66Å; D56-S60 PolarHBondContact O-N 3.43Å
57	E	96.3	Very high	94.4	Very high	51 Å²	51	64.5 Å²	64.5	24%	0.238	32%	0.321	C	S	.	.	H	α-helix	trans	-66.9	-43	172.6	-169.2	-177.8	155.6	0	0	112.9	Q53 L54 C55 R59 S60 R63 R65 I70	Q53-E57 PolarHBondContact O-N 2.83Å; L54-E57 WeakPolarHBondContact O-CB 3.45Å; L54-E57 PolarHBondContact O-N 2.92Å; C55-E57 VanDerWaalsContact C-N 3.3Å; E57-R59 PolarHBondContact O-N 3.5Å; E57-S60 VanDerWaalsContact O-CB 3.3Å; E57-S60 WeakPolarHBondContact O-CB 3.37Å; E57-S60 PolarHBondContact O-N 3.49Å; E57-R63 HydrophobicContact CG-CG 4.27Å; E57-R65 IonicContact OE1-CZ 3.75Å; E57-R65 IonicContact OE1-NE 3.66Å; E57-R65 PolarHBondContact OE1-NE 2.91Å; E57-R65 IonicContact OE1-NH2 3.78Å; E57-R65 PolarHBondContact OE1-NH2 3.15Å; E57-R65 IonicContact OE2-CZ 3.76Å; E57-R65 IonicContact OE2-NE 3.62Å; E57-R65 PolarHBondContact OE2-NE 3.19Å; E57-R65 IonicContact OE2-NH2 2.72Å; E57-R65 PolarHBondContact OE2-NH2 3.4Å; E57-I70 HydrophobicContact CB-CD1 4.31Å; E57-I70 HydrophobicContact CG-CD1 3.75Å; E57-I70 WeakPolarHBondContact OE1-CD1 3.47Å
58	V	95.3	Very high	94.4	Very high	3 Å²	3	64.4 Å²	64.4	2%	0.018	32%	0.32	C	S	.	.	H	α-helix	trans	-52.7	-38.9	175.2	165.8	0	0	0	0	111.4	L54 C55 M67 I70 F71 M74 L113 V116	L54-V58 WeakPolarHBondContact O-CG2 3.48Å; L54-V58 PolarHBondContact O-N 3.43Å; C55-V58 PolarHBondContact O-N 3.03Å; V58-M67 HydrophobicContact CB-SD 4.33Å; V58-M67 HydrophobicContact CG1-CE 4.15Å; V58-M67 HydrophobicContact CG1-SD 3.76Å; V58-M67 HydrophobicContact CG2-SD 3.96Å; V58-I70 HydrophobicContact CG2-CB 4.33Å; V58-I70 HydrophobicContact CG2-CD1 4.42Å; V58-I70 HydrophobicContact CG2-CG2 3.78Å; V58-F71 HydrophobicContact CG1-CE2 4.26Å; V58-F71 HydrophobicContact CG2-CD2 4.3Å; V58-F71 HydrophobicContact CG2-CE2 3.81Å; V58-M74 HydrophobicContact CG2-CE 3.55Å; V58-L113 HydrophobicContact CB-CD2 4.29Å; V58-L113 HydrophobicContact CG1-CD2 3.9Å; V58-V116 HydrophobicContact CG1-CB 4.28Å; V58-V116 HydrophobicContact CG1-CG1 3.78Å; V58-V116 WeakPolarHBondContact O-CG1 3.42Å
59	R	93.1	Very high	94.6	Very high	89 Å²	89	63.3 Å²	63.3	34%	0.336	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-13.2	-179.3	-64.6	172.2	-177.9	109.8	0.9	113.9	C55 D56 E57 L61 E112	C55-R59 WeakPolarHBondContact O-CG 3.43Å; C55-R59 PolarHBondContact O-N 3.19Å; C55-R59 PolarHBondContact O-NH1 3.47Å; D56-R59 PolarHBondContact O-N 3.07Å; D56-R59 IonicContact OD1-NH1 2.66Å; E57-R59 PolarHBondContact O-N 3.5Å; R59-L61 PolarHBondContact O-N 3.17Å; R59-E112 VanDerWaalsContact CD-OE1 3.29Å; R59-E112 WeakPolarHBondContact CD-OE1 3.43Å; R59-E112 IonicContact CZ-OE1 3.06Å; R59-E112 IonicContact CZ-OE2 3.8Å; R59-E112 VanDerWaalsContact CZ-OE2 3.27Å; R59-E112 IonicContact NE-OE1 2.64Å; R59-E112 PolarHBondContact NE-OE1 3.1Å; R59-E112 IonicContact NE-OE2 3.2Å; R59-E112 PolarHBondContact NE-OE2 3.42Å; R59-E112 IonicContact NH2-OE2 3.51Å; R59-E112 PolarHBondContact NH2-OE2 3.35Å
60	S	94.6	Very high	94.7	Very high	48 Å²	48	61 Å²	61	34%	0.336	30%	0.296	S	S	.	.			trans	-71.4	130.1	-173.7	-177.8	0	0	0	0	111.6	D56 E57 H62 R63	D56-S60 PolarHBondContact O-N 3.43Å; E57-S60 VanDerWaalsContact O-CB 3.3Å; E57-S60 WeakPolarHBondContact O-CB 3.37Å; E57-S60 PolarHBondContact O-N 3.49Å; S60-H62 PolarHBondContact O-N 3.2Å; S60-H62 PolarHBondContact OG-N 2.88Å; S60-H62 VanDerWaalsContact OG-N 3.1Å; S60-R63 WeakPolarHBondContact O-CB 3.32Å; S60-R63 PolarHBondContact O-N 3.32Å
61	L	90.1	Very high	94.7	Very high	171 Å²	171	58.8 Å²	58.8	90%	0.895	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-13.4	169.1	-63.6	176.2	0	0	0	112.7	R59	R59-L61 PolarHBondContact O-N 3.17Å
62	H	92.9	Very high	94.7	Very high	167 Å²	167	59.1 Å²	59.1	77%	0.773	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.9	15.2	179.3	-57.1	-56	0	0	0	112.8	S60 T64	S60-H62 PolarHBondContact O-N 3.2Å; S60-H62 PolarHBondContact OG-N 2.88Å; S60-H62 VanDerWaalsContact OG-N 3.1Å; H62-T64 PolarHBondContact O-N 3.17Å
63	R	95.1	Very high	94.8	Very high	31 Å²	31	55.4 Å²	55.4	12%	0.117	27%	0.272	C	S	.	.			trans	-58.9	132.7	175.5	177.8	177	57.8	93	-3	110.5	E57 S60 R65 M67 I70 D125 V126	E57-R63 HydrophobicContact CG-CG 4.27Å; S60-R63 WeakPolarHBondContact O-CB 3.32Å; S60-R63 PolarHBondContact O-N 3.32Å; R63-R65 WeakPolarHBondContact CG-O 3.37Å; R63-R65 PolarHBondContact NH1-O 3.24Å; R63-M67 VanDerWaalsContact NH1-N 3.13Å; R63-I70 HydrophobicContact CG-CD1 3.85Å; R63-D125 IonicContact CZ-OD1 2.69Å; R63-D125 IonicContact NH1-OD1 3.01Å; R63-D125 PolarHBondContact NH1-OD1 3.16Å; R63-D125 IonicContact NH1-OD2 2.72Å; R63-D125 IonicContact NH2-OD1 3.67Å; R63-D125 PolarHBondContact NH2-OD1 3.18Å; R63-V126 VanDerWaalsContact NH1-CG2 3.32Å
64	T	94.6	Very high	94.7	Very high	104 Å²	104	49.3 Å²	49.3	64%	0.638	24%	0.243	S	C	*	.			trans	-106.7	-30.4	178.7	54.2	0	0	0	0	112.7	H62 Q127	H62-T64 PolarHBondContact O-N 3.17Å; T64-Q127 PolarHBondContact O-NE2 3.34Å
65	R	95.1	Very high	94.5	Very high	65 Å²	65	49.8 Å²	49.8	25%	0.245	25%	0.248	C	C	.	.	S	Bend	trans	-76.7	150.4	178.9	-62.6	-165.8	-65.5	170.4	0.7	111.6	E57 R63 E69 I70 E73 V126	E57-R65 IonicContact OE1-CZ 3.75Å; E57-R65 IonicContact OE1-NE 3.66Å; E57-R65 PolarHBondContact OE1-NE 2.91Å; E57-R65 IonicContact OE1-NH2 3.78Å; E57-R65 PolarHBondContact OE1-NH2 3.15Å; E57-R65 IonicContact OE2-CZ 3.76Å; E57-R65 IonicContact OE2-NE 3.62Å; E57-R65 PolarHBondContact OE2-NE 3.19Å; E57-R65 IonicContact OE2-NH2 2.72Å; E57-R65 PolarHBondContact OE2-NH2 3.4Å; R63-R65 WeakPolarHBondContact CG-O 3.37Å; R63-R65 PolarHBondContact NH1-O 3.24Å; R65-E69 WeakPolarHBondContact CA-OE2 3.44Å; R65-E69 WeakPolarHBondContact CB-OE2 3.5Å; R65-I70 HydrophobicContact CB-CD1 4.27Å; R65-I70 HydrophobicContact CB-CG1 4Å; R65-E73 IonicContact CZ-OE2 3.62Å; R65-E73 IonicContact NH1-OE2 3.57Å; R65-E73 PolarHBondContact NH1-OE2 3.48Å; R65-E73 IonicContact NH2-OE2 2.69Å; R65-E73 PolarHBondContact NH2-OE2 2.99Å; R65-V126 VanDerWaalsContact O-CG2 3.3Å; R65-V126 WeakPolarHBondContact O-CG2 3.16Å
66	K	95.2	Very high	94.5	Very high	29 Å²	29	50.8 Å²	50.8	13%	0.126	25%	0.252	C	S	.	.			trans	-61.8	150.2	170.7	-67.6	174.3	178.9	-172.2	0	110.2	M68 E69 I70 D125 Q127 D128 L129 D133	K66-M68 PolarHBondContact O-N 3.49Å; K66-E69 HydrophobicContact CB-CG 4.05Å; K66-E69 PolarHBondContact N-OE2 3.31Å; K66-E69 PolarHBondContact O-N 3.2Å; K66-E69 VanDerWaalsContact O-N 3.14Å; K66-I70 PolarHBondContact O-N 2.93Å; K66-D125 VanDerWaalsContact CA-OD2 3.27Å; K66-D125 WeakPolarHBondContact CA-OD2 3.39Å; K66-Q127 HydrophobicContact CD-CB 4.47Å; K66-Q127 HydrophobicContact CG-CB 3.86Å; K66-Q127 HydrophobicContact CG-CG 4.3Å; K66-D128 VanDerWaalsContact CE-O 3.25Å; K66-D128 WeakPolarHBondContact CE-O 2.97Å; K66-D128 PolarHBondContact NZ-O 3.41Å; K66-L129 HydrophobicContact CD-CD2 4.32Å; K66-L129 HydrophobicContact CG-CD2 4.47Å; K66-D133 IonicContact NZ-OD2 2.83Å; K66-D133 PolarHBondContact NZ-OD2 2.67Å
67	M	94.9	Very high	94.3	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.02	24%	0.242	C	C	.	.	H	α-helix	trans	-57.3	-38.8	175.9	-167	64.8	72.7	0	0	110.6	V58 R63 E69 I70 F71 V116 F117 D125	V58-M67 HydrophobicContact CB-SD 4.33Å; V58-M67 HydrophobicContact CG1-CE 4.15Å; V58-M67 HydrophobicContact CG1-SD 3.76Å; V58-M67 HydrophobicContact CG2-SD 3.96Å; R63-M67 VanDerWaalsContact NH1-N 3.13Å; M67-E69 PolarHBondContact O-N 3.36Å; M67-I70 PolarHBondContact O-N 3.3Å; M67-F71 HydrophobicContact CG-CD2 3.86Å; M67-F71 HydrophobicContact CG-CE2 4Å; M67-F71 WeakPolarHBondContact O-CD2 3.32Å; M67-F71 PolarHBondContact O-N 3.22Å; M67-F71 HydrophobicContact SD-CD2 3.88Å; M67-F71 HydrophobicContact SD-CE2 3.62Å; M67-V116 HydrophobicContact CE-CG1 3.78Å; M67-F117 HydrophobicContact CG-CD2 3.29Å; M67-F117 HydrophobicContact CG-CE2 3.67Å; M67-F117 HydrophobicContact CG-CG 4.33Å; M67-F117 HydrophobicContact SD-CD2 4.24Å; M67-D125 PolarHBondContact N-OD2 3.18Å
68	M	94.1	Very high	94.1	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-61.9	-39.1	178.4	-63.3	-50	-56.6	0	0	113.3	K66 D72 F117 D133 V136 S137 L140 Y438	K66-M68 PolarHBondContact O-N 3.49Å; M68-D72 WeakPolarHBondContact O-CB 3.31Å; M68-D72 PolarHBondContact O-N 2.77Å; M68-F117 HydrophobicContact SD-CE2 4Å; M68-F117 HydrophobicContact SD-CZ 3.92Å; M68-D133 HydrophobicContact CG-CB 4.33Å; M68-V136 HydrophobicContact CE-CB 3.59Å; M68-V136 HydrophobicContact CE-CG1 3.4Å; M68-V136 VanDerWaalsContact CE-CG1 3.4Å; M68-S137 VanDerWaalsContact SD-CA 3.54Å; M68-S137 VanDerWaalsContact SD-CB 3.53Å; M68-L140 HydrophobicContact CE-CD1 3.61Å; M68-L140 HydrophobicContact SD-CD1 4.27Å; M68-Y438 HydrophobicContact CB-CE1 3.95Å; M68-Y438 HydrophobicContact CB-CE2 4.26Å; M68-Y438 WeakPolarHBondContact CB-OH 3.4Å
69	E	94.9	Very high	93.9	Very high	75 Å²	75	48.1 Å²	48.1	35%	0.35	24%	0.238	S	C	.	.	H	α-helix	trans	-65.8	-42.2	178.5	-66	169.2	152.2	0	0	111.2	R65 K66 M67 E73	R65-E69 WeakPolarHBondContact CA-OE2 3.44Å; R65-E69 WeakPolarHBondContact CB-OE2 3.5Å; K66-E69 HydrophobicContact CB-CG 4.05Å; K66-E69 PolarHBondContact N-OE2 3.31Å; K66-E69 PolarHBondContact O-N 3.2Å; K66-E69 VanDerWaalsContact O-N 3.14Å; M67-E69 PolarHBondContact O-N 3.36Å; E69-E73 WeakPolarHBondContact O-CB 3.47Å; E69-E73 PolarHBondContact O-N 3.44Å
70	I	96	Very high	93.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-69.9	-43.2	-179.6	-52.4	177.5	0	0	0	110.7	L54 E57 V58 R63 R65 K66 M67 E73 M74	L54-I70 HydrophobicContact CB-CG2 3.94Å; L54-I70 HydrophobicContact CD2-CG2 3.98Å; E57-I70 HydrophobicContact CB-CD1 4.31Å; E57-I70 HydrophobicContact CG-CD1 3.75Å; E57-I70 WeakPolarHBondContact OE1-CD1 3.47Å; V58-I70 HydrophobicContact CG2-CB 4.33Å; V58-I70 HydrophobicContact CG2-CD1 4.42Å; V58-I70 HydrophobicContact CG2-CG2 3.78Å; R63-I70 HydrophobicContact CG-CD1 3.85Å; R65-I70 HydrophobicContact CB-CD1 4.27Å; R65-I70 HydrophobicContact CB-CG1 4Å; K66-I70 PolarHBondContact O-N 2.93Å; M67-I70 PolarHBondContact O-N 3.3Å; I70-E73 PolarHBondContact O-N 3.41Å; I70-M74 HydrophobicContact CG2-CE 3.74Å; I70-M74 WeakPolarHBondContact O-CG 3.45Å; I70-M74 PolarHBondContact O-N 2.97Å
71	F	94.7	Very high	93.5	Very high	19 Å²	19	43.4 Å²	43.4	8%	0.083	22%	0.219	C	C	.	.	H	α-helix	trans	-67.3	-38.1	177.9	-91.6	-94.5	0	0	0	112.7	V58 M67 M74 S75 F117 L140 F144	V58-F71 HydrophobicContact CG1-CE2 4.26Å; V58-F71 HydrophobicContact CG2-CD2 4.3Å; V58-F71 HydrophobicContact CG2-CE2 3.81Å; M67-F71 HydrophobicContact CG-CD2 3.86Å; M67-F71 HydrophobicContact CG-CE2 4Å; M67-F71 WeakPolarHBondContact O-CD2 3.32Å; M67-F71 PolarHBondContact O-N 3.22Å; M67-F71 HydrophobicContact SD-CD2 3.88Å; M67-F71 HydrophobicContact SD-CE2 3.62Å; F71-M74 HydrophobicContact CD1-CE 4.29Å; F71-M74 HydrophobicContact CD2-CE 3.89Å; F71-M74 HydrophobicContact CE1-CE 4.32Å; F71-M74 HydrophobicContact CE2-CE 3.95Å; F71-M74 HydrophobicContact CG-CE 4.08Å; F71-M74 HydrophobicContact CZ-CE 4.19Å; F71-M74 PolarHBondContact O-N 2.97Å; F71-S75 WeakPolarHBondContact O-CB 3.44Å; F71-S75 PolarHBondContact O-N 3.23Å; F71-F117 HydrophobicContact CD1-CD2 4.39Å; F71-F117 HydrophobicContact CD1-CE2 4.46Å; F71-F117 AromaticContact CD2-CD2 3.62Å; F71-F117 HydrophobicContact CD2-CD2 3.62Å; F71-F117 AromaticContact CD2-CE2 3.89Å; F71-F117 HydrophobicContact CD2-CE2 3.89Å; F71-F117 HydrophobicContact CE1-CD2 4.27Å; F71-F117 HydrophobicContact CE2-CB 4.3Å; F71-F117 AromaticContact CE2-CD2 3.45Å; F71-F117 HydrophobicContact CE2-CD2 3.45Å; F71-F117 VanDerWaalsContact CE2-CD2 3.45Å; F71-F117 HydrophobicContact CE2-CE2 4.2Å; F71-F117 HydrophobicContact CE2-CG 4.26Å; F71-F117 HydrophobicContact CG-CD2 4.08Å; F71-F117 HydrophobicContact CG-CE2 4.02Å; F71-F117 HydrophobicContact CZ-CB 4.17Å; F71-F117 AromaticContact CZ-CD2 3.79Å; F71-F117 HydrophobicContact CZ-CD2 3.79Å; F71-F117 HydrophobicContact CZ-CG 4.25Å; F71-L140 HydrophobicContact CB-CD1 4.01Å; F71-F144 HydrophobicContact CD1-CE2 4.36Å; F71-F144 AromaticContact CE1-CE2 3.54Å; F71-F144 HydrophobicContact CE1-CE2 3.54Å; F71-F144 AromaticContact CE1-CZ 3.56Å; F71-F144 HydrophobicContact CE1-CZ 3.56Å; F71-F144 HydrophobicContact CZ-CE2 4.06Å; F71-F144 AromaticContact CZ-CZ 4Å; F71-F144 HydrophobicContact CZ-CZ 4Å
72	D	95.2	Very high	93.5	Very high	10 Å²	10	36.2 Å²	36.2	5%	0.053	18%	0.184	C	C	.	.	H	α-helix	trans	-66.3	-38.8	172.4	-179.5	66.8	0	0	0	111.6	M68 S75 N76 K385 Y438 Q439	M68-D72 WeakPolarHBondContact O-CB 3.31Å; M68-D72 PolarHBondContact O-N 2.77Å; D72-S75 PolarHBondContact O-N 3.23Å; D72-N76 PolarHBondContact O-N 3.34Å; D72-K385 WeakPolarHBondContact OD2-CE 3.47Å; D72-K385 IonicContact OD2-NZ 2.66Å; D72-K385 PolarHBondContact OD2-NZ 3.11Å; D72-Y438 HydrophobicContact CB-CD1 3.59Å; D72-Y438 HydrophobicContact CB-CE1 4.27Å; D72-Y438 HydrophobicContact CB-CG 4.46Å; D72-Q439 PolarHBondContact O-NE2 2.89Å; D72-Q439 WeakPolarHBondContact OD1-CG 3.28Å; D72-Q439 PolarHBondContact OD1-N 3.1Å; D72-Q439 PolarHBondContact OD1-NE2 3.47Å
73	E	95.3	Very high	93.4	Very high	55 Å²	55	30.1 Å²	30.1	26%	0.257	16%	0.157	S	C	.	.	H	α-helix	trans	-62.1	-46	172.4	-171.2	175.4	-173.6	0	0	111.9	L54 R65 E69 I70 S75 N76 K77	L54-E73 HydrophobicContact CD1-CB 4.29Å; L54-E73 HydrophobicContact CD1-CG 3.97Å; L54-E73 HydrophobicContact CD2-CG 4.34Å; L54-E73 WeakPolarHBondContact CD2-OE2 3.26Å; R65-E73 IonicContact CZ-OE2 3.62Å; R65-E73 IonicContact NH1-OE2 3.57Å; R65-E73 PolarHBondContact NH1-OE2 3.48Å; R65-E73 IonicContact NH2-OE2 2.69Å; R65-E73 PolarHBondContact NH2-OE2 2.99Å; E69-E73 WeakPolarHBondContact O-CB 3.47Å; E69-E73 PolarHBondContact O-N 3.44Å; I70-E73 PolarHBondContact O-N 3.41Å; E73-S75 VanDerWaalsContact C-N 3.33Å; E73-S75 PolarHBondContact O-N 2.89Å; E73-N76 WeakPolarHBondContact O-CB 3.47Å; E73-N76 PolarHBondContact O-N 2.94Å; E73-K77 WeakPolarHBondContact O-CG 3.45Å; E73-K77 PolarHBondContact O-N 3.09Å
74	M	94.3	Very high	93.1	Very high	7 Å²	7	29 Å²	29	3%	0.034	15%	0.153	C	C	.	.	H	α-helix	trans	-56.2	-47.9	174.7	-77.6	-170.4	-99.6	0	0	111.4	L54 V58 I70 F71 N76 K77 I78	L54-M74 HydrophobicContact CB-CE 4.3Å; L54-M74 HydrophobicContact CB-CG 3.52Å; L54-M74 HydrophobicContact CB-SD 4.02Å; L54-M74 HydrophobicContact CD1-CB 4.27Å; L54-M74 HydrophobicContact CD1-CG 3.45Å; L54-M74 VanDerWaalsContact CD1-CG 3.45Å; L54-M74 HydrophobicContact CG-CG 4.1Å; V58-M74 HydrophobicContact CG2-CE 3.55Å; I70-M74 HydrophobicContact CG2-CE 3.74Å; I70-M74 WeakPolarHBondContact O-CG 3.45Å; I70-M74 PolarHBondContact O-N 2.97Å; F71-M74 HydrophobicContact CD1-CE 4.29Å; F71-M74 HydrophobicContact CD2-CE 3.89Å; F71-M74 HydrophobicContact CE1-CE 4.32Å; F71-M74 HydrophobicContact CE2-CE 3.95Å; F71-M74 HydrophobicContact CG-CE 4.08Å; F71-M74 HydrophobicContact CZ-CE 4.19Å; F71-M74 PolarHBondContact O-N 2.97Å; M74-N76 PolarHBondContact O-N 3.18Å; M74-K77 PolarHBondContact O-N 2.97Å; M74-I78 WeakPolarHBondContact O-CD1 3.01Å; M74-I78 VanDerWaalsContact O-CG1 3.29Å; M74-I78 WeakPolarHBondContact O-CG1 3.47Å; M74-I78 PolarHBondContact O-N 3.47Å; M74-I78 VanDerWaalsContact O-N 3.09Å
75	S	93	Very high	92.8	Very high	23 Å²	23	24.3 Å²	24.3	16%	0.161	12%	0.124	C	C	.	.	H	α-helix	trans	-57.2	-40.3	175.2	-178	0	0	0	0	111	F71 D72 E73 K77 I78 C79 Q439	F71-S75 WeakPolarHBondContact O-CB 3.44Å; F71-S75 PolarHBondContact O-N 3.23Å; D72-S75 PolarHBondContact O-N 3.23Å; E73-S75 VanDerWaalsContact C-N 3.33Å; E73-S75 PolarHBondContact O-N 2.89Å; S75-K77 PolarHBondContact O-N 3.48Å; S75-I78 PolarHBondContact O-N 3.36Å; S75-C79 VanDerWaalsContact O-CB 3.25Å; S75-C79 WeakPolarHBondContact O-CB 3.41Å; S75-C79 PolarHBondContact O-N 3.01Å; S75-C79 PolarHBondContact O-SG 3.31Å; S75-C79 VanDerWaalsContact O-SG 3.36Å; S75-Q439 VanDerWaalsContact C-OE1 3.22Å; S75-Q439 PolarHBondContact O-OE1 3.1Å; S75-Q439 VanDerWaalsContact OG-CD 3.23Å; S75-Q439 PolarHBondContact OG-OE1 3.22Å; S75-Q439 VanDerWaalsContact OG-OE1 3.12Å
76	N	93.3	Very high	92.4	Very high	28 Å²	28	24.9 Å²	24.9	15%	0.15	14%	0.137	C	C	.	.	H	α-helix	trans	-65.1	-44.9	-175.6	-160.1	48.1	0	0	0	110.4	D72 E73 M74 S80 K385 Q393 Q439	D72-N76 PolarHBondContact O-N 3.34Å; E73-N76 WeakPolarHBondContact O-CB 3.47Å; E73-N76 PolarHBondContact O-N 2.94Å; M74-N76 PolarHBondContact O-N 3.18Å; N76-S80 VanDerWaalsContact O-CB 3.22Å; N76-S80 WeakPolarHBondContact O-CB 3.47Å; N76-S80 PolarHBondContact O-N 2.6Å; N76-S80 PolarHBondContact O-OG 2.9Å; N76-K385 HydrophobicContact CB-CD 4.42Å; N76-Q393 PolarHBondContact ND2-OE1 3.05Å; N76-Q393 PolarHBondContact OD1-NE2 3.28Å; N76-Q393 PolarHBondContact OD1-OE1 2.89Å; N76-Q439 VanDerWaalsContact CA-OE1 3.24Å
77	K	92.9	Very high	92.1	Very high	57 Å²	57	23.5 Å²	23.5	25%	0.248	13%	0.132	C	C	.	.	H	α-helix	trans	-63.2	-46.7	179	-61	-60.9	-178.1	155.2	0	111	V47 E50 E73 M74 S75 S80	V47-K77 HydrophobicContact CG1-CB 4.06Å; V47-K77 HydrophobicContact CG2-CB 4.37Å; E50-K77 WeakPolarHBondContact OE2-CD 3.35Å; E50-K77 WeakPolarHBondContact OE2-CE 3.42Å; E50-K77 IonicContact OE2-NZ 2.7Å; E50-K77 PolarHBondContact OE2-NZ 2.97Å; E73-K77 WeakPolarHBondContact O-CG 3.45Å; E73-K77 PolarHBondContact O-N 3.09Å; M74-K77 PolarHBondContact O-N 2.97Å; S75-K77 PolarHBondContact O-N 3.48Å; K77-S80 PolarHBondContact O-OG 3.4Å
78	I	92.1	Very high	91.8	Very high	8 Å²	8	23.6 Å²	23.6	4%	0.041	13%	0.132	C	C	.	.	H	α-helix	trans	-65.4	-51.8	-179.4	-63.6	162.4	0	0	0	111.1	V47 M74 S75 S80 V81 A82 V100 F104 L107	V47-I78 HydrophobicContact CG1-CG1 4.25Å; M74-I78 WeakPolarHBondContact O-CD1 3.01Å; M74-I78 VanDerWaalsContact O-CG1 3.29Å; M74-I78 WeakPolarHBondContact O-CG1 3.47Å; M74-I78 PolarHBondContact O-N 3.47Å; M74-I78 VanDerWaalsContact O-N 3.09Å; S75-I78 PolarHBondContact O-N 3.36Å; I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 2.9Å; I78-V81 PolarHBondContact O-N 2.94Å; I78-V81 VanDerWaalsContact O-N 3.11Å; I78-A82 WeakPolarHBondContact O-CB 3.45Å; I78-A82 PolarHBondContact O-N 3.32Å; I78-V100 HydrophobicContact CG2-CG2 4.09Å; I78-F104 HydrophobicContact CG2-CB 4.01Å; I78-F104 HydrophobicContact CG2-CD2 4.04Å; I78-F104 HydrophobicContact CG2-CG 4.45Å; I78-L107 HydrophobicContact CD1-CD1 3.41Å; I78-L107 VanDerWaalsContact CD1-CD1 3.41Å; I78-L107 HydrophobicContact CG1-CD1 4.49Å
79	C	91.3	Very high	91.3	Very high	18 Å²	18	28 Å²	28	12%	0.122	15%	0.152	C	C	.	.	H	α-helix	trans	-64	-34.7	-177.8	-71.3	0	0	0	0	112	S75 V81 A82 D83 R445	S75-C79 VanDerWaalsContact O-CB 3.25Å; S75-C79 WeakPolarHBondContact O-CB 3.41Å; S75-C79 PolarHBondContact O-N 3.01Å; S75-C79 PolarHBondContact O-SG 3.31Å; S75-C79 VanDerWaalsContact O-SG 3.36Å; C79-V81 PolarHBondContact O-N 2.66Å; C79-A82 PolarHBondContact O-N 2.8Å; C79-D83 WeakPolarHBondContact CB-OD2 3.21Å; C79-D83 VanDerWaalsContact O-CB 3.32Å; C79-D83 WeakPolarHBondContact O-CB 2.97Å; C79-D83 PolarHBondContact O-N 3.19Å; C79-R445 PolarHBondContact SG-NH2 3.26Å
80	S	88.7	Confident	90.8	Very high	38 Å²	38	25.2 Å²	25.2	27%	0.266	14%	0.141	S	C	.	.	H	α-helix	trans	-54.1	-30.6	175.5	75.9	0	0	0	0	112.2	N76 K77 I78 M84	N76-S80 VanDerWaalsContact O-CB 3.22Å; N76-S80 WeakPolarHBondContact O-CB 3.47Å; N76-S80 PolarHBondContact O-N 2.6Å; N76-S80 PolarHBondContact O-OG 2.9Å; K77-S80 PolarHBondContact O-OG 3.4Å; I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 2.9Å; S80-M84 WeakPolarHBondContact O-CE 3.4Å; S80-M84 WeakPolarHBondContact O-CG 3.28Å
81	V	90.7	Very high	90.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-99.6	-45.4	178.1	-173.5	0	0	0	0	111.8	F40 L43 V47 I78 C79 D83 M84 V85 V100	F40-V81 HydrophobicContact CD1-CG1 4.43Å; L43-V81 HydrophobicContact CD1-CG2 4.45Å; L43-V81 HydrophobicContact CD2-CB 4.46Å; L43-V81 HydrophobicContact CD2-CG1 4.27Å; L43-V81 HydrophobicContact CD2-CG2 3.65Å; L43-V81 HydrophobicContact CG-CG1 4.42Å; L43-V81 HydrophobicContact CG-CG2 3.56Å; V47-V81 HydrophobicContact CB-CG2 4.44Å; V47-V81 HydrophobicContact CG2-CG2 3.59Å; I78-V81 PolarHBondContact O-N 2.94Å; I78-V81 VanDerWaalsContact O-N 3.11Å; C79-V81 PolarHBondContact O-N 2.66Å; V81-D83 VanDerWaalsContact C-N 3.34Å; V81-D83 PolarHBondContact O-N 3.45Å; V81-M84 PolarHBondContact O-N 2.91Å; V81-V85 HydrophobicContact CG1-CG2 4.14Å; V81-V85 VanDerWaalsContact O-CG2 3.3Å; V81-V85 WeakPolarHBondContact O-CG2 3.36Å; V81-V85 PolarHBondContact O-N 2.88Å; V81-V100 HydrophobicContact CB-CB 4.32Å; V81-V100 HydrophobicContact CB-CG1 4.44Å; V81-V100 HydrophobicContact CB-CG2 4.01Å; V81-V100 HydrophobicContact CG1-CB 4.03Å; V81-V100 HydrophobicContact CG1-CG1 4.05Å; V81-V100 HydrophobicContact CG1-CG2 4.28Å
82	A	89.3	Confident	89.6	Confident	20 Å²	20	26.6 Å²	26.6	17%	0.165	15%	0.149	C	C	.	.	H	α-helix	trans	-60.8	-42.7	-174.9	0	0	0	0	0	112.2	I78 C79 V85 C86 V100	I78-A82 WeakPolarHBondContact O-CB 3.45Å; I78-A82 PolarHBondContact O-N 3.32Å; C79-A82 PolarHBondContact O-N 2.8Å; A82-V85 PolarHBondContact O-N 2.68Å; A82-C86 PolarHBondContact O-N 3.25Å; A82-V100 HydrophobicContact CB-CG1 4.05Å; A82-V100 HydrophobicContact CB-CG2 4.4Å
83	D	90.1	Very high	88.4	Confident	40 Å²	40	29.8 Å²	29.8	21%	0.214	17%	0.172	C	C	.	.	H	α-helix	trans	-68.5	-40.1	-179.4	-65.3	-26.5	0	0	0	110.8	C79 V81 C86 C87 T380 R445	C79-D83 WeakPolarHBondContact CB-OD2 3.21Å; C79-D83 VanDerWaalsContact O-CB 3.32Å; C79-D83 WeakPolarHBondContact O-CB 2.97Å; C79-D83 PolarHBondContact O-N 3.19Å; V81-D83 VanDerWaalsContact C-N 3.34Å; V81-D83 PolarHBondContact O-N 3.45Å; D83-C86 PolarHBondContact O-N 3.02Å; D83-C87 WeakPolarHBondContact O-CB 3.32Å; D83-C87 PolarHBondContact O-N 2.83Å; D83-T380 VanDerWaalsContact CB-O 3.25Å; D83-T380 WeakPolarHBondContact CB-O 3.38Å; D83-R445 IonicContact OD2-NH2 3.95Å; D83-R445 PolarHBondContact OD2-NH2 3.22Å
84	M	89.8	Confident	87.1	Confident	8 Å²	8	33.8 Å²	33.8	4%	0.039	19%	0.185	C	C	.	.	H	α-helix	trans	-62.9	-42	172.8	-75.2	-162.2	-75.4	0	0	112.6	F29 L34 F40 L43 S80 V81 S88 I381	F29-M84 HydrophobicContact CD2-CG 4.06Å; F29-M84 HydrophobicContact CD2-SD 3.72Å; F29-M84 HydrophobicContact CE2-CG 4.2Å; F29-M84 HydrophobicContact CE2-SD 4.38Å; L34-M84 HydrophobicContact CD1-CE 3.38Å; L34-M84 HydrophobicContact CD1-SD 3.42Å; L34-M84 WeakPolarHBondContact CD1-SD 3.33Å; F40-M84 HydrophobicContact CE1-CB 3.81Å; F40-M84 HydrophobicContact CZ-CB 4.29Å; L43-M84 HydrophobicContact CD2-CE 4Å; S80-M84 WeakPolarHBondContact O-CE 3.4Å; S80-M84 WeakPolarHBondContact O-CG 3.28Å; V81-M84 PolarHBondContact O-N 2.91Å; M84-S88 WeakPolarHBondContact O-CB 3.24Å; M84-S88 PolarHBondContact O-N 3.05Å; M84-S88 PolarHBondContact O-OG 3.43Å; M84-I381 HydrophobicContact CG-CG2 3.54Å; M84-I381 HydrophobicContact SD-CG2 4.29Å
85	V	88.1	Confident	86.1	Confident	4 Å²	4	41 Å²	41	2%	0.024	22%	0.224	C	C	.	.	H	α-helix	trans	-63.1	-45	176.8	168.4	0	0	0	0	110.6	F40 V81 A82 K89 I96 R98 V100	F40-V85 HydrophobicContact CD1-CG2 3.4Å; F40-V85 VanDerWaalsContact CD1-CG2 3.4Å; F40-V85 HydrophobicContact CE1-CG2 3.74Å; F40-V85 HydrophobicContact CG-CG2 4.21Å; V81-V85 HydrophobicContact CG1-CG2 4.14Å; V81-V85 VanDerWaalsContact O-CG2 3.3Å; V81-V85 WeakPolarHBondContact O-CG2 3.36Å; V81-V85 PolarHBondContact O-N 2.88Å; A82-V85 PolarHBondContact O-N 2.68Å; V85-K89 VanDerWaalsContact O-CB 3.28Å; V85-K89 WeakPolarHBondContact O-CB 3.46Å; V85-K89 PolarHBondContact O-N 3.03Å; V85-I96 HydrophobicContact CB-CG2 4.37Å; V85-I96 HydrophobicContact CG1-CG2 3.99Å; V85-I96 HydrophobicContact CG2-CG2 3.98Å; V85-R98 HydrophobicContact CG1-CG 4.12Å; V85-V100 HydrophobicContact CG2-CG1 4.44Å
86	C	86	Confident	85.3	Confident	77 Å²	77	40.2 Å²	40.2	52%	0.52	22%	0.218	S	C	.	.	H	α-helix	trans	-62	-51.5	178.1	-81.7	0	0	0	0	111.8	A82 D83 K89 A90	A82-C86 PolarHBondContact O-N 3.25Å; D83-C86 PolarHBondContact O-N 3.02Å; C86-K89 PolarHBondContact O-N 3.19Å; C86-A90 WeakPolarHBondContact O-CB 3.49Å; C86-A90 PolarHBondContact O-N 3.27Å
87	C	89.6	Confident	84.4	Confident	1 Å²	1	41 Å²	41	1%	0.007	22%	0.222	C	C	.	.	H	α-helix	trans	-59.2	-49.7	177.1	178	0	0	0	0	111.4	D83 K89 A90 L91 F379 I381	D83-C87 WeakPolarHBondContact O-CB 3.32Å; D83-C87 PolarHBondContact O-N 2.83Å; C87-K89 VanDerWaalsContact C-N 3.3Å; C87-K89 PolarHBondContact O-N 2.88Å; C87-A90 WeakPolarHBondContact O-CB 2.92Å; C87-A90 PolarHBondContact O-N 2.89Å; C87-A90 VanDerWaalsContact O-N 3.08Å; C87-L91 WeakPolarHBondContact O-CB 3.19Å; C87-L91 WeakPolarHBondContact O-CG 3.32Å; C87-L91 PolarHBondContact O-N 2.63Å; C87-L91 WeakPolarHBondContact SG-CD1 3.47Å; C87-F379 HydrophobicContact CB-CB 4.14Å; C87-F379 HydrophobicContact CB-CD1 3.95Å; C87-F379 HydrophobicContact CB-CD2 4.37Å; C87-F379 HydrophobicContact CB-CE1 4.45Å; C87-F379 HydrophobicContact CB-CG 3.9Å; C87-I381 HydrophobicContact CB-CD1 3.56Å
88	S	87.9	Confident	83.6	Confident	5 Å²	5	43.8 Å²	43.8	4%	0.035	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-36.1	-178	-59.7	0	0	0	0	112.3	M84 L92	M84-S88 WeakPolarHBondContact O-CB 3.24Å; M84-S88 PolarHBondContact O-N 3.05Å; M84-S88 PolarHBondContact O-OG 3.43Å; S88-L92 WeakPolarHBondContact O-CB 3.07Å; S88-L92 WeakPolarHBondContact O-CG 3.45Å; S88-L92 PolarHBondContact O-N 2.86Å
89	K	84.8	Confident	83.2	Confident	95 Å²	95	48.4 Å²	48.4	41%	0.413	25%	0.248	S	C	.	.	H	α-helix	trans	-64.7	-44	174	-177.4	-166.9	167.6	-170.2	0	111.1	V85 C86 C87 L91 S93 R98	V85-K89 VanDerWaalsContact O-CB 3.28Å; V85-K89 WeakPolarHBondContact O-CB 3.46Å; V85-K89 PolarHBondContact O-N 3.03Å; C86-K89 PolarHBondContact O-N 3.19Å; C87-K89 VanDerWaalsContact C-N 3.3Å; C87-K89 PolarHBondContact O-N 2.88Å; K89-L91 VanDerWaalsContact C-N 3.32Å; K89-L91 PolarHBondContact O-N 3.36Å; K89-S93 PolarHBondContact O-N 3.14Å; K89-R98 VanDerWaalsContact CD-NH2 3.32Å; K89-R98 VanDerWaalsContact NZ-CZ 3.32Å
90	A	84.6	Confident	82.8	Confident	16 Å²	16	47.6 Å²	47.6	13%	0.132	24%	0.242	C	C	.	.	H	α-helix	trans	-66.5	-32.3	-179.8	0	0	0	0	0	113.2	C86 C87 I374 F379	C86-A90 WeakPolarHBondContact O-CB 3.49Å; C86-A90 PolarHBondContact O-N 3.27Å; C87-A90 WeakPolarHBondContact O-CB 2.92Å; C87-A90 PolarHBondContact O-N 2.89Å; C87-A90 VanDerWaalsContact O-N 3.08Å; A90-I374 HydrophobicContact CB-CD1 3.73Å; A90-I374 HydrophobicContact CB-CG1 3.94Å; A90-I374 HydrophobicContact CB-CG2 4.27Å; A90-I374 PolarHBondContact O-N 2.82Å; A90-I374 VanDerWaalsContact O-N 3.14Å; A90-F379 HydrophobicContact CB-CE1 4.13Å; A90-F379 HydrophobicContact CB-CE2 4.4Å; A90-F379 HydrophobicContact CB-CZ 3.54Å
91	L	85.5	Confident	82.3	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	25%	0.246	C	C	.	.	H	α-helix	trans	-99.3	-24.7	-174.4	-61.3	-174.3	0	0	0	114.6	C87 K89 W343 R370 K373 F379 V398 S400	C87-L91 WeakPolarHBondContact O-CB 3.19Å; C87-L91 WeakPolarHBondContact O-CG 3.32Å; C87-L91 PolarHBondContact O-N 2.63Å; C87-L91 WeakPolarHBondContact SG-CD1 3.47Å; K89-L91 VanDerWaalsContact C-N 3.32Å; K89-L91 PolarHBondContact O-N 3.36Å; L91-W343 HydrophobicContact CD1-CH2 4.07Å; L91-W343 HydrophobicContact CD1-CZ2 3.35Å; L91-R370 PolarHBondContact O-NE 3.26Å; L91-R370 PolarHBondContact O-NH2 3.39Å; L91-K373 HydrophobicContact CD2-CG 4.12Å; L91-F379 HydrophobicContact CD2-CE2 4.4Å; L91-V398 HydrophobicContact CD1-CG1 3.82Å; L91-S400 WeakPolarHBondContact CD2-OG 3.09Å
92	L	79.2	Confident	81.9	Confident	46 Å²	46	52.4 Å²	52.4	24%	0.241	27%	0.272	C	S	.	.	H	α-helix	trans	-112.4	-13.1	-174.3	-51.1	177.5	0	0	0	114	S88 R94 W343	S88-L92 WeakPolarHBondContact O-CB 3.07Å; S88-L92 WeakPolarHBondContact O-CG 3.45Å; S88-L92 PolarHBondContact O-N 2.86Å; L92-R94 HydrophobicContact CB-CB 4.36Å; L92-R94 HydrophobicContact CB-CG 3.98Å; L92-R94 PolarHBondContact O-N 2.79Å; L92-W343 HydrophobicContact CD1-CB 4.2Å; L92-W343 HydrophobicContact CD2-CB 3.58Å; L92-W343 HydrophobicContact CD2-CG 3.73Å; L92-W343 HydrophobicContact CG-CB 4.41Å
93	S	69.9	Low	81.6	Confident	77 Å²	77	51.7 Å²	51.7	54%	0.538	27%	0.266	S	S	.	.			trans	51.1	27.6	-173.8	-89.7	0	0	0	0	113.9	K89 G372	K89-S93 PolarHBondContact O-N 3.14Å; S93-G372 VanDerWaalsContact OG-C 3.3Å; S93-G372 WeakPolarHBondContact OG-CA 3.5Å; S93-G372 PolarHBondContact OG-O 2.86Å
94	R	69	Low	81.2	Confident	139 Å²	139	54.7 Å²	54.7	53%	0.525	28%	0.277	S	S	.	.			trans	-90.8	151	178.2	-68.5	-175.9	-176.5	-172.4	2.3	110.8	L92 I96	L92-R94 HydrophobicContact CB-CB 4.36Å; L92-R94 HydrophobicContact CB-CG 3.98Å; L92-R94 PolarHBondContact O-N 2.79Å; R94-I96 HydrophobicContact CB-CG1 4.14Å; R94-I96 PolarHBondContact O-N 2.67Å
95	N	72.2	Confident	80.7	Confident	160 Å²	160	59 Å²	59	86%	0.856	30%	0.3	S	S	*	.			trans	-75.3	96.5	168.9	-165.6	14.9	0	0	0	108.5
96	I	76.4	Confident	80.6	Confident	5 Å²	5	61.5 Å²	61.5	3%	0.026	32%	0.32	C	S	.	.			trans	-99.5	139.8	179.8	-58.9	177.1	0	0	0	108.6	F40 V85 R94 R98	F40-I96 HydrophobicContact CB-CG2 3.95Å; F40-I96 HydrophobicContact CD1-CG2 4.16Å; F40-I96 HydrophobicContact CD2-CG2 3.61Å; F40-I96 HydrophobicContact CE2-CD1 4.43Å; F40-I96 HydrophobicContact CE2-CG2 4.1Å; F40-I96 HydrophobicContact CG-CG2 3.64Å; V85-I96 HydrophobicContact CB-CG2 4.37Å; V85-I96 HydrophobicContact CG1-CG2 3.99Å; V85-I96 HydrophobicContact CG2-CG2 3.98Å; R94-I96 HydrophobicContact CB-CG1 4.14Å; R94-I96 PolarHBondContact O-N 2.67Å; I96-R98 WeakPolarHBondContact O-CG 3.35Å; I96-R98 PolarHBondContact O-N 3.46Å
97	D	74.2	Confident	80.6	Confident	44 Å²	44	59 Å²	59	24%	0.235	30%	0.302	C	S	.	.			trans	-57.7	126.8	177.3	-163	-33.3	0	0	0	111.6	F40 G41 R99	F40-D97 HydrophobicContact CB-CB 4.38Å; G41-D97 WeakPolarHBondContact CA-OD2 3.47Å; D97-R99 VanDerWaalsContact CG-NE 3.33Å; D97-R99 VanDerWaalsContact OD1-CB 3.24Å; D97-R99 WeakPolarHBondContact OD1-CB 3.43Å; D97-R99 WeakPolarHBondContact OD1-CG 3.34Å; D97-R99 PolarHBondContact OD1-N 3.22Å; D97-R99 IonicContact OD1-NE 3.63Å; D97-R99 PolarHBondContact OD1-NE 3.16Å; D97-R99 IonicContact OD2-CZ 3.4Å; D97-R99 IonicContact OD2-NE 3.26Å; D97-R99 PolarHBondContact OD2-NE 2.94Å; D97-R99 IonicContact OD2-NH2 3.55Å; D97-R99 PolarHBondContact OD2-NH2 2.8Å
98	R	77.1	Confident	80.2	Confident	116 Å²	116	61 Å²	61	44%	0.438	31%	0.312	S	S	.	.			trans	-110	18.2	-179.4	-54.2	-166.4	-167.1	145.9	21	113.2	V85 K89 I96 V100 S101	V85-R98 HydrophobicContact CG1-CG 4.12Å; K89-R98 VanDerWaalsContact CD-NH2 3.32Å; K89-R98 VanDerWaalsContact NZ-CZ 3.32Å; I96-R98 WeakPolarHBondContact O-CG 3.35Å; I96-R98 PolarHBondContact O-N 3.46Å; R98-V100 PolarHBondContact O-N 2.7Å; R98-S101 VanDerWaalsContact O-CB 3.3Å; R98-S101 WeakPolarHBondContact O-CB 3.39Å; R98-S101 PolarHBondContact O-N 2.81Å; R98-S101 PolarHBondContact O-OG 3.24Å
99	R	82.9	Confident	80	Confident	106 Å²	106	64 Å²	64	40%	0.4	33%	0.331	S	S	.	.	H	α-helix	trans	-57.2	-28.6	178.1	-80	-178.2	-72.6	166.3	-1.8	112.8	G41 D97 S101 T102 T103	G41-R99 PolarHBondContact O-NH2 2.96Å; D97-R99 VanDerWaalsContact CG-NE 3.33Å; D97-R99 VanDerWaalsContact OD1-CB 3.24Å; D97-R99 WeakPolarHBondContact OD1-CB 3.43Å; D97-R99 WeakPolarHBondContact OD1-CG 3.34Å; D97-R99 PolarHBondContact OD1-N 3.22Å; D97-R99 IonicContact OD1-NE 3.63Å; D97-R99 PolarHBondContact OD1-NE 3.16Å; D97-R99 IonicContact OD2-CZ 3.4Å; D97-R99 IonicContact OD2-NE 3.26Å; D97-R99 PolarHBondContact OD2-NE 2.94Å; D97-R99 IonicContact OD2-NH2 3.55Å; D97-R99 PolarHBondContact OD2-NH2 2.8Å; R99-S101 PolarHBondContact O-N 3.44Å; R99-T102 PolarHBondContact O-N 3.36Å; R99-T102 VanDerWaalsContact O-N 3.07Å; R99-T102 PolarHBondContact O-OG1 3.46Å; R99-T103 PolarHBondContact O-N 3.32Å
100	V	81.9	Confident	80.2	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.006	32%	0.32	C	S	.	.	H	α-helix	trans	-57.3	-35.2	172.4	68.5	0	0	0	0	112.8	I78 V81 A82 V85 R98 T102 T103 F104	I78-V100 HydrophobicContact CG2-CG2 4.09Å; V81-V100 HydrophobicContact CB-CB 4.32Å; V81-V100 HydrophobicContact CB-CG1 4.44Å; V81-V100 HydrophobicContact CB-CG2 4.01Å; V81-V100 HydrophobicContact CG1-CB 4.03Å; V81-V100 HydrophobicContact CG1-CG1 4.05Å; V81-V100 HydrophobicContact CG1-CG2 4.28Å; A82-V100 HydrophobicContact CB-CG1 4.05Å; A82-V100 HydrophobicContact CB-CG2 4.4Å; V85-V100 HydrophobicContact CG2-CG1 4.44Å; R98-V100 PolarHBondContact O-N 2.7Å; V100-T102 VanDerWaalsContact C-N 3.26Å; V100-T102 PolarHBondContact O-N 2.91Å; V100-T103 WeakPolarHBondContact O-CB 3.35Å; V100-T103 PolarHBondContact O-N 2.98Å; V100-T103 VanDerWaalsContact O-N 3.16Å; V100-F104 PolarHBondContact O-N 3.34Å
101	S	78.7	Confident	80.5	Confident	49 Å²	49	62.5 Å²	62.5	34%	0.343	33%	0.331	S	S	.	.	H	α-helix	trans	-64.8	-30.2	178.3	-54.3	0	0	0	0	112.3	R98 R99 F104 I105	R98-S101 VanDerWaalsContact O-CB 3.3Å; R98-S101 WeakPolarHBondContact O-CB 3.39Å; R98-S101 PolarHBondContact O-N 2.81Å; R98-S101 PolarHBondContact O-OG 3.24Å; R99-S101 PolarHBondContact O-N 3.44Å; S101-F104 PolarHBondContact O-N 2.75Å; S101-I105 WeakPolarHBondContact O-CD1 3.42Å; S101-I105 VanDerWaalsContact O-CG1 3.25Å; S101-I105 WeakPolarHBondContact O-CG1 3.5Å; S101-I105 PolarHBondContact O-N 2.92Å
102	T	82.3	Confident	80.8	Confident	89 Å²	89	67 Å²	67	55%	0.546	35%	0.352	S	S	.	.	H	α-helix	trans	-71.5	-36.5	175.8	66.4	0	0	0	0	111.4	R99 V100 I105 A106	R99-T102 PolarHBondContact O-N 3.36Å; R99-T102 VanDerWaalsContact O-N 3.07Å; R99-T102 PolarHBondContact O-OG1 3.46Å; V100-T102 VanDerWaalsContact C-N 3.26Å; V100-T102 PolarHBondContact O-N 2.91Å; T102-I105 PolarHBondContact O-N 2.71Å; T102-A106 VanDerWaalsContact O-CB 3.27Å; T102-A106 WeakPolarHBondContact O-CB 3.46Å; T102-A106 PolarHBondContact O-N 3.46Å
103	T	83	Confident	81.5	Confident	6 Å²	6	65 Å²	65	4%	0.037	34%	0.341	C	S	.	.	H	α-helix	trans	-60.2	-48	171.1	-60.3	0	0	0	0	110.9	H48 C51 R99 V100 I105 A106 L107	H48-T103 PolarHBondContact ND1-OG1 3.48Å; C51-T103 HydrophobicContact CB-CG2 4.36Å; R99-T103 PolarHBondContact O-N 3.32Å; V100-T103 WeakPolarHBondContact O-CB 3.35Å; V100-T103 PolarHBondContact O-N 2.98Å; V100-T103 VanDerWaalsContact O-N 3.16Å; T103-I105 PolarHBondContact O-N 3.46Å; T103-A106 PolarHBondContact O-N 3.39Å; T103-L107 HydrophobicContact CG2-CD1 3.97Å; T103-L107 HydrophobicContact CG2-CG 4.47Å; T103-L107 VanDerWaalsContact O-CG 3.31Å; T103-L107 WeakPolarHBondContact O-CG 3.49Å; T103-L107 PolarHBondContact O-N 3.11Å
104	F	83	Confident	82.6	Confident	102 Å²	102	62.2 Å²	62.2	45%	0.447	32%	0.319	S	S	.	.	H	α-helix	trans	-57.3	-48.7	177.2	178.9	-105.7	0	0	0	112.4	I78 V100 S101 A106 L107 N108	I78-F104 HydrophobicContact CG2-CB 4.01Å; I78-F104 HydrophobicContact CG2-CD2 4.04Å; I78-F104 HydrophobicContact CG2-CG 4.45Å; V100-F104 PolarHBondContact O-N 3.34Å; S101-F104 PolarHBondContact O-N 2.75Å; F104-A106 PolarHBondContact O-N 3.38Å; F104-L107 PolarHBondContact O-N 2.95Å; F104-N108 VanDerWaalsContact CE1-ND2 3.29Å; F104-N108 WeakPolarHBondContact CE1-ND2 3.44Å; F104-N108 VanDerWaalsContact CE2-ND2 3.27Å; F104-N108 WeakPolarHBondContact CE2-ND2 3.49Å; F104-N108 WeakPolarHBondContact CZ-ND2 3.43Å; F104-N108 PolarHBondContact O-N 3.24Å; F104-N108 VanDerWaalsContact O-N 3.1Å
105	I	79	Confident	83.8	Confident	100 Å²	100	59.9 Å²	59.9	51%	0.513	32%	0.321	S	S	.	.	H	α-helix	trans	-62	-43.7	178.2	-67.6	165.1	0	0	0	111	S101 T102 T103 L107 N108 T109	S101-I105 WeakPolarHBondContact O-CD1 3.42Å; S101-I105 VanDerWaalsContact O-CG1 3.25Å; S101-I105 WeakPolarHBondContact O-CG1 3.5Å; S101-I105 PolarHBondContact O-N 2.92Å; T102-I105 PolarHBondContact O-N 2.71Å; T103-I105 PolarHBondContact O-N 3.46Å; I105-L107 VanDerWaalsContact C-N 3.32Å; I105-L107 PolarHBondContact O-N 2.9Å; I105-N108 PolarHBondContact O-N 3.02Å; I105-T109 HydrophobicContact CG2-CG2 4.42Å; I105-T109 WeakPolarHBondContact O-CB 3.4Å; I105-T109 WeakPolarHBondContact O-CG2 3.22Å; I105-T109 PolarHBondContact O-N 3.25Å; I105-T109 VanDerWaalsContact O-N 3.09Å; I105-T109 PolarHBondContact O-OG1 2.79Å
106	A	84.6	Confident	84.9	Confident	56 Å²	56	54.6 Å²	54.6	46%	0.463	29%	0.294	S	S	.	.	H	α-helix	trans	-62.1	-38.9	-179.8	0	0	0	0	0	112.4	T102 T103 F104 T109 S110	T102-A106 VanDerWaalsContact O-CB 3.27Å; T102-A106 WeakPolarHBondContact O-CB 3.46Å; T102-A106 PolarHBondContact O-N 3.46Å; T103-A106 PolarHBondContact O-N 3.39Å; F104-A106 PolarHBondContact O-N 3.38Å; A106-T109 PolarHBondContact O-OG1 2.64Å; A106-S110 PolarHBondContact O-N 3.08Å
107	L	86.7	Confident	85.8	Confident	24 Å²	24	54.4 Å²	54.4	13%	0.126	29%	0.293	C	S	.	.	H	α-helix	trans	-69.2	-48.6	178.2	-67.8	170.9	0	0	0	111.7	C51 C55 I78 T103 F104 I105 T109 S110 L113 F144	C51-L107 HydrophobicContact CB-CD1 4.26Å; C55-L107 WeakPolarHBondContact SG-CD2 3.48Å; I78-L107 HydrophobicContact CD1-CD1 3.41Å; I78-L107 VanDerWaalsContact CD1-CD1 3.41Å; I78-L107 HydrophobicContact CG1-CD1 4.49Å; T103-L107 HydrophobicContact CG2-CD1 3.97Å; T103-L107 HydrophobicContact CG2-CG 4.47Å; T103-L107 VanDerWaalsContact O-CG 3.31Å; T103-L107 WeakPolarHBondContact O-CG 3.49Å; T103-L107 PolarHBondContact O-N 3.11Å; F104-L107 PolarHBondContact O-N 2.95Å; I105-L107 VanDerWaalsContact C-N 3.32Å; I105-L107 PolarHBondContact O-N 2.9Å; L107-T109 PolarHBondContact O-N 3.33Å; L107-S110 WeakPolarHBondContact O-CB 3.4Å; L107-S110 PolarHBondContact O-N 3.09Å; L107-S110 VanDerWaalsContact O-N 3.16Å; L107-L113 HydrophobicContact CD2-CD1 3.7Å; L107-F144 WeakPolarHBondContact O-CE1 3.5Å
108	N	82	Confident	86.7	Confident	43 Å²	43	57.7 Å²	57.7	23%	0.23	30%	0.302	C	S	.	.	H	α-helix	trans	-66.8	-21.9	-179.2	-74.2	-18.6	0	0	0	113.9	F104 I105 F144 S147	F104-N108 VanDerWaalsContact CE1-ND2 3.29Å; F104-N108 WeakPolarHBondContact CE1-ND2 3.44Å; F104-N108 VanDerWaalsContact CE2-ND2 3.27Å; F104-N108 WeakPolarHBondContact CE2-ND2 3.49Å; F104-N108 WeakPolarHBondContact CZ-ND2 3.43Å; F104-N108 PolarHBondContact O-N 3.24Å; F104-N108 VanDerWaalsContact O-N 3.1Å; I105-N108 PolarHBondContact O-N 3.02Å; N108-F144 WeakPolarHBondContact O-CD1 3.22Å; N108-S147 PolarHBondContact O-OG 2.91Å; N108-S147 VanDerWaalsContact O-OG 3.08Å
109	T	83.1	Confident	87.6	Confident	69 Å²	69	53.3 Å²	53.3	42%	0.423	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	1.2	178.2	56.8	0	0	0	0	113.5	I105 A106 L107 S111	I105-T109 HydrophobicContact CG2-CG2 4.42Å; I105-T109 WeakPolarHBondContact O-CB 3.4Å; I105-T109 WeakPolarHBondContact O-CG2 3.22Å; I105-T109 PolarHBondContact O-N 3.25Å; I105-T109 VanDerWaalsContact O-N 3.09Å; I105-T109 PolarHBondContact O-OG1 2.79Å; A106-T109 PolarHBondContact O-OG1 2.64Å; L107-T109 PolarHBondContact O-N 3.33Å; T109-S111 PolarHBondContact O-N 3.24Å
110	S	90	Very high	88.1	Confident	27 Å²	27	48.7 Å²	48.7	19%	0.189	28%	0.278	C	S	.	.			trans	-74.2	107.3	179.4	178.4	0	0	0	0	111.4	A106 L107 E112 L113 Y114	A106-S110 PolarHBondContact O-N 3.08Å; L107-S110 WeakPolarHBondContact O-CB 3.4Å; L107-S110 PolarHBondContact O-N 3.09Å; L107-S110 VanDerWaalsContact O-N 3.16Å; S110-E112 PolarHBondContact O-N 3.3Å; S110-L113 PolarHBondContact O-N 3.01Å; S110-L113 WeakPolarHBondContact OG-CG 3.38Å; S110-L113 PolarHBondContact OG-N 2.7Å; S110-Y114 WeakPolarHBondContact O-CB 3.35Å; S110-Y114 PolarHBondContact O-N 2.91Å
111	S	89.7	Confident	88.6	Confident	52 Å²	52	50 Å²	50	36%	0.364	29%	0.288	S	S	.	.	H	α-helix	trans	-64.4	-28.9	177.4	57.4	0	0	0	0	113.4	T109 T115	T109-S111 PolarHBondContact O-N 3.24Å; S111-T115 WeakPolarHBondContact O-CB 3.47Å; S111-T115 PolarHBondContact O-N 3.16Å; S111-T115 PolarHBondContact O-OG1 3.13Å
112	E	92	Very high	89.2	Confident	96 Å²	96	52 Å²	52	45%	0.449	30%	0.295	S	S	.	.	H	α-helix	trans	-69.2	-50.2	176.6	-171.3	-169.6	-175.7	0	0	110.9	R59 S110 Y114 T115 V116	R59-E112 VanDerWaalsContact CD-OE1 3.29Å; R59-E112 WeakPolarHBondContact CD-OE1 3.43Å; R59-E112 IonicContact CZ-OE1 3.06Å; R59-E112 IonicContact CZ-OE2 3.8Å; R59-E112 VanDerWaalsContact CZ-OE2 3.27Å; R59-E112 IonicContact NE-OE1 2.64Å; R59-E112 PolarHBondContact NE-OE1 3.1Å; R59-E112 IonicContact NE-OE2 3.2Å; R59-E112 PolarHBondContact NE-OE2 3.42Å; R59-E112 IonicContact NH2-OE2 3.51Å; R59-E112 PolarHBondContact NH2-OE2 3.35Å; S110-E112 PolarHBondContact O-N 3.3Å; E112-Y114 VanDerWaalsContact C-N 3.32Å; E112-Y114 PolarHBondContact O-N 3.46Å; E112-T115 PolarHBondContact O-N 3.48Å; E112-T115 VanDerWaalsContact O-N 3.13Å; E112-V116 WeakPolarHBondContact O-CG2 3.02Å; E112-V116 PolarHBondContact O-N 3.27Å
113	L	93.2	Very high	89.7	Confident	3 Å²	3	54.6 Å²	54.6	2%	0.016	31%	0.305	C	S	.	.	H	α-helix	trans	-60.3	-44.4	176.7	-69	177.7	0	0	0	110.9	C55 V58 L107 S110 T115 V116 F117 F144	C55-L113 HydrophobicContact CB-CD2 4.22Å; V58-L113 HydrophobicContact CB-CD2 4.29Å; V58-L113 HydrophobicContact CG1-CD2 3.9Å; L107-L113 HydrophobicContact CD2-CD1 3.7Å; S110-L113 PolarHBondContact O-N 3.01Å; S110-L113 WeakPolarHBondContact OG-CG 3.38Å; S110-L113 PolarHBondContact OG-N 2.7Å; L113-T115 VanDerWaalsContact C-N 3.33Å; L113-T115 PolarHBondContact O-N 2.87Å; L113-V116 PolarHBondContact O-N 3.05Å; L113-F117 WeakPolarHBondContact O-CB 3.36Å; L113-F117 PolarHBondContact O-N 3.07Å; L113-F144 HydrophobicContact CB-CZ 4.31Å
114	Y	93.8	Very high	90.1	Very high	19 Å²	19	56.8 Å²	56.8	8%	0.075	33%	0.329	C	S	.	.	H	α-helix	trans	-56.2	-46.4	173.9	171.4	-106.5	0	0	0	112.1	S110 E112 F117 R118 L141 F144 E145 V149 H150	S110-Y114 WeakPolarHBondContact O-CB 3.35Å; S110-Y114 PolarHBondContact O-N 2.91Å; E112-Y114 VanDerWaalsContact C-N 3.32Å; E112-Y114 PolarHBondContact O-N 3.46Å; Y114-F117 PolarHBondContact O-N 3.14Å; Y114-R118 HydrophobicContact CE2-CB 4.5Å; Y114-R118 WeakPolarHBondContact O-CB 3.43Å; Y114-R118 PolarHBondContact O-N 3.27Å; Y114-R118 WeakPolarHBondContact OH-CD 3.34Å; Y114-L141 HydrophobicContact CD2-CD1 4.03Å; Y114-L141 HydrophobicContact CE2-CD1 3.46Å; Y114-L141 VanDerWaalsContact CE2-CD1 3.46Å; Y114-L141 HydrophobicContact CE2-CG 4.44Å; Y114-F144 HydrophobicContact CD2-CB 3.6Å; Y114-F144 HydrophobicContact CD2-CD1 4.32Å; Y114-F144 AromaticContact CD2-CG 3.94Å; Y114-F144 HydrophobicContact CD2-CG 3.94Å; Y114-F144 HydrophobicContact CE2-CB 4.13Å; Y114-E145 HydrophobicContact CE2-CG 3.75Å; Y114-E145 PolarHBondContact OH-OE1 3.29Å; Y114-V149 HydrophobicContact CD1-CG1 4.01Å; Y114-V149 HydrophobicContact CD2-CG1 3.62Å; Y114-V149 HydrophobicContact CE1-CG1 4.48Å; Y114-V149 HydrophobicContact CE2-CG1 4.09Å; Y114-V149 HydrophobicContact CG-CG1 3.54Å; Y114-V149 HydrophobicContact CG-CG2 4.28Å; Y114-H150 HydrophobicContact CE1-CB 3.7Å; Y114-H150 HydrophobicContact CE2-CB 4.38Å; Y114-H150 WeakPolarHBondContact OH-CB 3.3Å
115	T	94.3	Very high	90.6	Very high	91 Å²	91	53.2 Å²	53.2	56%	0.558	31%	0.314	S	S	*	.	H	α-helix	trans	-64	-45.7	-177.7	-60.1	0	0	0	0	111.4	S111 E112 L113 G119	S111-T115 WeakPolarHBondContact O-CB 3.47Å; S111-T115 PolarHBondContact O-N 3.16Å; S111-T115 PolarHBondContact O-OG1 3.13Å; E112-T115 PolarHBondContact O-N 3.48Å; E112-T115 VanDerWaalsContact O-N 3.13Å; L113-T115 VanDerWaalsContact C-N 3.33Å; L113-T115 PolarHBondContact O-N 2.87Å; T115-G119 PolarHBondContact O-N 3.21Å
116	V	94.6	Very high	91.3	Very high	49 Å²	49	52 Å²	52	30%	0.297	31%	0.312	S	S	.	.	H	α-helix	trans	-65.8	-46.1	178.7	176.7	0	0	0	0	110.7	V58 M67 E112 L113 G119 S120	V58-V116 HydrophobicContact CG1-CB 4.28Å; V58-V116 HydrophobicContact CG1-CG1 3.78Å; V58-V116 WeakPolarHBondContact O-CG1 3.42Å; M67-V116 HydrophobicContact CE-CG1 3.78Å; E112-V116 WeakPolarHBondContact O-CG2 3.02Å; E112-V116 PolarHBondContact O-N 3.27Å; L113-V116 PolarHBondContact O-N 3.05Å; V116-G119 PolarHBondContact O-N 2.89Å; V116-S120 PolarHBondContact O-N 3.46Å
117	F	95.1	Very high	91.8	Very high	1 Å²	1	53.5 Å²	53.5	0%	0.004	31%	0.309	C	S	.	.	H	α-helix	trans	-61.5	-49.7	178.1	-175.1	-95	0	0	0	111.9	M67 M68 F71 L113 Y114 G119 S120 A121 S137 L140 L141 F144	M67-F117 HydrophobicContact CG-CD2 3.29Å; M67-F117 HydrophobicContact CG-CE2 3.67Å; M67-F117 HydrophobicContact CG-CG 4.33Å; M67-F117 HydrophobicContact SD-CD2 4.24Å; M68-F117 HydrophobicContact SD-CE2 4Å; M68-F117 HydrophobicContact SD-CZ 3.92Å; F71-F117 HydrophobicContact CD1-CD2 4.39Å; F71-F117 HydrophobicContact CD1-CE2 4.46Å; F71-F117 AromaticContact CD2-CD2 3.62Å; F71-F117 HydrophobicContact CD2-CD2 3.62Å; F71-F117 AromaticContact CD2-CE2 3.89Å; F71-F117 HydrophobicContact CD2-CE2 3.89Å; F71-F117 HydrophobicContact CE1-CD2 4.27Å; F71-F117 HydrophobicContact CE2-CB 4.3Å; F71-F117 AromaticContact CE2-CD2 3.45Å; F71-F117 HydrophobicContact CE2-CD2 3.45Å; F71-F117 VanDerWaalsContact CE2-CD2 3.45Å; F71-F117 HydrophobicContact CE2-CE2 4.2Å; F71-F117 HydrophobicContact CE2-CG 4.26Å; F71-F117 HydrophobicContact CG-CD2 4.08Å; F71-F117 HydrophobicContact CG-CE2 4.02Å; F71-F117 HydrophobicContact CZ-CB 4.17Å; F71-F117 AromaticContact CZ-CD2 3.79Å; F71-F117 HydrophobicContact CZ-CD2 3.79Å; F71-F117 HydrophobicContact CZ-CG 4.25Å; L113-F117 WeakPolarHBondContact O-CB 3.36Å; L113-F117 PolarHBondContact O-N 3.07Å; Y114-F117 PolarHBondContact O-N 3.14Å; F117-G119 VanDerWaalsContact C-N 3.28Å; F117-G119 PolarHBondContact O-N 2.92Å; F117-S120 WeakPolarHBondContact O-CB 3.29Å; F117-S120 PolarHBondContact O-N 2.91Å; F117-S120 VanDerWaalsContact O-N 3.11Å; F117-A121 WeakPolarHBondContact O-CB 3.27Å; F117-A121 PolarHBondContact O-N 3.3Å; F117-S137 WeakPolarHBondContact CE1-O 3.36Å; F117-L140 HydrophobicContact CE1-CB 3.99Å; F117-L140 HydrophobicContact CE2-CD1 4.21Å; F117-L140 HydrophobicContact CZ-CB 3.73Å; F117-L140 HydrophobicContact CZ-CD1 3.94Å; F117-L141 HydrophobicContact CD1-CD1 4.19Å; F117-L141 HydrophobicContact CE1-CB 4.19Å; F117-F144 HydrophobicContact CD1-CD2 4.42Å; F117-F144 HydrophobicContact CD1-CE2 4.41Å; F117-F144 HydrophobicContact CG-CE2 4.37Å
118	R	94.9	Very high	92.1	Very high	112 Å²	112	59.6 Å²	59.6	42%	0.423	34%	0.341	S	S	.	.	H	α-helix	trans	-59.3	-40.6	176.6	-177.6	179	-174.6	-85.2	-2.1	111.7	Y114 S120 A121 L122 L141	Y114-R118 HydrophobicContact CE2-CB 4.5Å; Y114-R118 WeakPolarHBondContact O-CB 3.43Å; Y114-R118 PolarHBondContact O-N 3.27Å; Y114-R118 WeakPolarHBondContact OH-CD 3.34Å; R118-S120 VanDerWaalsContact C-N 3.33Å; R118-A121 PolarHBondContact O-N 3.5Å; R118-L122 HydrophobicContact CG-CD1 3.7Å; R118-L122 HydrophobicContact CG-CG 4.21Å; R118-L122 VanDerWaalsContact CZ-CD1 3.41Å; R118-L122 WeakPolarHBondContact O-CB 3.29Å; R118-L122 WeakPolarHBondContact O-CG 3.46Å; R118-L122 PolarHBondContact O-N 2.71Å; R118-L141 HydrophobicContact CB-CD1 3.82Å; R118-L141 HydrophobicContact CG-CD1 4.05Å
119	G	94.4	Very high	92.7	Very high	25 Å²	25	58.5 Å²	58.5	26%	0.258	34%	0.335	S	S	.	.	H	α-helix	trans	-57.3	-47.5	174.3	0	0	0	0	0	111.6	T115 V116 F117 N123	T115-G119 PolarHBondContact O-N 3.21Å; V116-G119 PolarHBondContact O-N 2.89Å; F117-G119 VanDerWaalsContact C-N 3.28Å; F117-G119 PolarHBondContact O-N 2.92Å; G119-N123 VanDerWaalsContact O-CB 3.26Å; G119-N123 WeakPolarHBondContact O-CB 3.31Å; G119-N123 PolarHBondContact O-N 3.48Å; G119-N123 PolarHBondContact O-ND2 3.03Å
120	S	93.7	Very high	93.2	Very high	9 Å²	9	58 Å²	58	6%	0.063	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-40.9	176.3	-172.7	0	0	0	0	113	V116 F117 R118 G124 D125	V116-S120 PolarHBondContact O-N 3.46Å; F117-S120 WeakPolarHBondContact O-CB 3.29Å; F117-S120 PolarHBondContact O-N 2.91Å; F117-S120 VanDerWaalsContact O-N 3.11Å; R118-S120 VanDerWaalsContact C-N 3.33Å; S120-G124 WeakPolarHBondContact CA-O 3.45Å; S120-G124 CarbonylContact O-C 3.58Å; S120-G124 WeakPolarHBondContact O-CA 3.41Å; S120-G124 PolarHBondContact O-N 3.16Å; S120-G124 VanDerWaalsContact O-O 3.13Å; S120-D125 VanDerWaalsContact OG-CB 3.25Å; S120-D125 WeakPolarHBondContact OG-CB 3.29Å; S120-D125 PolarHBondContact OG-OD1 3.36Å; S120-D125 VanDerWaalsContact OG-OD1 3.08Å
121	A	92	Very high	93.4	Very high	28 Å²	28	64.6 Å²	64.6	23%	0.231	36%	0.358	C	S	.	.	H	α-helix	trans	-68.6	-39.6	-178.4	0	0	0	0	0	112.5	F117 R118 S137	F117-A121 WeakPolarHBondContact O-CB 3.27Å; F117-A121 PolarHBondContact O-N 3.3Å; R118-A121 PolarHBondContact O-N 3.5Å; A121-S137 VanDerWaalsContact CB-OG 3.29Å; A121-S137 WeakPolarHBondContact CB-OG 3.35Å
122	L	91.9	Very high	93.5	Very high	92 Å²	92	64.3 Å²	64.3	48%	0.482	35%	0.352	S	S	.	.	H	α-helix	trans	-91.4	-35.2	-174.8	-63.9	-179.7	0	0	0	113.9	R118	R118-L122 HydrophobicContact CG-CD1 3.7Å; R118-L122 HydrophobicContact CG-CG 4.21Å; R118-L122 VanDerWaalsContact CZ-CD1 3.41Å; R118-L122 WeakPolarHBondContact O-CB 3.29Å; R118-L122 WeakPolarHBondContact O-CG 3.46Å; R118-L122 PolarHBondContact O-N 2.71Å
123	N	92.9	Very high	93.7	Very high	143 Å²	143	59.7 Å²	59.7	77%	0.765	33%	0.331	S	S	*	.	H	α-helix	trans	-106.7	0.1	-171.7	-52.2	-48.2	0	0	0	113.6	G119	G119-N123 VanDerWaalsContact O-CB 3.26Å; G119-N123 WeakPolarHBondContact O-CB 3.31Å; G119-N123 PolarHBondContact O-N 3.48Å; G119-N123 PolarHBondContact O-ND2 3.03Å
124	G	91.2	Very high	93.7	Very high	51 Å²	51	66 Å²	66	53%	0.526	35%	0.354	S	S	.	.			trans	101.7	153.9	-175	0	0	0	0	0	112.8	S120	S120-G124 WeakPolarHBondContact CA-O 3.45Å; S120-G124 CarbonylContact O-C 3.58Å; S120-G124 WeakPolarHBondContact O-CA 3.41Å; S120-G124 PolarHBondContact O-N 3.16Å; S120-G124 VanDerWaalsContact O-O 3.13Å
125	D	94.6	Very high	93.7	Very high	28 Å²	28	67.9 Å²	67.9	15%	0.15	37%	0.365	C	S	.	.			trans	-108.9	175.5	180	-164.9	6.7	0	0	0	110.6	R63 K66 M67 S120 Q127 L129	R63-D125 IonicContact CZ-OD1 2.69Å; R63-D125 IonicContact NH1-OD1 3.01Å; R63-D125 PolarHBondContact NH1-OD1 3.16Å; R63-D125 IonicContact NH1-OD2 2.72Å; R63-D125 IonicContact NH2-OD1 3.67Å; R63-D125 PolarHBondContact NH2-OD1 3.18Å; K66-D125 VanDerWaalsContact CA-OD2 3.27Å; K66-D125 WeakPolarHBondContact CA-OD2 3.39Å; M67-D125 PolarHBondContact N-OD2 3.18Å; S120-D125 VanDerWaalsContact OG-CB 3.25Å; S120-D125 WeakPolarHBondContact OG-CB 3.29Å; S120-D125 PolarHBondContact OG-OD1 3.36Å; S120-D125 VanDerWaalsContact OG-OD1 3.08Å; D125-Q127 PolarHBondContact O-N 3.01Å; D125-L129 HydrophobicContact CB-CD1 4.26Å; D125-L129 HydrophobicContact CB-CD2 3.84Å; D125-L129 HydrophobicContact CB-CG 4.05Å
126	V	93.6	Very high	93.6	Very high	75 Å²	75	63.6 Å²	63.6	46%	0.455	34%	0.339	S	S	.	.	S	Bend	trans	-63.3	-18	177.7	-63	0	0	0	0	113.2	R63 R65	R63-V126 VanDerWaalsContact NH1-CG2 3.32Å; R65-V126 VanDerWaalsContact O-CG2 3.3Å; R65-V126 WeakPolarHBondContact O-CG2 3.16Å
127	Q	93.7	Very high	93.6	Very high	86 Å²	86	61.5 Å²	61.5	40%	0.402	33%	0.326	S	S	.	.	S	Bend	trans	-134.1	160.6	170.6	-57.8	179.4	31.5	0	0	109.4	T64 K66 D125 L129	T64-Q127 PolarHBondContact O-NE2 3.34Å; K66-Q127 HydrophobicContact CD-CB 4.47Å; K66-Q127 HydrophobicContact CG-CB 3.86Å; K66-Q127 HydrophobicContact CG-CG 4.3Å; D125-Q127 PolarHBondContact O-N 3.01Å; Q127-L129 PolarHBondContact O-N 3.39Å
128	D	93.5	Very high	93.5	Very high	152 Å²	152	65.1 Å²	65.1	81%	0.813	35%	0.346	S	S	*	.			trans	-63.7	128.9	176.4	-69.9	-34	0	0	0	111.3	K66	K66-D128 VanDerWaalsContact CE-O 3.25Å; K66-D128 WeakPolarHBondContact CE-O 2.97Å; K66-D128 PolarHBondContact NZ-O 3.41Å
129	L	94.3	Very high	93.3	Very high	20 Å²	20	61.9 Å²	61.9	11%	0.105	34%	0.336	C	S	.	.			trans	-82.8	132.1	172.1	-55.8	-175.9	0	0	0	108.5	K66 D125 Q127 D133 R134	K66-L129 HydrophobicContact CD-CD2 4.32Å; K66-L129 HydrophobicContact CG-CD2 4.47Å; D125-L129 HydrophobicContact CB-CD1 4.26Å; D125-L129 HydrophobicContact CB-CD2 3.84Å; D125-L129 HydrophobicContact CB-CG 4.05Å; Q127-L129 PolarHBondContact O-N 3.39Å; L129-D133 HydrophobicContact CB-CB 3.76Å; L129-D133 HydrophobicContact CD2-CB 4.03Å; L129-D133 HydrophobicContact CG-CB 4.4Å; L129-R134 HydrophobicContact CB-CG 4.18Å; L129-R134 PolarHBondContact O-NH1 3.2Å; L129-R134 PolarHBondContact O-NH2 3.12Å
130	D	94.4	Very high	93.1	Very high	58 Å²	58	61.8 Å²	61.8	31%	0.31	33%	0.33	S	S	.	.			trans	-86.9	-168.7	170.1	70.8	12.4	0	0	0	111.7	I132 D133 R134 R437	D130-I132 PolarHBondContact OD1-N 3.41Å; D130-I132 VanDerWaalsContact OD1-N 3.14Å; D130-D133 PolarHBondContact N-OD2 3.13Å; D130-D133 VanDerWaalsContact N-OD2 3.17Å; D130-D133 PolarHBondContact OD1-N 3.36Å; D130-R134 WeakPolarHBondContact O-CG 3.46Å; D130-R134 PolarHBondContact O-N 2.71Å; D130-R134 VanDerWaalsContact O-N 3.13Å; D130-R134 PolarHBondContact O-NH1 2.75Å; D130-R437 IonicContact OD1-NH1 3.93Å; D130-R437 PolarHBondContact OD1-NH1 3.09Å; D130-R437 IonicContact OD2-CZ 2.96Å; D130-R437 IonicContact OD2-NH1 3.04Å; D130-R437 PolarHBondContact OD2-NH1 3.34Å; D130-R437 IonicContact OD2-NH2 3.86Å; D130-R437 PolarHBondContact OD2-NH2 3.32Å
131	E	93.2	Very high	93	Very high	166 Å²	166	62 Å²	62	78%	0.776	33%	0.331	S	S	*	.	H	α-helix	trans	-64.8	-42.6	-178.5	-173.6	175.8	-177.2	0	0	112.4	R134 L135	E131-R134 PolarHBondContact O-N 3.49Å; E131-L135 PolarHBondContact O-N 2.8Å
132	I	93.3	Very high	92.8	Very high	46 Å²	46	65 Å²	65	24%	0.236	34%	0.336	C	S	.	.	H	α-helix	trans	-66.6	-44.7	179.4	-61.6	176.7	0	0	0	109.6	D130 R134 L135 V136 R437 Y438 E592	D130-I132 PolarHBondContact OD1-N 3.41Å; D130-I132 VanDerWaalsContact OD1-N 3.14Å; I132-R134 VanDerWaalsContact C-N 3.29Å; I132-R134 PolarHBondContact O-N 2.69Å; I132-L135 PolarHBondContact O-N 3.02Å; I132-V136 HydrophobicContact CG2-CG2 4.35Å; I132-V136 WeakPolarHBondContact O-CG2 3.38Å; I132-V136 PolarHBondContact O-N 2.91Å; I132-R437 HydrophobicContact CG2-CB 4.46Å; I132-Y438 HydrophobicContact CG2-CD2 4.13Å; I132-Y438 HydrophobicContact CG2-CE2 4.18Å; I132-E592 HydrophobicContact CG2-CG 4.35Å
133	D	95.1	Very high	92.6	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-57	-44.7	176.9	-65.3	-20	0	0	0	111.1	K66 M68 L129 D130 S137 R437 Y438	K66-D133 IonicContact NZ-OD2 2.83Å; K66-D133 PolarHBondContact NZ-OD2 2.67Å; M68-D133 HydrophobicContact CG-CB 4.33Å; L129-D133 HydrophobicContact CB-CB 3.76Å; L129-D133 HydrophobicContact CD2-CB 4.03Å; L129-D133 HydrophobicContact CG-CB 4.4Å; D130-D133 PolarHBondContact N-OD2 3.13Å; D130-D133 VanDerWaalsContact N-OD2 3.17Å; D130-D133 PolarHBondContact OD1-N 3.36Å; D133-S137 WeakPolarHBondContact O-CB 3.22Å; D133-S137 PolarHBondContact O-N 3.05Å; D133-R437 IonicContact OD1-NH1 3.14Å; D133-R437 PolarHBondContact OD1-NH1 3.04Å; D133-R437 VanDerWaalsContact OD1-NH1 3.08Å; D133-R437 IonicContact OD2-NH1 3.59Å; D133-Y438 VanDerWaalsContact OD1-CE2 3.29Å; D133-Y438 WeakPolarHBondContact OD1-CE2 3.34Å; D133-Y438 VanDerWaalsContact OD1-CZ 3.3Å; D133-Y438 PolarHBondContact OD1-OH 3.37Å
134	R	94.3	Very high	92.4	Very high	135 Å²	135	57.8 Å²	57.8	51%	0.509	30%	0.298	S	S	.	.	H	α-helix	trans	-66.6	-41.8	177.6	-72.9	-177.6	-169.3	82.5	4.2	112.5	L129 D130 E131 I132 S137 N138	L129-R134 HydrophobicContact CB-CG 4.18Å; L129-R134 PolarHBondContact O-NH1 3.2Å; L129-R134 PolarHBondContact O-NH2 3.12Å; D130-R134 WeakPolarHBondContact O-CG 3.46Å; D130-R134 PolarHBondContact O-N 2.71Å; D130-R134 VanDerWaalsContact O-N 3.13Å; D130-R134 PolarHBondContact O-NH1 2.75Å; E131-R134 PolarHBondContact O-N 3.49Å; I132-R134 VanDerWaalsContact C-N 3.29Å; I132-R134 PolarHBondContact O-N 2.69Å; R134-S137 PolarHBondContact O-N 3.34Å; R134-N138 WeakPolarHBondContact O-CB 3.36Å; R134-N138 VanDerWaalsContact O-CG 3.28Å; R134-N138 PolarHBondContact O-N 3.1Å; R134-N138 PolarHBondContact O-ND2 3.01Å
135	L	92.3	Very high	92.4	Very high	58 Å²	58	58 Å²	58	30%	0.304	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-54.8	178.6	177.6	70.9	0	0	0	110.6	E131 I132 S137 N138 L139 E592	E131-L135 PolarHBondContact O-N 2.8Å; I132-L135 PolarHBondContact O-N 3.02Å; L135-S137 VanDerWaalsContact C-N 3.28Å; L135-S137 PolarHBondContact O-N 3.01Å; L135-N138 WeakPolarHBondContact O-CB 3.38Å; L135-N138 PolarHBondContact O-N 2.79Å; L135-N138 VanDerWaalsContact O-N 3.16Å; L135-L139 HydrophobicContact CG-CD1 4.48Å; L135-L139 WeakPolarHBondContact O-CG 3.37Å; L135-L139 PolarHBondContact O-N 2.85Å; L135-E592 WeakPolarHBondContact CD2-O 3.29Å
136	V	93.2	Very high	91.9	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.006	30%	0.299	C	S	.	.	H	α-helix	trans	-67.2	-33.3	-178.3	-174.9	0	0	0	0	110.6	M68 I132 N138 L139 L140 Y438 H440 V441	M68-V136 HydrophobicContact CE-CB 3.59Å; M68-V136 HydrophobicContact CE-CG1 3.4Å; M68-V136 VanDerWaalsContact CE-CG1 3.4Å; I132-V136 HydrophobicContact CG2-CG2 4.35Å; I132-V136 WeakPolarHBondContact O-CG2 3.38Å; I132-V136 PolarHBondContact O-N 2.91Å; V136-N138 PolarHBondContact O-N 2.98Å; V136-L139 PolarHBondContact O-N 3.23Å; V136-L140 HydrophobicContact CG1-CD1 4.45Å; V136-L140 WeakPolarHBondContact O-CG 3.35Å; V136-L140 PolarHBondContact O-N 2.72Å; V136-Y438 HydrophobicContact CB-CD2 3.99Å; V136-Y438 HydrophobicContact CG1-CD2 4.11Å; V136-Y438 HydrophobicContact CG1-CG 4.33Å; V136-Y438 HydrophobicContact CG2-CD2 3.79Å; V136-H440 HydrophobicContact CG1-CB 3.92Å; V136-V441 HydrophobicContact CG2-CG1 3.96Å; V136-V441 HydrophobicContact CG2-CG2 3.9Å
137	S	94.3	Very high	91.6	Very high	5 Å²	5	57.9 Å²	57.9	4%	0.035	29%	0.287	C	S	.	.	H	α-helix	trans	-59.9	-44.5	172.3	-174.3	0	0	0	0	112.2	M68 F117 A121 D133 R134 L135 L139 L140 L141	M68-S137 VanDerWaalsContact SD-CA 3.54Å; M68-S137 VanDerWaalsContact SD-CB 3.53Å; F117-S137 WeakPolarHBondContact CE1-O 3.36Å; A121-S137 VanDerWaalsContact CB-OG 3.29Å; A121-S137 WeakPolarHBondContact CB-OG 3.35Å; D133-S137 WeakPolarHBondContact O-CB 3.22Å; D133-S137 PolarHBondContact O-N 3.05Å; R134-S137 PolarHBondContact O-N 3.34Å; L135-S137 VanDerWaalsContact C-N 3.28Å; L135-S137 PolarHBondContact O-N 3.01Å; S137-L139 PolarHBondContact O-N 3.2Å; S137-L140 PolarHBondContact O-N 3.48Å; S137-L141 WeakPolarHBondContact O-CB 3.32Å; S137-L141 PolarHBondContact O-N 2.6Å
138	N	92.5	Very high	91.4	Very high	78 Å²	78	53.8 Å²	53.8	42%	0.417	27%	0.268	S	S	.	.	H	α-helix	trans	-66	-36.6	176.9	-74.1	-39.5	0	0	0	112.6	R134 L135 V136 R142	R134-N138 WeakPolarHBondContact O-CB 3.36Å; R134-N138 VanDerWaalsContact O-CG 3.28Å; R134-N138 PolarHBondContact O-N 3.1Å; R134-N138 PolarHBondContact O-ND2 3.01Å; L135-N138 WeakPolarHBondContact O-CB 3.38Å; L135-N138 PolarHBondContact O-N 2.79Å; L135-N138 VanDerWaalsContact O-N 3.16Å; V136-N138 PolarHBondContact O-N 2.98Å; N138-R142 VanDerWaalsContact O-CG 3.31Å; N138-R142 WeakPolarHBondContact O-CG 3.34Å; N138-R142 PolarHBondContact O-N 3.4Å; N138-R142 VanDerWaalsContact O-N 3.11Å
139	L	90.4	Very high	91.3	Very high	43 Å²	43	46.9 Å²	46.9	23%	0.225	23%	0.231	C	C	.	.	H	α-helix	trans	-64.5	-50.7	174.9	-67.5	173.8	0	0	0	111.1	L135 V136 S137 L141 R142 D143 V441	L135-L139 HydrophobicContact CG-CD1 4.48Å; L135-L139 WeakPolarHBondContact O-CG 3.37Å; L135-L139 PolarHBondContact O-N 2.85Å; V136-L139 PolarHBondContact O-N 3.23Å; S137-L139 PolarHBondContact O-N 3.2Å; L139-L141 VanDerWaalsContact C-N 3.3Å; L139-L141 PolarHBondContact O-N 2.76Å; L139-R142 WeakPolarHBondContact O-CB 3.45Å; L139-R142 PolarHBondContact O-N 3.24Å; L139-R142 VanDerWaalsContact O-N 3.1Å; L139-D143 PolarHBondContact O-N 2.88Å; L139-V441 HydrophobicContact CD1-CG1 3.61Å
140	L	91.2	Very high	91.1	Very high	23 Å²	23	49 Å²	49	12%	0.12	24%	0.24	C	C	.	.	H	α-helix	trans	-59.6	-40	176.5	-73.6	175.7	0	0	0	112.3	M68 F71 F117 V136 S137 R142 D143 F144	M68-L140 HydrophobicContact CE-CD1 3.61Å; M68-L140 HydrophobicContact SD-CD1 4.27Å; F71-L140 HydrophobicContact CB-CD1 4.01Å; F117-L140 HydrophobicContact CE1-CB 3.99Å; F117-L140 HydrophobicContact CE2-CD1 4.21Å; F117-L140 HydrophobicContact CZ-CB 3.73Å; F117-L140 HydrophobicContact CZ-CD1 3.94Å; V136-L140 HydrophobicContact CG1-CD1 4.45Å; V136-L140 WeakPolarHBondContact O-CG 3.35Å; V136-L140 PolarHBondContact O-N 2.72Å; S137-L140 PolarHBondContact O-N 3.48Å; L140-R142 VanDerWaalsContact C-N 3.31Å; L140-R142 PolarHBondContact O-N 3.12Å; L140-D143 PolarHBondContact O-N 3.07Å; L140-F144 WeakPolarHBondContact O-CD2 3.37Å; L140-F144 PolarHBondContact O-N 3.37Å
141	L	92	Very high	91.1	Very high	15 Å²	15	46.8 Å²	46.8	8%	0.079	23%	0.228	C	C	.	.	H	α-helix	trans	-61.4	-41.4	176.7	-172.1	67.6	0	0	0	111.3	Y114 F117 R118 S137 L139 F144 E145	Y114-L141 HydrophobicContact CD2-CD1 4.03Å; Y114-L141 HydrophobicContact CE2-CD1 3.46Å; Y114-L141 VanDerWaalsContact CE2-CD1 3.46Å; Y114-L141 HydrophobicContact CE2-CG 4.44Å; F117-L141 HydrophobicContact CD1-CD1 4.19Å; F117-L141 HydrophobicContact CE1-CB 4.19Å; R118-L141 HydrophobicContact CB-CD1 3.82Å; R118-L141 HydrophobicContact CG-CD1 4.05Å; S137-L141 WeakPolarHBondContact O-CB 3.32Å; S137-L141 PolarHBondContact O-N 2.6Å; L139-L141 VanDerWaalsContact C-N 3.3Å; L139-L141 PolarHBondContact O-N 2.76Å; L141-F144 WeakPolarHBondContact O-CB 3.46Å; L141-F144 PolarHBondContact O-N 2.82Å; L141-E145 WeakPolarHBondContact O-CB 3.3Å; L141-E145 VanDerWaalsContact O-CG 3.26Å; L141-E145 WeakPolarHBondContact O-CG 3.3Å; L141-E145 PolarHBondContact O-N 3.29Å
142	R	87.9	Confident	91.1	Very high	89 Å²	89	42.8 Å²	42.8	34%	0.336	22%	0.216	S	C	.	.	H	α-helix	trans	-67	-36.3	175.8	-73	173.7	-176.6	175.7	1.8	112.4	N138 L139 L140 E145 T146	N138-R142 VanDerWaalsContact O-CG 3.31Å; N138-R142 WeakPolarHBondContact O-CG 3.34Å; N138-R142 PolarHBondContact O-N 3.4Å; N138-R142 VanDerWaalsContact O-N 3.11Å; L139-R142 WeakPolarHBondContact O-CB 3.45Å; L139-R142 PolarHBondContact O-N 3.24Å; L139-R142 VanDerWaalsContact O-N 3.1Å; L140-R142 VanDerWaalsContact C-N 3.31Å; L140-R142 PolarHBondContact O-N 3.12Å; R142-E145 CarbonylContact O-C 3.35Å; R142-E145 PolarHBondContact O-N 2.72Å; R142-T146 WeakPolarHBondContact O-CB 3.49Å; R142-T146 PolarHBondContact O-N 3.4Å; R142-T146 PolarHBondContact O-OG1 3.09Å
143	D	87	Confident	90.9	Very high	80 Å²	80	45.7 Å²	45.7	43%	0.428	23%	0.229	S	C	.	.	H	α-helix	trans	-65	-42.4	175.7	-79.9	3.1	0	0	0	111.5	L139 L140 T146 H440	L139-D143 PolarHBondContact O-N 2.88Å; L140-D143 PolarHBondContact O-N 3.07Å; D143-T146 WeakPolarHBondContact O-CB 3.26Å; D143-T146 PolarHBondContact O-N 3.44Å; D143-H440 IonicContact OD2-CE1 3.65Å; D143-H440 PolarHBondContact OD2-CE1 3.19Å; D143-H440 IonicContact OD2-NE2 3.96Å
144	F	89.4	Confident	90.8	Very high	5 Å²	5	53.7 Å²	53.7	2%	0.022	27%	0.267	C	S	.	.	H	α-helix	trans	-55.7	-52	167.9	-90.4	-68.1	0	0	0	111.1	F71 L107 N108 L113 Y114 F117 L140 L141 T146 S147 V149	F71-F144 HydrophobicContact CD1-CE2 4.36Å; F71-F144 AromaticContact CE1-CE2 3.54Å; F71-F144 HydrophobicContact CE1-CE2 3.54Å; F71-F144 AromaticContact CE1-CZ 3.56Å; F71-F144 HydrophobicContact CE1-CZ 3.56Å; F71-F144 HydrophobicContact CZ-CE2 4.06Å; F71-F144 AromaticContact CZ-CZ 4Å; F71-F144 HydrophobicContact CZ-CZ 4Å; L107-F144 WeakPolarHBondContact O-CE1 3.5Å; N108-F144 WeakPolarHBondContact O-CD1 3.22Å; L113-F144 HydrophobicContact CB-CZ 4.31Å; Y114-F144 HydrophobicContact CD2-CB 3.6Å; Y114-F144 HydrophobicContact CD2-CD1 4.32Å; Y114-F144 AromaticContact CD2-CG 3.94Å; Y114-F144 HydrophobicContact CD2-CG 3.94Å; Y114-F144 HydrophobicContact CE2-CB 4.13Å; F117-F144 HydrophobicContact CD1-CD2 4.42Å; F117-F144 HydrophobicContact CD1-CE2 4.41Å; F117-F144 HydrophobicContact CG-CE2 4.37Å; L140-F144 WeakPolarHBondContact O-CD2 3.37Å; L140-F144 PolarHBondContact O-N 3.37Å; L141-F144 WeakPolarHBondContact O-CB 3.46Å; L141-F144 PolarHBondContact O-N 2.82Å; F144-T146 PolarHBondContact O-N 2.83Å; F144-S147 WeakPolarHBondContact O-CB 3.46Å; F144-S147 PolarHBondContact O-N 3.38Å; F144-S147 PolarHBondContact O-OG 3.35Å; F144-V149 HydrophobicContact CB-CG1 3.98Å; F144-V149 HydrophobicContact CD1-CG1 4.26Å; F144-V149 WeakPolarHBondContact O-CG1 3.34Å
145	E	90.3	Very high	90.8	Very high	55 Å²	55	51.3 Å²	51.3	26%	0.257	26%	0.261	S	S	.	.	H	α-helix	trans	-64.3	-28.5	-176.7	-71.9	173.9	172.7	0	0	112.7	Y114 L141 R142 S147 G148 H150	Y114-E145 HydrophobicContact CE2-CG 3.75Å; Y114-E145 PolarHBondContact OH-OE1 3.29Å; L141-E145 WeakPolarHBondContact O-CB 3.3Å; L141-E145 VanDerWaalsContact O-CG 3.26Å; L141-E145 WeakPolarHBondContact O-CG 3.3Å; L141-E145 PolarHBondContact O-N 3.29Å; R142-E145 CarbonylContact O-C 3.35Å; R142-E145 PolarHBondContact O-N 2.72Å; E145-S147 PolarHBondContact O-N 2.97Å; E145-G148 WeakPolarHBondContact O-CA 3.24Å; E145-G148 PolarHBondContact O-N 2.92Å; E145-H150 WeakPolarHBondContact CA-ND1 3.46Å; E145-H150 HydrophobicContact CG-CB 4.06Å; E145-H150 PolarHBondContact O-CE1 3.5Å; E145-H150 PolarHBondContact O-ND1 3.12Å
146	T	84.6	Confident	90.8	Very high	74 Å²	74	51.9 Å²	51.9	45%	0.454	26%	0.259	S	S	.	.	H	α-helix	trans	-64.1	-21.7	174.7	-66.7	0	0	0	0	112.5	R142 D143 F144 G148 F159 R237	R142-T146 WeakPolarHBondContact O-CB 3.49Å; R142-T146 PolarHBondContact O-N 3.4Å; R142-T146 PolarHBondContact O-OG1 3.09Å; D143-T146 WeakPolarHBondContact O-CB 3.26Å; D143-T146 PolarHBondContact O-N 3.44Å; F144-T146 PolarHBondContact O-N 2.83Å; T146-G148 VanDerWaalsContact C-N 3.31Å; T146-F159 WeakPolarHBondContact O-CE1 3.31Å; T146-F159 VanDerWaalsContact O-CZ 3.22Å; T146-F159 WeakPolarHBondContact O-CZ 3.37Å; T146-R237 VanDerWaalsContact CG2-NH2 3.29Å; T146-R237 PolarHBondContact O-NH2 3.46Å
147	S	85.7	Confident	90.8	Very high	27 Å²	27	60 Å²	60	19%	0.189	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.2	171.2	78.2	0	0	0	0	114.1	N108 F144 E145 V149 F159	N108-S147 PolarHBondContact O-OG 2.91Å; N108-S147 VanDerWaalsContact O-OG 3.08Å; F144-S147 WeakPolarHBondContact O-CB 3.46Å; F144-S147 PolarHBondContact O-N 3.38Å; F144-S147 PolarHBondContact O-OG 3.35Å; E145-S147 PolarHBondContact O-N 2.97Å; S147-V149 VanDerWaalsContact C-N 3.27Å; S147-V149 PolarHBondContact O-N 2.61Å; S147-V149 WeakPolarHBondContact OG-CB 3.41Å; S147-V149 PolarHBondContact OG-N 3.27Å; S147-F159 WeakPolarHBondContact O-CD1 3.41Å; S147-F159 WeakPolarHBondContact O-CE1 3.31Å
148	G	90.3	Very high	90.8	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	11.3	-174.9	0	0	0	0	0	113.9	E145 T146 H150 L151 R156	E145-G148 WeakPolarHBondContact O-CA 3.24Å; E145-G148 PolarHBondContact O-N 2.92Å; T146-G148 VanDerWaalsContact C-N 3.31Å; G148-H150 PolarHBondContact O-N 3.09Å; G148-L151 WeakPolarHBondContact O-CB 3.23Å; G148-L151 WeakPolarHBondContact O-CG 3.44Å; G148-L151 PolarHBondContact O-N 3.49Å; G148-L151 VanDerWaalsContact O-N 3.07Å; G148-R156 WeakPolarHBondContact O-CG 3.47Å
149	V	91.3	Very high	90.9	Very high	6 Å²	6	60.9 Å²	60.9	4%	0.036	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.9	-175.7	71.4	0	0	0	0	113.9	Y114 F144 S147 L151 R156	Y114-V149 HydrophobicContact CD1-CG1 4.01Å; Y114-V149 HydrophobicContact CD2-CG1 3.62Å; Y114-V149 HydrophobicContact CE1-CG1 4.48Å; Y114-V149 HydrophobicContact CE2-CG1 4.09Å; Y114-V149 HydrophobicContact CG-CG1 3.54Å; Y114-V149 HydrophobicContact CG-CG2 4.28Å; F144-V149 HydrophobicContact CB-CG1 3.98Å; F144-V149 HydrophobicContact CD1-CG1 4.26Å; F144-V149 WeakPolarHBondContact O-CG1 3.34Å; S147-V149 VanDerWaalsContact C-N 3.27Å; S147-V149 PolarHBondContact O-N 2.61Å; S147-V149 WeakPolarHBondContact OG-CB 3.41Å; S147-V149 PolarHBondContact OG-N 3.27Å; V149-L151 VanDerWaalsContact C-N 3.31Å; V149-L151 PolarHBondContact O-N 2.97Å; V149-R156 PolarHBondContact O-NH1 3.01Å
150	H	91.5	Very high	90.9	Very high	65 Å²	65	62.5 Å²	62.5	30%	0.301	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-17.1	-179.1	67	-76.7	0	0	0	113.9	Y114 E145 G148	Y114-H150 HydrophobicContact CE1-CB 3.7Å; Y114-H150 HydrophobicContact CE2-CB 4.38Å; Y114-H150 WeakPolarHBondContact OH-CB 3.3Å; E145-H150 WeakPolarHBondContact CA-ND1 3.46Å; E145-H150 HydrophobicContact CG-CB 4.06Å; E145-H150 PolarHBondContact O-CE1 3.5Å; E145-H150 PolarHBondContact O-ND1 3.12Å; G148-H150 PolarHBondContact O-N 3.09Å
151	L	93.2	Very high	91.1	Very high	12 Å²	12	64.1 Å²	64.1	6%	0.063	32%	0.318	C	S	.	.	S	Bend	trans	-73.3	148.5	-175.6	-61.3	175	0	0	0	111.2	G148 V149 Q155 R156 F159 L228	G148-L151 WeakPolarHBondContact O-CB 3.23Å; G148-L151 WeakPolarHBondContact O-CG 3.44Å; G148-L151 PolarHBondContact O-N 3.49Å; G148-L151 VanDerWaalsContact O-N 3.07Å; V149-L151 VanDerWaalsContact C-N 3.31Å; V149-L151 PolarHBondContact O-N 2.97Å; L151-Q155 HydrophobicContact CB-CB 4.05Å; L151-Q155 HydrophobicContact CD1-CB 4.48Å; L151-R156 HydrophobicContact CB-CB 4.08Å; L151-F159 HydrophobicContact CD1-CB 3.9Å; L151-F159 HydrophobicContact CD1-CD2 3.55Å; L151-F159 HydrophobicContact CD1-CE2 4.33Å; L151-F159 HydrophobicContact CD1-CG 3.96Å; L151-L228 HydrophobicContact CD1-CB 4.24Å; L151-L228 VanDerWaalsContact CD2-O 3.24Å; L151-L228 WeakPolarHBondContact CD2-O 3.32Å
152	P	92.7	Very high	91.3	Very high	81 Å²	81	63.9 Å²	63.9	53%	0.526	32%	0.316	S	S	.	.			trans	-53.3	148.5	169.1	-24.1	33.4	0	0	0	111.3	Q154 Q155 R156	P152-Q154 VanDerWaalsContact C-N 3.28Å; P152-Q154 PolarHBondContact O-N 2.74Å; P152-Q155 PolarHBondContact O-N 3.13Å; P152-R156 PolarHBondContact O-N 3.21Å
153	E	90.3	Very high	91.5	Very high	108 Å²	108	61.7 Å²	61.7	51%	0.505	32%	0.315	S	S	.	.	H	α-helix	trans	-49.5	-43.7	-168.4	-173.4	179.5	-177.5	0	0	114.3	R156 R157	E153-R156 PolarHBondContact O-N 3.46Å; E153-R157 VanDerWaalsContact O-CG 3.32Å; E153-R157 WeakPolarHBondContact O-CG 3.27Å; E153-R157 PolarHBondContact O-N 3.25Å; E153-R157 IonicContact OE1-CZ 3.91Å; E153-R157 IonicContact OE1-NE 3.65Å; E153-R157 PolarHBondContact OE1-NE 3.02Å; E153-R157 IonicContact OE1-NH2 3.61Å; E153-R157 PolarHBondContact OE1-NH2 3.18Å
154	Q	92.7	Very high	91.8	Very high	168 Å²	168	60.8 Å²	60.8	79%	0.785	32%	0.318	S	S	*	.	H	α-helix	trans	-64.3	-45.8	178.6	-173.2	-179	10.6	0	0	112.4	P152 R157 K158	P152-Q154 VanDerWaalsContact C-N 3.28Å; P152-Q154 PolarHBondContact O-N 2.74Å; Q154-R157 PolarHBondContact O-N 3.49Å; Q154-K158 PolarHBondContact O-N 3.13Å; Q154-K158 VanDerWaalsContact O-N 3.16Å
155	Q	95.1	Very high	92.1	Very high	85 Å²	85	63.9 Å²	63.9	40%	0.397	33%	0.333	S	S	.	.	H	α-helix	trans	-67.4	-39.5	177.4	-69	-176.9	14.9	0	0	111	L151 P152 K158 F159 L228	L151-Q155 HydrophobicContact CB-CB 4.05Å; L151-Q155 HydrophobicContact CD1-CB 4.48Å; P152-Q155 PolarHBondContact O-N 3.13Å; Q155-K158 WeakPolarHBondContact O-CB 3.44Å; Q155-K158 PolarHBondContact O-N 2.83Å; Q155-F159 WeakPolarHBondContact O-CB 3.4Å; Q155-F159 PolarHBondContact O-N 2.94Å; Q155-L228 HydrophobicContact CB-CD2 4.26Å; Q155-L228 HydrophobicContact CG-CD2 4.25Å
156	R	92.3	Very high	92.4	Very high	70 Å²	70	61.8 Å²	61.8	26%	0.264	33%	0.325	S	S	.	.	H	α-helix	trans	-61.3	-44.1	175.3	-173.3	172.4	66.1	-166.1	2.8	112.1	G148 V149 L151 P152 E153 K158 F159 V160	G148-R156 WeakPolarHBondContact O-CG 3.47Å; V149-R156 PolarHBondContact O-NH1 3.01Å; L151-R156 HydrophobicContact CB-CB 4.08Å; P152-R156 PolarHBondContact O-N 3.21Å; E153-R156 PolarHBondContact O-N 3.46Å; R156-K158 VanDerWaalsContact C-N 3.32Å; R156-K158 PolarHBondContact O-N 2.95Å; R156-F159 WeakPolarHBondContact O-CB 3.26Å; R156-F159 PolarHBondContact O-N 3.41Å; R156-V160 WeakPolarHBondContact O-CG2 3.34Å; R156-V160 PolarHBondContact O-N 3.37Å
157	R	91.6	Very high	92.8	Very high	170 Å²	170	66.1 Å²	66.1	64%	0.642	34%	0.338	S	S	*	.	H	α-helix	trans	-59.3	-43.5	174.3	-74.1	176.2	-173.1	-166.5	2.8	111.3	E153 Q154 A161	E153-R157 VanDerWaalsContact O-CG 3.32Å; E153-R157 WeakPolarHBondContact O-CG 3.27Å; E153-R157 PolarHBondContact O-N 3.25Å; E153-R157 IonicContact OE1-CZ 3.91Å; E153-R157 IonicContact OE1-NE 3.65Å; E153-R157 PolarHBondContact OE1-NE 3.02Å; E153-R157 IonicContact OE1-NH2 3.61Å; E153-R157 PolarHBondContact OE1-NH2 3.18Å; Q154-R157 PolarHBondContact O-N 3.49Å; R157-A161 WeakPolarHBondContact O-CB 3.45Å; R157-A161 PolarHBondContact O-N 3.28Å; R157-A161 VanDerWaalsContact O-N 3.09Å
158	K	95.3	Very high	93.3	Very high	100 Å²	100	67.7 Å²	67.7	44%	0.435	35%	0.349	S	S	.	.	H	α-helix	trans	-62.4	-46.1	175.1	-170.2	-179.8	178.8	-166.5	0	111.4	Q154 Q155 R156 V160 A161 L162 E224 L228	Q154-K158 PolarHBondContact O-N 3.13Å; Q154-K158 VanDerWaalsContact O-N 3.16Å; Q155-K158 WeakPolarHBondContact O-CB 3.44Å; Q155-K158 PolarHBondContact O-N 2.83Å; R156-K158 VanDerWaalsContact C-N 3.32Å; R156-K158 PolarHBondContact O-N 2.95Å; K158-V160 PolarHBondContact O-N 3.45Å; K158-A161 PolarHBondContact O-N 3.31Å; K158-L162 HydrophobicContact CG-CD1 4Å; K158-L162 HydrophobicContact CG-CG 4.42Å; K158-L162 VanDerWaalsContact O-CG 3.32Å; K158-L162 WeakPolarHBondContact O-CG 3.44Å; K158-L162 PolarHBondContact O-N 3.4Å; K158-E224 WeakPolarHBondContact CE-OE2 3.42Å; K158-E224 IonicContact NZ-OE2 2.78Å; K158-E224 PolarHBondContact NZ-OE2 3.38Å; K158-L228 HydrophobicContact CB-CD1 4.25Å; K158-L228 HydrophobicContact CD-CD1 4.14Å; K158-L228 HydrophobicContact CD-CD2 4.48Å; K158-L228 HydrophobicContact CG-CD1 4.09Å
159	F	94.4	Very high	93.6	Very high	2 Å²	2	67.8 Å²	67.8	1%	0.009	35%	0.349	C	S	.	.	H	α-helix	trans	-57.4	-47.4	178.6	-172.7	-76.3	0	0	0	112.3	T146 S147 L151 Q155 R156 L162 S163 I225 L228 A229	T146-F159 WeakPolarHBondContact O-CE1 3.31Å; T146-F159 VanDerWaalsContact O-CZ 3.22Å; T146-F159 WeakPolarHBondContact O-CZ 3.37Å; S147-F159 WeakPolarHBondContact O-CD1 3.41Å; S147-F159 WeakPolarHBondContact O-CE1 3.31Å; L151-F159 HydrophobicContact CD1-CB 3.9Å; L151-F159 HydrophobicContact CD1-CD2 3.55Å; L151-F159 HydrophobicContact CD1-CE2 4.33Å; L151-F159 HydrophobicContact CD1-CG 3.96Å; Q155-F159 WeakPolarHBondContact O-CB 3.4Å; Q155-F159 PolarHBondContact O-N 2.94Å; R156-F159 WeakPolarHBondContact O-CB 3.26Å; R156-F159 PolarHBondContact O-N 3.41Å; F159-L162 PolarHBondContact O-N 3.41Å; F159-S163 WeakPolarHBondContact CE1-OG 3.37Å; F159-S163 WeakPolarHBondContact O-CB 3.32Å; F159-S163 PolarHBondContact O-N 3.2Å; F159-S163 PolarHBondContact O-OG 3.32Å; F159-I225 HydrophobicContact CD2-CG2 4.12Å; F159-I225 HydrophobicContact CE1-CG2 4.44Å; F159-I225 HydrophobicContact CE2-CB 4.43Å; F159-I225 HydrophobicContact CE2-CG2 3.45Å; F159-I225 VanDerWaalsContact CE2-CG2 3.45Å; F159-I225 HydrophobicContact CZ-CG2 3.62Å; F159-L228 HydrophobicContact CB-CD1 4.16Å; F159-L228 HydrophobicContact CD2-CB 4.22Å; F159-L228 HydrophobicContact CD2-CD1 4.47Å; F159-A229 HydrophobicContact CE2-CB 4.29Å
160	V	91.3	Very high	93.8	Very high	77 Å²	77	67.5 Å²	67.5	47%	0.467	35%	0.348	S	S	.	.	H	α-helix	trans	-63.6	-44.1	178.5	171.5	0	0	0	0	111	R156 K158 S163 A164	R156-V160 WeakPolarHBondContact O-CG2 3.34Å; R156-V160 PolarHBondContact O-N 3.37Å; K158-V160 PolarHBondContact O-N 3.45Å; V160-S163 PolarHBondContact O-N 2.91Å; V160-A164 PolarHBondContact O-N 3.45Å
161	A	93.9	Very high	93.8	Very high	58 Å²	58	66.7 Å²	66.7	48%	0.479	35%	0.352	S	S	.	.	H	α-helix	trans	-60.5	-46.7	176.8	0	0	0	0	0	111.8	R157 K158 S163 A164 E165	R157-A161 WeakPolarHBondContact O-CB 3.45Å; R157-A161 PolarHBondContact O-N 3.28Å; R157-A161 VanDerWaalsContact O-N 3.09Å; K158-A161 PolarHBondContact O-N 3.31Å; A161-S163 VanDerWaalsContact C-N 3.33Å; A161-S163 PolarHBondContact O-N 3.09Å; A161-A164 PolarHBondContact O-N 2.98Å; A161-E165 WeakPolarHBondContact O-CB 3.36Å; A161-E165 PolarHBondContact O-N 2.9Å
162	L	96	Very high	93.8	Very high	9 Å²	9	67.3 Å²	67.3	5%	0.047	36%	0.356	C	S	.	.	H	α-helix	trans	-63.1	-38.5	177.1	-70.7	168	0	0	0	112.3	K158 F159 E165 A166 C221 E224 I225 L228	K158-L162 HydrophobicContact CG-CD1 4Å; K158-L162 HydrophobicContact CG-CG 4.42Å; K158-L162 VanDerWaalsContact O-CG 3.32Å; K158-L162 WeakPolarHBondContact O-CG 3.44Å; K158-L162 PolarHBondContact O-N 3.4Å; F159-L162 PolarHBondContact O-N 3.41Å; L162-E165 PolarHBondContact O-N 2.98Å; L162-A166 VanDerWaalsContact O-CB 3.26Å; L162-A166 WeakPolarHBondContact O-CB 3.1Å; L162-A166 PolarHBondContact O-N 2.95Å; L162-C221 HydrophobicContact CD2-CB 4.35Å; L162-E224 HydrophobicContact CD1-CB 3.58Å; L162-E224 HydrophobicContact CD2-CB 4.31Å; L162-I225 HydrophobicContact CB-CD1 3.94Å; L162-I225 HydrophobicContact CB-CG1 3.66Å; L162-I225 HydrophobicContact CD1-CG1 4.2Å; L162-L228 HydrophobicContact CD1-CD1 3.79Å
163	S	93	Very high	93.9	Very high	43 Å²	43	63.5 Å²	63.5	30%	0.301	33%	0.331	S	S	.	.	H	α-helix	trans	-68.1	-40.8	179.1	-66.6	0	0	0	0	111.8	F159 V160 A161 E165 F167	F159-S163 WeakPolarHBondContact CE1-OG 3.37Å; F159-S163 WeakPolarHBondContact O-CB 3.32Å; F159-S163 PolarHBondContact O-N 3.2Å; F159-S163 PolarHBondContact O-OG 3.32Å; V160-S163 PolarHBondContact O-N 2.91Å; A161-S163 VanDerWaalsContact C-N 3.33Å; A161-S163 PolarHBondContact O-N 3.09Å; S163-E165 VanDerWaalsContact C-N 3.35Å; S163-F167 WeakPolarHBondContact O-CB 3.48Å; S163-F167 PolarHBondContact O-N 3.2Å
164	A	92.3	Very high	93.8	Very high	61 Å²	61	61.1 Å²	61.1	50%	0.504	32%	0.324	S	S	.	.	H	α-helix	trans	-63.5	-41.3	173.7	0	0	0	0	0	111.7	V160 A161 F167 S168	V160-A164 PolarHBondContact O-N 3.45Å; A161-A164 PolarHBondContact O-N 2.98Å; A164-F167 PolarHBondContact O-N 3.05Å; A164-S168 PolarHBondContact O-N 3.3Å
165	E	97	Very high	93.5	Very high	71 Å²	71	60 Å²	60	33%	0.332	31%	0.312	S	S	.	.	H	α-helix	trans	-68.5	-44.2	177.3	-174.4	169.2	-169.5	0	0	112.5	A161 L162 S163 F167 S168 C169 R217	A161-E165 WeakPolarHBondContact O-CB 3.36Å; A161-E165 PolarHBondContact O-N 2.9Å; L162-E165 PolarHBondContact O-N 2.98Å; S163-E165 VanDerWaalsContact C-N 3.35Å; E165-F167 VanDerWaalsContact C-N 3.31Å; E165-F167 PolarHBondContact O-N 3.19Å; E165-S168 PolarHBondContact O-N 2.92Å; E165-C169 WeakPolarHBondContact O-CB 3.25Å; E165-C169 PolarHBondContact O-N 3.46Å; E165-C169 PolarHBondContact O-SG 3.04Å; E165-R217 VanDerWaalsContact CD-NE 3.31Å; E165-R217 IonicContact OE1-CZ 2.66Å; E165-R217 IonicContact OE1-NE 3.49Å; E165-R217 PolarHBondContact OE1-NE 2.86Å; E165-R217 IonicContact OE1-NH2 3.44Å; E165-R217 PolarHBondContact OE1-NH2 3.33Å; E165-R217 VanDerWaalsContact OE1-NH2 3.15Å; E165-R217 IonicContact OE2-CZ 3.39Å; E165-R217 IonicContact OE2-NE 2.74Å; E165-R217 IonicContact OE2-NH2 3.46Å; E165-R217 PolarHBondContact OE2-NH2 2.95Å
166	A	96	Very high	92.8	Very high	11 Å²	11	60.7 Å²	60.7	9%	0.091	31%	0.311	C	S	.	.	H	α-helix	trans	-57.6	-45.1	173.6	0	0	0	0	0	111	L162 S168 C169 G170 L218 C221	L162-A166 VanDerWaalsContact O-CB 3.26Å; L162-A166 WeakPolarHBondContact O-CB 3.1Å; L162-A166 PolarHBondContact O-N 2.95Å; A166-S168 PolarHBondContact O-N 2.98Å; A166-C169 PolarHBondContact O-N 3.26Å; A166-G170 PolarHBondContact O-N 3.22Å; A166-L218 HydrophobicContact CB-CD1 3.93Å; A166-L218 WeakPolarHBondContact O-CD1 3.34Å; A166-C221 HydrophobicContact CB-CB 3.82Å
167	F	93.7	Very high	91.8	Very high	164 Å²	164	58.2 Å²	58.2	72%	0.719	31%	0.305	S	S	*	.	H	α-helix	trans	-59.9	-46.6	175.8	179.8	-93.1	0	0	0	111.8	S163 A164 E165 G170 A171	S163-F167 WeakPolarHBondContact O-CB 3.48Å; S163-F167 PolarHBondContact O-N 3.2Å; A164-F167 PolarHBondContact O-N 3.05Å; E165-F167 VanDerWaalsContact C-N 3.31Å; E165-F167 PolarHBondContact O-N 3.19Å; F167-G170 PolarHBondContact O-N 3.45Å; F167-A171 VanDerWaalsContact O-CB 3.3Å; F167-A171 WeakPolarHBondContact O-CB 3.37Å; F167-A171 PolarHBondContact O-N 3.18Å
168	S	95	Very high	90.4	Very high	60 Å²	60	52.1 Å²	52.1	42%	0.42	29%	0.294	S	S	.	.	H	α-helix	trans	-61.9	-47.2	177.5	-169.4	0	0	0	0	111.9	A164 E165 A166 A171 D172	A164-S168 PolarHBondContact O-N 3.3Å; E165-S168 PolarHBondContact O-N 2.92Å; A166-S168 PolarHBondContact O-N 2.98Å; S168-A171 PolarHBondContact O-N 2.91Å; S168-D172 WeakPolarHBondContact O-CB 3.12Å; S168-D172 PolarHBondContact O-N 3.43Å
169	C	96.6	Very high	88.5	Confident	2 Å²	2	52.1 Å²	52.1	1%	0.014	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-43.1	-180	-66	0	0	0	0	111.5	E165 A166 D172 F173 L218	E165-C169 WeakPolarHBondContact O-CB 3.25Å; E165-C169 PolarHBondContact O-N 3.46Å; E165-C169 PolarHBondContact O-SG 3.04Å; A166-C169 PolarHBondContact O-N 3.26Å; C169-D172 PolarHBondContact O-N 3.16Å; C169-F173 VanDerWaalsContact O-CB 3.26Å; C169-F173 WeakPolarHBondContact O-CB 3.27Å; C169-F173 PolarHBondContact O-N 3.46Å; C169-L218 HydrophobicContact CB-CB 4.11Å
170	G	95.5	Very high	86.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-63.7	-42.6	175.4	0	0	0	0	0	112.9	A166 F167 F173 V174	A166-G170 PolarHBondContact O-N 3.22Å; F167-G170 PolarHBondContact O-N 3.45Å; G170-F173 PolarHBondContact O-N 3.08Å; G170-V174 WeakPolarHBondContact O-CG2 3.31Å; G170-V174 PolarHBondContact O-N 2.97Å
171	A	92.6	Very high	84.5	Confident	48 Å²	48	55.3 Å²	55.3	40%	0.397	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-41.6	176.4	0	0	0	0	0	112.1	F167 S168 R175	F167-A171 VanDerWaalsContact O-CB 3.3Å; F167-A171 WeakPolarHBondContact O-CB 3.37Å; F167-A171 PolarHBondContact O-N 3.18Å; S168-A171 PolarHBondContact O-N 2.91Å; A171-R175 WeakPolarHBondContact O-CB 3.4Å; A171-R175 PolarHBondContact O-N 2.97Å
172	D	93.1	Very high	82.2	Confident	26 Å²	26	60.2 Å²	60.2	14%	0.139	33%	0.33	C	S	.	.	H	α-helix	trans	-64.9	-43.4	175.6	-82.1	-25.3	0	0	0	112.3	S168 C169 R175 R176 R214	S168-D172 WeakPolarHBondContact O-CB 3.12Å; S168-D172 PolarHBondContact O-N 3.43Å; C169-D172 PolarHBondContact O-N 3.16Å; D172-R175 IonicContact OD1-CZ 3.84Å; D172-R175 IonicContact OD1-NE 3.15Å; D172-R175 IonicContact OD1-NH2 3.72Å; D172-R175 PolarHBondContact OD1-NH2 3.06Å; D172-R176 WeakPolarHBondContact O-CB 3.37Å; D172-R176 PolarHBondContact O-N 3.09Å; D172-R214 HydrophobicContact CB-CG 4.45Å
173	F	93.5	Very high	80.1	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-57.8	-51.8	176.2	-179.4	-93.2	0	0	0	111.4	C169 G170 R176 S177 Q211 R214 L215 L539 I545 V546	C169-F173 VanDerWaalsContact O-CB 3.26Å; C169-F173 WeakPolarHBondContact O-CB 3.27Å; C169-F173 PolarHBondContact O-N 3.46Å; G170-F173 PolarHBondContact O-N 3.08Å; F173-R176 PolarHBondContact O-N 3.32Å; F173-S177 PolarHBondContact O-N 2.91Å; F173-Q211 HydrophobicContact CE2-CB 4.47Å; F173-Q211 PolarHBondContact O-NE2 3.24Å; F173-R214 HydrophobicContact CB-CB 4.42Å; F173-L215 HydrophobicContact CD2-CB 3.97Å; F173-L215 HydrophobicContact CE2-CB 3.76Å; F173-L215 HydrophobicContact CE2-CD1 4.32Å; F173-L215 HydrophobicContact CE2-CD2 4.13Å; F173-L215 HydrophobicContact CE2-CG 4.29Å; F173-L215 HydrophobicContact CZ-CD1 4.42Å; F173-L215 HydrophobicContact CZ-CD2 4.36Å; F173-L539 WeakPolarHBondContact CZ-O 3.19Å; F173-I545 HydrophobicContact CE1-CG2 3.83Å; F173-I545 HydrophobicContact CZ-CG2 4.27Å; F173-V546 HydrophobicContact CD1-CG2 3.74Å; F173-V546 HydrophobicContact CE1-CG2 4.38Å
174	V	89.4	Confident	78.2	Confident	59 Å²	59	63.9 Å²	63.9	36%	0.358	36%	0.358	S	S	.	.	H	α-helix	trans	-66.7	-43.7	179.7	173.5	0	0	0	0	111.9	G170 R176 S177 V546	G170-V174 WeakPolarHBondContact O-CG2 3.31Å; G170-V174 PolarHBondContact O-N 2.97Å; V174-R176 VanDerWaalsContact C-N 3.28Å; V174-R176 PolarHBondContact O-N 3.23Å; V174-S177 PolarHBondContact O-N 3.36Å; V174-S177 PolarHBondContact O-OG 3.18Å; V174-V546 HydrophobicContact CG2-CB 3.92Å; V174-V546 HydrophobicContact CG2-CG1 4.33Å; V174-V546 HydrophobicContact CG2-CG2 3.73Å
175	R	85	Confident	76.4	Confident	143 Å²	143	65.6 Å²	65.6	54%	0.54	36%	0.359	S	S	.	.	H	α-helix	trans	-59.2	-43.6	179.5	178.4	174.4	58.3	163.5	-2.4	111	A171 D172	A171-R175 WeakPolarHBondContact O-CB 3.4Å; A171-R175 PolarHBondContact O-N 2.97Å; D172-R175 IonicContact OD1-CZ 3.84Å; D172-R175 IonicContact OD1-NE 3.15Å; D172-R175 IonicContact OD1-NH2 3.72Å; D172-R175 PolarHBondContact OD1-NH2 3.06Å
176	R	81	Confident	74.5	Confident	100 Å²	100	65.8 Å²	65.8	38%	0.377	37%	0.369	S	S	.	.	H	α-helix	trans	-87.4	-0.3	-177.9	-61.9	-147.8	-166.6	-171.8	-2.9	114.5	D172 F173 V174 G178 Y210 Q211	D172-R176 WeakPolarHBondContact O-CB 3.37Å; D172-R176 PolarHBondContact O-N 3.09Å; F173-R176 PolarHBondContact O-N 3.32Å; V174-R176 VanDerWaalsContact C-N 3.28Å; V174-R176 PolarHBondContact O-N 3.23Å; R176-G178 PolarHBondContact O-N 2.64Å; R176-Y210 HydrophobicContact CB-CE1 4.24Å; R176-Y210 HydrophobicContact CG-CE1 4.01Å; R176-Q211 VanDerWaalsContact CB-NE2 3.32Å; R176-Q211 PolarHBondContact O-NE2 3.3Å
177	S	71.5	Confident	73	Confident	19 Å²	19	67.7 Å²	67.7	13%	0.133	38%	0.384	C	S	.	.	H	α-helix	trans	-68.8	-16.2	176.1	69.3	0	0	0	0	112	F173 V174 R541	F173-S177 PolarHBondContact O-N 2.91Å; V174-S177 PolarHBondContact O-N 3.36Å; V174-S177 PolarHBondContact O-OG 3.18Å; S177-R541 WeakPolarHBondContact O-CD 3.32Å
178	G	61.9	Low	72	Confident	41 Å²	41	62.4 Å²	62.4	42%	0.423	36%	0.363	S	S	.	.	H	α-helix	trans	-118.8	-26.9	173.7	0	0	0	0	0	115.6	R176 D180 M181	R176-G178 PolarHBondContact O-N 2.64Å; G178-D180 PolarHBondContact O-N 3.2Å; G178-D180 VanDerWaalsContact O-N 3.13Å; G178-M181 CarbonylContact O-C 3.46Å; G178-M181 PolarHBondContact O-N 2.86Å
179	D	55.4	Low	70.9	Confident	101 Å²	101	61.6 Å²	61.6	54%	0.54	35%	0.352	S	S	.	.	H	α-helix	trans	-66.2	-19.1	-169.1	-80.2	-15.7	0	0	0	115	M181	D179-M181 VanDerWaalsContact C-N 3.27Å; D179-M181 PolarHBondContact O-N 3.37Å
180	D	51.1	Low	69.9	Low	79 Å²	79	65.8 Å²	65.8	42%	0.422	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-10.8	179.9	-105	19	0	0	0	113.7	G178 R206	G178-D180 PolarHBondContact O-N 3.2Å; G178-D180 VanDerWaalsContact O-N 3.13Å; D180-R206 IonicContact OD2-CZ 3.22Å; D180-R206 IonicContact OD2-NH2 3.39Å; D180-R206 PolarHBondContact OD2-NH2 3.47Å
181	M	50.5	Low	69.4	Low	66 Å²	66	66.9 Å²	66.9	33%	0.325	38%	0.382	S	S	.	.	S	Bend	trans	-154.7	87.8	166.5	-83	-135.9	-92	0	0	112.1	G178 D179 A183 L184 L203	G178-M181 CarbonylContact O-C 3.46Å; G178-M181 PolarHBondContact O-N 2.86Å; D179-M181 VanDerWaalsContact C-N 3.27Å; D179-M181 PolarHBondContact O-N 3.37Å; M181-A183 PolarHBondContact O-N 2.69Å; M181-L184 HydrophobicContact CB-CD1 4.4Å; M181-L184 HydrophobicContact CB-CG 4.22Å; M181-L184 HydrophobicContact CE-CD1 3.41Å; M181-L184 VanDerWaalsContact CE-CD1 3.41Å; M181-L184 HydrophobicContact CE-CD2 4.01Å; M181-L184 HydrophobicContact CE-CG 3.9Å; M181-L184 HydrophobicContact SD-CD1 4.23Å; M181-L184 HydrophobicContact SD-CD2 4.1Å; M181-L184 HydrophobicContact SD-CG 4.07Å; M181-L203 HydrophobicContact CE-CB 3.32Å; M181-L203 HydrophobicContact CE-CD1 3.95Å; M181-L203 HydrophobicContact CE-CG 4.14Å
182	L	46.7	Very low	69.1	Low	162 Å²	162	68.6 Å²	68.6	85%	0.848	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.2	111.3	158	-83	144.5	0	0	0	109.9
183	A	50.5	Low	69	Low	91 Å²	91	70.8 Å²	70.8	75%	0.752	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	53.8	169.2	0	0	0	0	0	116.9	M181 D185	M181-A183 PolarHBondContact O-N 2.69Å; A183-D185 PolarHBondContact O-N 3.01Å
184	L	54.5	Low	68.9	Low	37 Å²	37	72 Å²	72	19%	0.194	41%	0.411	C	S	.	.			trans	-68.9	86.9	143.6	-70.5	177.3	0	0	0	106.7	M181 L188 Y204	M181-L184 HydrophobicContact CB-CD1 4.4Å; M181-L184 HydrophobicContact CB-CG 4.22Å; M181-L184 HydrophobicContact CE-CD1 3.41Å; M181-L184 VanDerWaalsContact CE-CD1 3.41Å; M181-L184 HydrophobicContact CE-CD2 4.01Å; M181-L184 HydrophobicContact CE-CG 3.9Å; M181-L184 HydrophobicContact SD-CD1 4.23Å; M181-L184 HydrophobicContact SD-CD2 4.1Å; M181-L184 HydrophobicContact SD-CG 4.07Å; L184-L188 HydrophobicContact CB-CD1 4.03Å; L184-L188 HydrophobicContact CD2-CD1 3.09Å; L184-L188 HydrophobicContact CG-CD1 4.09Å; L184-Y204 HydrophobicContact CD1-CD2 3.98Å; L184-Y204 HydrophobicContact CD1-CG 4.3Å
185	D	53.4	Low	69	Low	98 Å²	98	74.2 Å²	74.2	52%	0.524	42%	0.417	S	S	.	.			trans	-52.9	143.7	174.3	-168.6	-5.4	0	0	0	109.2	A183 A187 L188	A183-D185 PolarHBondContact O-N 3.01Å; D185-A187 HydrophobicContact CB-CB 3.99Å; D185-A187 PolarHBondContact O-N 3.42Å; D185-A187 PolarHBondContact OD1-N 2.98Å; D185-L188 PolarHBondContact O-N 3.26Å
186	S	58	Low	69.3	Low	75 Å²	75	70.6 Å²	70.6	52%	0.524	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-53.2	-25.4	174.6	61	0	0	0	0	111.2	L188 F189 D190	S186-L188 PolarHBondContact O-N 3.08Å; S186-F189 PolarHBondContact O-N 3.41Å; S186-D190 PolarHBondContact O-N 3.38Å; S186-D190 VanDerWaalsContact O-N 3.16Å
187	A	64.4	Low	69.7	Low	51 Å²	51	65.9 Å²	65.9	42%	0.421	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-47.1	-28	170.7	0	0	0	0	0	115.1	D185 S191	D185-A187 HydrophobicContact CB-CB 3.99Å; D185-A187 PolarHBondContact O-N 3.42Å; D185-A187 PolarHBondContact OD1-N 2.98Å; A187-S191 PolarHBondContact O-N 2.84Å; A187-S191 VanDerWaalsContact O-N 3.15Å
188	L	71.9	Confident	70.7	Confident	52 Å²	52	68.6 Å²	68.6	27%	0.272	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-74.1	-35.6	176.6	-67	175.1	0	0	0	112.9	L184 D185 S186 D190 S191 I196 R197	L184-L188 HydrophobicContact CB-CD1 4.03Å; L184-L188 HydrophobicContact CD2-CD1 3.09Å; L184-L188 HydrophobicContact CG-CD1 4.09Å; D185-L188 PolarHBondContact O-N 3.26Å; S186-L188 PolarHBondContact O-N 3.08Å; L188-D190 VanDerWaalsContact C-N 3.3Å; L188-S191 WeakPolarHBondContact O-CB 3.41Å; L188-I196 HydrophobicContact CD2-CG2 3.63Å; L188-R197 WeakPolarHBondContact O-CG 3.37Å
189	F	72	Confident	72	Confident	43 Å²	43	71.2 Å²	71.2	19%	0.189	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-27.2	174.2	-61.7	-69.2	0	0	0	111.5	S186 S191 R197 Y201 Y204	S186-F189 PolarHBondContact O-N 3.41Å; F189-S191 VanDerWaalsContact C-N 3.34Å; F189-R197 WeakPolarHBondContact O-CD 3.49Å; F189-Y201 HydrophobicContact CE1-CD2 4.04Å; F189-Y201 HydrophobicContact CE1-CG 4.46Å; F189-Y204 HydrophobicContact CZ-CG 4.48Å
190	D	76.3	Confident	73.6	Confident	90 Å²	90	66.6 Å²	66.6	48%	0.481	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-0.1	178.1	-59.8	-34.1	0	0	0	113.6	S186 L188 S192 Y290	S186-D190 PolarHBondContact O-N 3.38Å; S186-D190 VanDerWaalsContact O-N 3.16Å; L188-D190 VanDerWaalsContact C-N 3.3Å; D190-S192 PolarHBondContact O-N 2.95Å; D190-Y290 WeakPolarHBondContact O-CD2 3.26Å
191	S	84.8	Confident	75.5	Confident	23 Å²	23	64 Å²	64	16%	0.161	36%	0.362	C	S	.	.			trans	-61.6	137.2	179.6	-179.5	0	0	0	0	111.3	A187 L188 F189 D193 R197	A187-S191 PolarHBondContact O-N 2.84Å; A187-S191 VanDerWaalsContact O-N 3.15Å; L188-S191 WeakPolarHBondContact O-CB 3.41Å; F189-S191 VanDerWaalsContact C-N 3.34Å; S191-D193 PolarHBondContact O-N 3.32Å; S191-D193 PolarHBondContact OG-N 3.25Å; S191-R197 WeakPolarHBondContact O-CD 3.48Å; S191-R197 WeakPolarHBondContact O-CG 3.44Å; S191-R197 PolarHBondContact O-NH1 3.41Å
192	S	87.2	Confident	77.4	Confident	85 Å²	85	64.6 Å²	64.6	59%	0.594	36%	0.363	S	S	*	.	S	Bend	trans	-68.8	-17.9	172.6	58.2	0	0	0	0	113.2	D190 P194 R197 Y290	D190-S192 PolarHBondContact O-N 2.95Å; S192-P194 WeakPolarHBondContact O-CD 3.41Å; S192-R197 PolarHBondContact O-NH1 2.96Å; S192-Y290 WeakPolarHBondContact CB-OH 3.34Å
193	D	90.2	Very high	79.3	Confident	71 Å²	71	60 Å²	60	38%	0.38	34%	0.338	S	S	.	.			trans	-83.7	115.3	176.6	-171.8	-25	0	0	0	111.1	S191 E195 I196 R197	S191-D193 PolarHBondContact O-N 3.32Å; S191-D193 PolarHBondContact OG-N 3.25Å; D193-E195 VanDerWaalsContact C-N 3.28Å; D193-E195 PolarHBondContact O-N 3.4Å; D193-E195 PolarHBondContact OD1-N 3.41Å; D193-I196 HydrophobicContact CB-CB 4.12Å; D193-I196 HydrophobicContact CB-CD1 3.85Å; D193-I196 HydrophobicContact CB-CG1 3.86Å; D193-I196 PolarHBondContact O-N 3.49Å; D193-R197 PolarHBondContact O-N 2.93Å
194	P	91.5	Very high	81.1	Confident	27 Å²	27	59 Å²	59	18%	0.175	32%	0.316	C	S	.	.	H	α-helix	trans	-59.2	-33	178.6	-20.9	32.6	0	0	0	114.3	S192 R197 R198 I279	S192-P194 WeakPolarHBondContact O-CD 3.41Å; P194-R197 PolarHBondContact O-N 3.42Å; P194-R198 VanDerWaalsContact O-CB 3.31Å; P194-R198 WeakPolarHBondContact O-CB 3.48Å; P194-R198 PolarHBondContact O-N 3.46Å; P194-I279 HydrophobicContact CB-CG1 4.09Å; P194-I279 HydrophobicContact CG-CG1 3.71Å
195	E	90.8	Very high	82.8	Confident	105 Å²	105	59.7 Å²	59.7	49%	0.491	32%	0.316	S	S	.	.	H	α-helix	trans	-71.7	-33.7	-179.9	-73.6	-59.8	128.5	0	0	111.6	D193 R198 L199	D193-E195 VanDerWaalsContact C-N 3.28Å; D193-E195 PolarHBondContact O-N 3.4Å; D193-E195 PolarHBondContact OD1-N 3.41Å; E195-R198 IonicContact OE1-NE 3.15Å; E195-R198 IonicContact OE2-CZ 2.72Å; E195-R198 IonicContact OE2-NE 3.57Å; E195-R198 PolarHBondContact OE2-NE 3.1Å; E195-R198 IonicContact OE2-NH2 3.33Å; E195-R198 PolarHBondContact OE2-NH2 3.2Å; E195-L199 WeakPolarHBondContact O-CB 3.33Å; E195-L199 PolarHBondContact O-N 3.49Å
196	I	90.9	Very high	84.6	Confident	66 Å²	66	59.6 Å²	59.6	34%	0.338	31%	0.308	S	S	.	.	H	α-helix	trans	-65.4	-46.7	173.4	-65	-178	0	0	0	110	L188 D193 R198 L199 G200	L188-I196 HydrophobicContact CD2-CG2 3.63Å; D193-I196 HydrophobicContact CB-CB 4.12Å; D193-I196 HydrophobicContact CB-CD1 3.85Å; D193-I196 HydrophobicContact CB-CG1 3.86Å; D193-I196 PolarHBondContact O-N 3.49Å; I196-R198 PolarHBondContact O-N 3.43Å; I196-L199 PolarHBondContact O-N 3.01Å; I196-G200 PolarHBondContact O-N 2.94Å
197	R	91.4	Very high	86.3	Confident	1 Å²	1	58.8 Å²	58.8	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-59.7	-47.4	176.3	-64.6	-165.9	-57.1	-88	2.2	111.6	L188 F189 S191 S192 D193 P194 L199 G200 Y201 D287	L188-R197 WeakPolarHBondContact O-CG 3.37Å; F189-R197 WeakPolarHBondContact O-CD 3.49Å; S191-R197 WeakPolarHBondContact O-CD 3.48Å; S191-R197 WeakPolarHBondContact O-CG 3.44Å; S191-R197 PolarHBondContact O-NH1 3.41Å; S192-R197 PolarHBondContact O-NH1 2.96Å; D193-R197 PolarHBondContact O-N 2.93Å; P194-R197 PolarHBondContact O-N 3.42Å; R197-L199 PolarHBondContact O-N 2.9Å; R197-G200 PolarHBondContact O-N 3.11Å; R197-Y201 WeakPolarHBondContact O-CB 3.24Å; R197-Y201 PolarHBondContact O-N 3.11Å; R197-D287 IonicContact CZ-OD1 2.72Å; R197-D287 IonicContact NE-OD1 3.54Å; R197-D287 PolarHBondContact NE-OD1 2.91Å; R197-D287 IonicContact NH2-OD1 2.86Å; R197-D287 PolarHBondContact NH2-OD1 3.37Å
198	R	91.2	Very high	87.6	Confident	77 Å²	77	57.3 Å²	57.3	29%	0.291	29%	0.289	S	S	.	.	H	α-helix	trans	-58.5	-46.6	177	-174.6	-174.5	72.4	71.4	-4.1	111.9	P194 E195 I196 K202 W286	P194-R198 VanDerWaalsContact O-CB 3.31Å; P194-R198 WeakPolarHBondContact O-CB 3.48Å; P194-R198 PolarHBondContact O-N 3.46Å; E195-R198 IonicContact OE1-NE 3.15Å; E195-R198 IonicContact OE2-CZ 2.72Å; E195-R198 IonicContact OE2-NE 3.57Å; E195-R198 PolarHBondContact OE2-NE 3.1Å; E195-R198 IonicContact OE2-NH2 3.33Å; E195-R198 PolarHBondContact OE2-NH2 3.2Å; I196-R198 PolarHBondContact O-N 3.43Å; R198-K202 HydrophobicContact CG-CD 4.45Å; R198-K202 WeakPolarHBondContact O-CB 3.02Å; R198-K202 WeakPolarHBondContact O-CG 3.25Å; R198-K202 PolarHBondContact O-N 2.84Å; R198-W286 HydrophobicContact CB-CD2 4.35Å; R198-W286 HydrophobicContact CB-CG 4.49Å; R198-W286 HydrophobicContact CB-CZ2 4.26Å; R198-W286 HydrophobicContact CG-CD2 4.3Å; R198-W286 HydrophobicContact CG-CH2 4.2Å; R198-W286 HydrophobicContact CG-CZ2 3.65Å
199	L	90.4	Very high	88.6	Confident	96 Å²	96	61.7 Å²	61.7	50%	0.503	31%	0.312	S	S	.	.	H	α-helix	trans	-64.9	-48.9	179.5	-178.8	64.4	0	0	0	110.8	E195 I196 R197 Y201 K202 L203	E195-L199 WeakPolarHBondContact O-CB 3.33Å; E195-L199 PolarHBondContact O-N 3.49Å; I196-L199 PolarHBondContact O-N 3.01Å; R197-L199 PolarHBondContact O-N 2.9Å; L199-Y201 PolarHBondContact O-N 3.48Å; L199-K202 PolarHBondContact O-N 2.88Å; L199-L203 HydrophobicContact CD1-CD1 3.7Å; L199-L203 HydrophobicContact CD1-CD2 4.45Å; L199-L203 HydrophobicContact CD1-CG 3.85Å; L199-L203 HydrophobicContact CD2-CD1 4.42Å; L199-L203 HydrophobicContact CG-CD1 3.69Å; L199-L203 HydrophobicContact CG-CG 4.23Å; L199-L203 VanDerWaalsContact O-CB 3.27Å; L199-L203 WeakPolarHBondContact O-CB 3.41Å; L199-L203 WeakPolarHBondContact O-CG 3.42Å; L199-L203 PolarHBondContact O-N 3.13Å
200	G	88.6	Confident	89.6	Confident	3 Å²	3	62.2 Å²	62.2	3%	0.031	31%	0.313	C	S	.	.	H	α-helix	trans	-55.5	-49.8	177.2	0	0	0	0	0	111.8	I196 R197 L203 Y204	I196-G200 PolarHBondContact O-N 2.94Å; R197-G200 PolarHBondContact O-N 3.11Å; G200-L203 PolarHBondContact O-N 3.42Å; G200-Y204 VanDerWaalsContact O-CB 3.27Å; G200-Y204 WeakPolarHBondContact O-CB 3.5Å; G200-Y204 PolarHBondContact O-N 3.15Å
201	Y	89.9	Confident	90.4	Very high	25 Å²	25	58.1 Å²	58.1	10%	0.098	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-53	177.8	-172.7	-81.7	0	0	0	112.8	F189 R197 L199 L203 Y204 Y205 V285 W286 P533 T536	F189-Y201 HydrophobicContact CE1-CD2 4.04Å; F189-Y201 HydrophobicContact CE1-CG 4.46Å; R197-Y201 WeakPolarHBondContact O-CB 3.24Å; R197-Y201 PolarHBondContact O-N 3.11Å; L199-Y201 PolarHBondContact O-N 3.48Å; Y201-L203 VanDerWaalsContact C-N 3.29Å; Y201-L203 PolarHBondContact O-N 3.26Å; Y201-Y204 PolarHBondContact O-N 3.44Å; Y201-Y205 AromaticContact CD1-CD2 3.98Å; Y201-Y205 HydrophobicContact CD1-CD2 3.98Å; Y201-Y205 AromaticContact CD2-CD2 3.73Å; Y201-Y205 HydrophobicContact CD2-CD2 3.73Å; Y201-Y205 AromaticContact CD2-CE2 3.81Å; Y201-Y205 HydrophobicContact CD2-CE2 3.81Å; Y201-Y205 AromaticContact CE1-CD2 3.74Å; Y201-Y205 HydrophobicContact CE1-CD2 3.74Å; Y201-Y205 HydrophobicContact CE1-CG 4.5Å; Y201-Y205 AromaticContact CE2-CD2 3.5Å; Y201-Y205 HydrophobicContact CE2-CD2 3.5Å; Y201-Y205 VanDerWaalsContact CE2-CD2 3.5Å; Y201-Y205 AromaticContact CE2-CE2 3.46Å; Y201-Y205 HydrophobicContact CE2-CE2 3.46Å; Y201-Y205 VanDerWaalsContact CE2-CE2 3.46Å; Y201-Y205 AromaticContact CG-CD2 3.96Å; Y201-Y205 HydrophobicContact CG-CD2 3.96Å; Y201-Y205 HydrophobicContact CG-CE2 4.48Å; Y201-Y205 AromaticContact CZ-CD2 3.48Å; Y201-Y205 VanDerWaalsContact CZ-CD2 3.48Å; Y201-Y205 AromaticContact CZ-CE2 3.85Å; Y201-Y205 WeakPolarHBondContact O-CB 3.22Å; Y201-Y205 PolarHBondContact O-N 3.07Å; Y201-V285 HydrophobicContact CE1-CG2 3.95Å; Y201-V285 HydrophobicContact CE2-CG2 3.83Å; Y201-V285 VanDerWaalsContact CZ-CG2 3.49Å; Y201-V285 WeakPolarHBondContact OH-CG2 3.46Å; Y201-W286 HydrophobicContact CD1-CB 4.45Å; Y201-W286 AromaticContact CD1-CE3 3.86Å; Y201-W286 HydrophobicContact CD1-CE3 3.86Å; Y201-W286 HydrophobicContact CD2-CB 3.7Å; Y201-W286 HydrophobicContact CE1-CE3 4.36Å; Y201-W286 HydrophobicContact CG-CB 3.64Å; Y201-W286 HydrophobicContact CG-CE3 4.2Å; Y201-P533 HydrophobicContact CE1-CG 4Å; Y201-T536 HydrophobicContact CD1-CG2 4.4Å; Y201-T536 HydrophobicContact CE1-CG2 4.15Å
202	K	90.6	Very high	90.9	Very high	79 Å²	79	58.1 Å²	58.1	34%	0.343	29%	0.289	S	S	.	.	H	α-helix	trans	-64.5	-34.4	-177.6	-76.1	-168.2	175.2	-169.4	0	112.6	R198 L199 R206 T536	R198-K202 HydrophobicContact CG-CD 4.45Å; R198-K202 WeakPolarHBondContact O-CB 3.02Å; R198-K202 WeakPolarHBondContact O-CG 3.25Å; R198-K202 PolarHBondContact O-N 2.84Å; L199-K202 PolarHBondContact O-N 2.88Å; K202-R206 WeakPolarHBondContact O-CA 3.23Å; K202-R206 WeakPolarHBondContact O-CB 3.31Å; K202-R206 PolarHBondContact O-N 3.4Å; K202-R206 VanDerWaalsContact O-N 3.07Å; K202-T536 HydrophobicContact CG-CG2 4.21Å
203	L	88	Confident	91.3	Very high	65 Å²	65	59 Å²	59	34%	0.34	28%	0.283	S	S	.	.	H	α-helix	trans	-73.2	-44.3	177	-71.7	175.3	0	0	0	111.9	M181 L199 G200 Y201 R206	M181-L203 HydrophobicContact CE-CB 3.32Å; M181-L203 HydrophobicContact CE-CD1 3.95Å; M181-L203 HydrophobicContact CE-CG 4.14Å; L199-L203 HydrophobicContact CD1-CD1 3.7Å; L199-L203 HydrophobicContact CD1-CD2 4.45Å; L199-L203 HydrophobicContact CD1-CG 3.85Å; L199-L203 HydrophobicContact CD2-CD1 4.42Å; L199-L203 HydrophobicContact CG-CD1 3.69Å; L199-L203 HydrophobicContact CG-CG 4.23Å; L199-L203 VanDerWaalsContact O-CB 3.27Å; L199-L203 WeakPolarHBondContact O-CB 3.41Å; L199-L203 WeakPolarHBondContact O-CG 3.42Å; L199-L203 PolarHBondContact O-N 3.13Å; G200-L203 PolarHBondContact O-N 3.42Å; Y201-L203 VanDerWaalsContact C-N 3.29Å; Y201-L203 PolarHBondContact O-N 3.26Å; L203-R206 WeakPolarHBondContact O-CG 3.26Å; L203-R206 PolarHBondContact O-N 3Å
204	Y	87.2	Confident	91.5	Very high	71 Å²	71	58.5 Å²	58.5	28%	0.278	28%	0.276	S	S	.	.	H	α-helix	trans	-60.3	-50	178.2	-174.5	-105.2	0	0	0	111.1	L184 F189 G200 Y201 R206 R541	L184-Y204 HydrophobicContact CD1-CD2 3.98Å; L184-Y204 HydrophobicContact CD1-CG 4.3Å; F189-Y204 HydrophobicContact CZ-CG 4.48Å; G200-Y204 VanDerWaalsContact O-CB 3.27Å; G200-Y204 WeakPolarHBondContact O-CB 3.5Å; G200-Y204 PolarHBondContact O-N 3.15Å; Y201-Y204 PolarHBondContact O-N 3.44Å; Y204-R206 PolarHBondContact O-N 3.31Å; Y204-R541 HydrophobicContact CD1-CG 4.41Å; Y204-R541 HydrophobicContact CE1-CB 4.17Å; Y204-R541 HydrophobicContact CE1-CG 3.93Å; Y204-R541 PolarHBondContact O-NE 3.33Å; Y204-R541 PolarHBondContact O-NH2 3.43Å
205	Y	90.5	Very high	91.7	Very high	50 Å²	50	57.2 Å²	57.2	20%	0.196	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	20.1	-177.8	-65.4	-57.7	0	0	0	114.2	Y201 T536 A537 W538 R541	Y201-Y205 AromaticContact CD1-CD2 3.98Å; Y201-Y205 HydrophobicContact CD1-CD2 3.98Å; Y201-Y205 AromaticContact CD2-CD2 3.73Å; Y201-Y205 HydrophobicContact CD2-CD2 3.73Å; Y201-Y205 AromaticContact CD2-CE2 3.81Å; Y201-Y205 HydrophobicContact CD2-CE2 3.81Å; Y201-Y205 AromaticContact CE1-CD2 3.74Å; Y201-Y205 HydrophobicContact CE1-CD2 3.74Å; Y201-Y205 HydrophobicContact CE1-CG 4.5Å; Y201-Y205 AromaticContact CE2-CD2 3.5Å; Y201-Y205 HydrophobicContact CE2-CD2 3.5Å; Y201-Y205 VanDerWaalsContact CE2-CD2 3.5Å; Y201-Y205 AromaticContact CE2-CE2 3.46Å; Y201-Y205 HydrophobicContact CE2-CE2 3.46Å; Y201-Y205 VanDerWaalsContact CE2-CE2 3.46Å; Y201-Y205 AromaticContact CG-CD2 3.96Å; Y201-Y205 HydrophobicContact CG-CD2 3.96Å; Y201-Y205 HydrophobicContact CG-CE2 4.48Å; Y201-Y205 AromaticContact CZ-CD2 3.48Å; Y201-Y205 VanDerWaalsContact CZ-CD2 3.48Å; Y201-Y205 AromaticContact CZ-CE2 3.85Å; Y201-Y205 WeakPolarHBondContact O-CB 3.22Å; Y201-Y205 PolarHBondContact O-N 3.07Å; Y205-T536 CarbonylContact O-C 3.59Å; Y205-T536 WeakPolarHBondContact O-CA 3.42Å; Y205-A537 PolarHBondContact O-N 2.7Å; Y205-W538 VanDerWaalsContact CD1-CA 3.46Å; Y205-W538 HydrophobicContact CD1-CB 3.91Å; Y205-W538 HydrophobicContact CE1-CB 3.87Å; Y205-W538 HydrophobicContact CG-CB 4.46Å; Y205-R541 HydrophobicContact CD1-CB 4.31Å; Y205-R541 HydrophobicContact CD1-CG 3.87Å; Y205-R541 HydrophobicContact CE1-CB 4.06Å; Y205-R541 HydrophobicContact CE1-CG 4.08Å
206	R	91.3	Very high	92	Very high	97 Å²	97	53.5 Å²	53.5	37%	0.366	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-56.5	142.2	176.6	71.4	-175.4	-176	-162	-2	111.5	D180 K202 L203 Y204	D180-R206 IonicContact OD2-CZ 3.22Å; D180-R206 IonicContact OD2-NH2 3.39Å; D180-R206 PolarHBondContact OD2-NH2 3.47Å; K202-R206 WeakPolarHBondContact O-CA 3.23Å; K202-R206 WeakPolarHBondContact O-CB 3.31Å; K202-R206 PolarHBondContact O-N 3.4Å; K202-R206 VanDerWaalsContact O-N 3.07Å; L203-R206 WeakPolarHBondContact O-CG 3.26Å; L203-R206 PolarHBondContact O-N 3Å; Y204-R206 PolarHBondContact O-N 3.31Å
207	C	92.7	Very high	92.3	Very high	58 Å²	58	53.7 Å²	53.7	39%	0.392	25%	0.248	S	C	.	.			trans	-55.4	143.5	169.3	-64.5	0	0	0	0	110.8	G535	C207-G535 PolarHBondContact N-O 2.95Å; C207-G535 VanDerWaalsContact SG-C 3.57Å; C207-G535 PolarHBondContact SG-O 2.78Å
208	S	91.9	Very high	92.6	Very high	20 Å²	20	53.7 Å²	53.7	14%	0.14	25%	0.248	C	C	.	.			trans	-144.4	113.3	-178.4	171.9	0	0	0	0	108.6	Y210 Q211 E212 H540	S208-Y210 PolarHBondContact O-N 2.81Å; S208-Q211 PolarHBondContact O-N 3.35Å; S208-Q211 VanDerWaalsContact O-N 3.14Å; S208-Q211 PolarHBondContact OG-N 3.32Å; S208-E212 PolarHBondContact O-N 3.39Å; S208-H540 PolarHBondContact N-ND1 3.01Å; S208-H540 PolarHBondContact O-CE1 3.28Å
209	D	93.1	Very high	92.9	Very high	143 Å²	143	50.2 Å²	50.2	77%	0.765	24%	0.235	S	C	*	.	H	α-helix	trans	-60.4	-35.7	-179.6	-59.6	-17	0	0	0	111.4	E212 E213	D209-E212 PolarHBondContact O-N 3.37Å; D209-E213 WeakPolarHBondContact O-CB 3.48Å; D209-E213 PolarHBondContact O-N 3.44Å
210	Y	93.5	Very high	93.2	Very high	55 Å²	55	47.5 Å²	47.5	22%	0.216	22%	0.22	C	C	.	.	H	α-helix	trans	-63.4	-44.1	175.7	178.1	-94.1	0	0	0	112.2	R176 S208 E213 R214	R176-Y210 HydrophobicContact CB-CE1 4.24Å; R176-Y210 HydrophobicContact CG-CE1 4.01Å; S208-Y210 PolarHBondContact O-N 2.81Å; Y210-E213 PolarHBondContact O-N 2.86Å; Y210-R214 HydrophobicContact CD1-CG 4.27Å; Y210-R214 HydrophobicContact CE1-CG 3.84Å; Y210-R214 HydrophobicContact CE2-CG 4.11Å; Y210-R214 VanDerWaalsContact O-CG 3.26Å; Y210-R214 WeakPolarHBondContact O-CG 3.37Å; Y210-R214 PolarHBondContact O-N 3.39Å
211	Q	93.8	Very high	93.6	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.019	22%	0.218	C	C	.	.	H	α-helix	trans	-68.3	-40.7	179	-71.2	-70.4	5.2	0	0	111.5	F173 R176 S208 R214 L215 H540	F173-Q211 HydrophobicContact CE2-CB 4.47Å; F173-Q211 PolarHBondContact O-NE2 3.24Å; R176-Q211 VanDerWaalsContact CB-NE2 3.32Å; R176-Q211 PolarHBondContact O-NE2 3.3Å; S208-Q211 PolarHBondContact O-N 3.35Å; S208-Q211 VanDerWaalsContact O-N 3.14Å; S208-Q211 PolarHBondContact OG-N 3.32Å; Q211-R214 PolarHBondContact O-N 2.74Å; Q211-L215 VanDerWaalsContact O-CB 3.26Å; Q211-L215 WeakPolarHBondContact O-CB 3.49Å; Q211-L215 PolarHBondContact O-N 2.91Å; Q211-H540 HydrophobicContact CB-CB 3.72Å; Q211-H540 HydrophobicContact CG-CB 4.22Å
212	E	94.9	Very high	93.9	Very high	22 Å²	22	47.1 Å²	47.1	10%	0.103	22%	0.217	C	C	.	.	H	α-helix	trans	-58.5	-49.6	173.7	-178.2	72.7	164.2	0	0	110.9	S208 D209 R214 L215 L216 N514 T515 H540	S208-E212 PolarHBondContact O-N 3.39Å; D209-E212 PolarHBondContact O-N 3.37Å; E212-R214 PolarHBondContact O-N 3.25Å; E212-L215 PolarHBondContact O-N 2.87Å; E212-L216 HydrophobicContact CG-CD1 3.89Å; E212-L216 HydrophobicContact CG-CG 4.48Å; E212-L216 WeakPolarHBondContact O-CB 3.22Å; E212-L216 WeakPolarHBondContact O-CG 3.39Å; E212-L216 PolarHBondContact O-N 2.78Å; E212-N514 WeakPolarHBondContact OE1-CA 3.2Å; E212-T515 PolarHBondContact OE1-N 2.79Å; E212-T515 WeakPolarHBondContact OE2-CB 3.07Å; E212-T515 WeakPolarHBondContact OE2-CG2 3.15Å; E212-T515 PolarHBondContact OE2-OG1 3.22Å; E212-H540 IonicContact OE2-CD2 2.78Å; E212-H540 IonicContact OE2-NE2 2.77Å; E212-H540 PolarHBondContact OE2-NE2 2.91Å; E212-H540 VanDerWaalsContact OE2-NE2 3.08Å
213	E	95.1	Very high	94.2	Very high	103 Å²	103	44.2 Å²	44.2	48%	0.481	21%	0.208	S	C	.	.	H	α-helix	trans	-58.1	-48.4	178.7	-175.8	-161	128.4	0	0	111.9	D209 Y210 R217	D209-E213 WeakPolarHBondContact O-CB 3.48Å; D209-E213 PolarHBondContact O-N 3.44Å; Y210-E213 PolarHBondContact O-N 2.86Å; E213-R217 WeakPolarHBondContact O-CB 3.35Å; E213-R217 PolarHBondContact O-N 2.74Å
214	R	95.4	Very high	94.6	Very high	61 Å²	61	44 Å²	44	23%	0.23	21%	0.206	C	C	.	.	H	α-helix	trans	-66.6	-39.7	-179.1	-65.3	-67.9	148.4	-164	-14.9	111.7	D172 F173 Y210 Q211 E212 L218	D172-R214 HydrophobicContact CB-CG 4.45Å; F173-R214 HydrophobicContact CB-CB 4.42Å; Y210-R214 HydrophobicContact CD1-CG 4.27Å; Y210-R214 HydrophobicContact CE1-CG 3.84Å; Y210-R214 HydrophobicContact CE2-CG 4.11Å; Y210-R214 VanDerWaalsContact O-CG 3.26Å; Y210-R214 WeakPolarHBondContact O-CG 3.37Å; Y210-R214 PolarHBondContact O-N 3.39Å; Q211-R214 PolarHBondContact O-N 2.74Å; E212-R214 PolarHBondContact O-N 3.25Å; R214-L218 WeakPolarHBondContact O-CB 3.38Å; R214-L218 PolarHBondContact O-N 3.25Å
215	L	95.7	Very high	95	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-67	-49.9	178	179.4	56.4	0	0	0	111.7	F173 Q211 E212 R217 L218 L219 T515 L539 I545	F173-L215 HydrophobicContact CD2-CB 3.97Å; F173-L215 HydrophobicContact CE2-CB 3.76Å; F173-L215 HydrophobicContact CE2-CD1 4.32Å; F173-L215 HydrophobicContact CE2-CD2 4.13Å; F173-L215 HydrophobicContact CE2-CG 4.29Å; F173-L215 HydrophobicContact CZ-CD1 4.42Å; F173-L215 HydrophobicContact CZ-CD2 4.36Å; Q211-L215 VanDerWaalsContact O-CB 3.26Å; Q211-L215 WeakPolarHBondContact O-CB 3.49Å; Q211-L215 PolarHBondContact O-N 2.91Å; E212-L215 PolarHBondContact O-N 2.87Å; L215-R217 VanDerWaalsContact C-N 3.28Å; L215-R217 PolarHBondContact O-N 3.12Å; L215-L218 WeakPolarHBondContact O-CB 3.49Å; L215-L218 PolarHBondContact O-N 3.16Å; L215-L219 HydrophobicContact CD1-CD1 4.07Å; L215-L219 HydrophobicContact CD1-CG 4.15Å; L215-L219 HydrophobicContact CG-CD1 4.02Å; L215-L219 VanDerWaalsContact O-CG 3.31Å; L215-L219 WeakPolarHBondContact O-CG 3.44Å; L215-L219 PolarHBondContact O-N 3.29Å; L215-T515 HydrophobicContact CD2-CG2 4.17Å; L215-L539 HydrophobicContact CD2-CD2 3.59Å; L215-L539 HydrophobicContact CD2-CG 3.81Å; L215-I545 HydrophobicContact CD1-CD1 4.08Å; L215-I545 HydrophobicContact CD1-CG2 3.92Å
216	L	96.7	Very high	95.2	Very high	28 Å²	28	38.6 Å²	38.6	15%	0.147	19%	0.185	C	C	.	.	H	α-helix	trans	-59.3	-41.9	177.2	-74.2	173.6	0	0	0	111	E212 L218 L219 Q220 L510 V513 T515	E212-L216 HydrophobicContact CG-CD1 3.89Å; E212-L216 HydrophobicContact CG-CG 4.48Å; E212-L216 WeakPolarHBondContact O-CB 3.22Å; E212-L216 WeakPolarHBondContact O-CG 3.39Å; E212-L216 PolarHBondContact O-N 2.78Å; L216-L218 PolarHBondContact O-N 3.01Å; L216-L219 PolarHBondContact O-N 3.16Å; L216-Q220 WeakPolarHBondContact O-CB 3.41Å; L216-Q220 VanDerWaalsContact O-CG 3.3Å; L216-Q220 WeakPolarHBondContact O-CG 3.31Å; L216-Q220 PolarHBondContact O-N 3.2Å; L216-L510 HydrophobicContact CD2-CD2 4.47Å; L216-V513 HydrophobicContact CD2-CB 4.29Å; L216-V513 HydrophobicContact CD2-CG1 4.34Å; L216-T515 HydrophobicContact CD2-CG2 3.73Å; L216-T515 HydrophobicContact CG-CG2 4.14Å
217	R	96.7	Very high	95.3	Very high	69 Å²	69	38.1 Å²	38.1	26%	0.26	20%	0.196	S	C	.	.	H	α-helix	trans	-65.3	-40.4	177.6	-171.3	58.4	-177.7	148.2	8.2	112.6	E165 E213 L215 Q220 C221	E165-R217 VanDerWaalsContact CD-NE 3.31Å; E165-R217 IonicContact OE1-CZ 2.66Å; E165-R217 IonicContact OE1-NE 3.49Å; E165-R217 PolarHBondContact OE1-NE 2.86Å; E165-R217 IonicContact OE1-NH2 3.44Å; E165-R217 PolarHBondContact OE1-NH2 3.33Å; E165-R217 VanDerWaalsContact OE1-NH2 3.15Å; E165-R217 IonicContact OE2-CZ 3.39Å; E165-R217 IonicContact OE2-NE 2.74Å; E165-R217 IonicContact OE2-NH2 3.46Å; E165-R217 PolarHBondContact OE2-NH2 2.95Å; E213-R217 WeakPolarHBondContact O-CB 3.35Å; E213-R217 PolarHBondContact O-N 2.74Å; L215-R217 VanDerWaalsContact C-N 3.28Å; L215-R217 PolarHBondContact O-N 3.12Å; R217-Q220 PolarHBondContact O-N 3.16Å; R217-C221 PolarHBondContact O-N 3.29Å; R217-C221 PolarHBondContact O-SG 2.93Å; R217-C221 VanDerWaalsContact O-SG 3.32Å
218	L	97.2	Very high	95.4	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-57.2	-49.5	172.5	168.1	64.3	0	0	0	111.3	A166 C169 R214 L215 L216 C221 R222 V546	A166-L218 HydrophobicContact CB-CD1 3.93Å; A166-L218 WeakPolarHBondContact O-CD1 3.34Å; C169-L218 HydrophobicContact CB-CB 4.11Å; R214-L218 WeakPolarHBondContact O-CB 3.38Å; R214-L218 PolarHBondContact O-N 3.25Å; L215-L218 WeakPolarHBondContact O-CB 3.49Å; L215-L218 PolarHBondContact O-N 3.16Å; L216-L218 PolarHBondContact O-N 3.01Å; L218-C221 PolarHBondContact O-N 3.29Å; L218-R222 HydrophobicContact CD1-CG 4.4Å; L218-R222 WeakPolarHBondContact O-CG 3.47Å; L218-R222 PolarHBondContact O-N 2.82Å; L218-V546 HydrophobicContact CD2-CG2 3.87Å
219	L	97.5	Very high	95.4	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.016	19%	0.186	C	C	.	.	H	α-helix	trans	-65.1	-41.2	-178.6	-66.6	169.8	0	0	0	111.8	L215 L216 R222 A223 L504 H505 L510	L215-L219 HydrophobicContact CD1-CD1 4.07Å; L215-L219 HydrophobicContact CD1-CG 4.15Å; L215-L219 HydrophobicContact CG-CD1 4.02Å; L215-L219 VanDerWaalsContact O-CG 3.31Å; L215-L219 WeakPolarHBondContact O-CG 3.44Å; L215-L219 PolarHBondContact O-N 3.29Å; L216-L219 PolarHBondContact O-N 3.16Å; L219-R222 WeakPolarHBondContact O-CB 3.3Å; L219-R222 PolarHBondContact O-N 2.94Å; L219-A223 PolarHBondContact O-N 3.09Å; L219-L504 HydrophobicContact CD1-CB 4.03Å; L219-L504 HydrophobicContact CD1-CD1 4.47Å; L219-L504 HydrophobicContact CD1-CD2 4.02Å; L219-L504 HydrophobicContact CD1-CG 4.4Å; L219-L504 HydrophobicContact CD2-CB 4.24Å; L219-H505 WeakPolarHBondContact CD2-NE2 3.46Å; L219-L510 HydrophobicContact CB-CD1 3.44Å; L219-L510 VanDerWaalsContact CB-CD1 3.44Å; L219-L510 HydrophobicContact CB-CD2 4.47Å
220	Q	97.1	Very high	95.4	Very high	40 Å²	40	33.3 Å²	33.3	19%	0.187	18%	0.184	C	C	.	.	H	α-helix	trans	-59.2	-49.8	173.9	-76.7	170.7	-20	0	0	111.6	L216 R217 R222 A223 E224 L510 D511	L216-Q220 WeakPolarHBondContact O-CB 3.41Å; L216-Q220 VanDerWaalsContact O-CG 3.3Å; L216-Q220 WeakPolarHBondContact O-CG 3.31Å; L216-Q220 PolarHBondContact O-N 3.2Å; R217-Q220 PolarHBondContact O-N 3.16Å; Q220-R222 VanDerWaalsContact C-N 3.26Å; Q220-R222 PolarHBondContact O-N 2.87Å; Q220-A223 PolarHBondContact O-N 3.11Å; Q220-E224 PolarHBondContact O-N 2.89Å; Q220-L510 HydrophobicContact CG-CB 3.78Å; Q220-L510 HydrophobicContact CG-CD1 4.1Å; Q220-D511 PolarHBondContact NE2-OD1 3.08Å
221	C	96.9	Very high	95.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.1	-41.9	177.1	-71.4	0	0	0	0	111.2	L162 A166 R217 L218 E224 I225	L162-C221 HydrophobicContact CD2-CB 4.35Å; A166-C221 HydrophobicContact CB-CB 3.82Å; R217-C221 PolarHBondContact O-N 3.29Å; R217-C221 PolarHBondContact O-SG 2.93Å; R217-C221 VanDerWaalsContact O-SG 3.32Å; L218-C221 PolarHBondContact O-N 3.29Å; C221-E224 PolarHBondContact O-N 3.32Å; C221-I225 WeakPolarHBondContact O-CB 3.4Å; C221-I225 WeakPolarHBondContact O-CD1 3.46Å; C221-I225 WeakPolarHBondContact O-CG1 3.34Å; C221-I225 PolarHBondContact O-N 3.15Å
222	R	96.8	Very high	95.3	Very high	19 Å²	19	38.9 Å²	38.9	7%	0.072	21%	0.213	C	C	.	.	H	α-helix	trans	-62	-44.4	176.2	-80.1	-179.8	172.6	166.2	2.2	113.2	L218 L219 Q220 I225 A226 Y234 H505 I545 V546	L218-R222 HydrophobicContact CD1-CG 4.4Å; L218-R222 WeakPolarHBondContact O-CG 3.47Å; L218-R222 PolarHBondContact O-N 2.82Å; L219-R222 WeakPolarHBondContact O-CB 3.3Å; L219-R222 PolarHBondContact O-N 2.94Å; Q220-R222 VanDerWaalsContact C-N 3.26Å; Q220-R222 PolarHBondContact O-N 2.87Å; R222-I225 PolarHBondContact O-N 2.72Å; R222-A226 WeakPolarHBondContact O-CB 3.21Å; R222-A226 PolarHBondContact O-N 2.69Å; R222-Y234 HydrophobicContact CB-CD1 4.5Å; R222-Y234 HydrophobicContact CB-CD2 3.46Å; R222-Y234 VanDerWaalsContact CB-CD2 3.46Å; R222-Y234 HydrophobicContact CB-CE2 3.89Å; R222-Y234 HydrophobicContact CB-CG 3.79Å; R222-Y234 HydrophobicContact CG-CD2 3.73Å; R222-Y234 HydrophobicContact CG-CE1 4.49Å; R222-Y234 HydrophobicContact CG-CE2 3.58Å; R222-Y234 HydrophobicContact CG-CG 4.23Å; R222-H505 PolarHBondContact NH1-NE2 2.7Å; R222-I545 PolarHBondContact NH1-O 3.06Å; R222-V546 PolarHBondContact NH2-O 2.72Å
223	A	96.8	Very high	95.4	Very high	18 Å²	18	38.3 Å²	38.3	15%	0.149	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-44.7	176.6	0	0	0	0	0	111.5	L219 Q220 A226 S227	L219-A223 PolarHBondContact O-N 3.09Å; Q220-A223 PolarHBondContact O-N 3.11Å; A223-A226 PolarHBondContact O-N 3.01Å; A223-S227 PolarHBondContact O-N 3.44Å
224	E	95.8	Very high	95.4	Very high	62 Å²	62	35.5 Å²	35.5	29%	0.29	20%	0.197	S	C	.	.	H	α-helix	trans	-64.6	-42.3	176.4	-71.5	-168.2	-113.9	0	0	112.4	K158 L162 Q220 C221 A226 S227 L228	K158-E224 WeakPolarHBondContact CE-OE2 3.42Å; K158-E224 IonicContact NZ-OE2 2.78Å; K158-E224 PolarHBondContact NZ-OE2 3.38Å; L162-E224 HydrophobicContact CD1-CB 3.58Å; L162-E224 HydrophobicContact CD2-CB 4.31Å; Q220-E224 PolarHBondContact O-N 2.89Å; C221-E224 PolarHBondContact O-N 3.32Å; E224-A226 VanDerWaalsContact C-N 3.33Å; E224-A226 PolarHBondContact O-N 3.37Å; E224-S227 PolarHBondContact O-N 2.87Å; E224-L228 WeakPolarHBondContact O-CG 3.27Å; E224-L228 PolarHBondContact O-N 3.47Å
225	I	95	Very high	95.4	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.036	19%	0.186	C	C	.	.	H	α-helix	trans	-59.9	-45	175.4	-73.2	166.2	0	0	0	110.5	F159 L162 C221 R222 L228 A229	F159-I225 HydrophobicContact CD2-CG2 4.12Å; F159-I225 HydrophobicContact CE1-CG2 4.44Å; F159-I225 HydrophobicContact CE2-CB 4.43Å; F159-I225 HydrophobicContact CE2-CG2 3.45Å; F159-I225 VanDerWaalsContact CE2-CG2 3.45Å; F159-I225 HydrophobicContact CZ-CG2 3.62Å; L162-I225 HydrophobicContact CB-CD1 3.94Å; L162-I225 HydrophobicContact CB-CG1 3.66Å; L162-I225 HydrophobicContact CD1-CG1 4.2Å; C221-I225 WeakPolarHBondContact O-CB 3.4Å; C221-I225 WeakPolarHBondContact O-CD1 3.46Å; C221-I225 WeakPolarHBondContact O-CG1 3.34Å; C221-I225 PolarHBondContact O-N 3.15Å; R222-I225 PolarHBondContact O-N 2.72Å; I225-L228 PolarHBondContact O-N 3.24Å; I225-A229 WeakPolarHBondContact O-CB 3.38Å; I225-A229 PolarHBondContact O-N 3.4Å
226	A	94.6	Very high	95.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.4	-45.9	177.7	0	0	0	0	0	111.3	R222 A223 E224 L228 A229 G230 Y231 S233	R222-A226 WeakPolarHBondContact O-CB 3.21Å; R222-A226 PolarHBondContact O-N 2.69Å; A223-A226 PolarHBondContact O-N 3.01Å; E224-A226 VanDerWaalsContact C-N 3.33Å; E224-A226 PolarHBondContact O-N 3.37Å; A226-L228 PolarHBondContact O-N 3.02Å; A226-A229 CarbonylContact O-C 3.54Å; A226-A229 PolarHBondContact O-N 3.01Å; A226-G230 PolarHBondContact O-N 3.28Å; A226-Y231 WeakPolarHBondContact O-CB 3.44Å; A226-Y231 PolarHBondContact O-N 2.95Å; A226-S233 WeakPolarHBondContact CB-O 3.34Å
227	S	94.7	Very high	95.2	Very high	86 Å²	86	35.9 Å²	35.9	60%	0.601	20%	0.2	S	C	*	.	H	α-helix	trans	-61.1	-42.6	176.4	178.7	0	0	0	0	112.6	A223 E224 A229 G230	A223-S227 PolarHBondContact O-N 3.44Å; E224-S227 PolarHBondContact O-N 2.87Å; S227-A229 VanDerWaalsContact C-N 3.28Å; S227-A229 PolarHBondContact O-N 2.96Å; S227-G230 PolarHBondContact O-N 3.43Å; S227-G230 VanDerWaalsContact O-N 3.15Å
228	L	94.7	Very high	95	Very high	32 Å²	32	33.1 Å²	33.1	17%	0.168	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-36.8	176.3	-74.2	173.4	0	0	0	112	L151 Q155 K158 F159 L162 E224 I225 A226 G230	L151-L228 HydrophobicContact CD1-CB 4.24Å; L151-L228 VanDerWaalsContact CD2-O 3.24Å; L151-L228 WeakPolarHBondContact CD2-O 3.32Å; Q155-L228 HydrophobicContact CB-CD2 4.26Å; Q155-L228 HydrophobicContact CG-CD2 4.25Å; K158-L228 HydrophobicContact CB-CD1 4.25Å; K158-L228 HydrophobicContact CD-CD1 4.14Å; K158-L228 HydrophobicContact CD-CD2 4.48Å; K158-L228 HydrophobicContact CG-CD1 4.09Å; F159-L228 HydrophobicContact CB-CD1 4.16Å; F159-L228 HydrophobicContact CD2-CB 4.22Å; F159-L228 HydrophobicContact CD2-CD1 4.47Å; L162-L228 HydrophobicContact CD1-CD1 3.79Å; E224-L228 WeakPolarHBondContact O-CG 3.27Å; E224-L228 PolarHBondContact O-N 3.47Å; I225-L228 PolarHBondContact O-N 3.24Å; A226-L228 PolarHBondContact O-N 3.02Å; L228-G230 PolarHBondContact O-N 3.47Å
229	A	92	Very high	94.8	Very high	18 Å²	18	33.1 Å²	33.1	15%	0.149	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	6.5	177.5	0	0	0	0	0	113.9	F159 I225 A226 S227 Y231	F159-A229 HydrophobicContact CE2-CB 4.29Å; I225-A229 WeakPolarHBondContact O-CB 3.38Å; I225-A229 PolarHBondContact O-N 3.4Å; A226-A229 CarbonylContact O-C 3.54Å; A226-A229 PolarHBondContact O-N 3.01Å; S227-A229 VanDerWaalsContact C-N 3.28Å; S227-A229 PolarHBondContact O-N 2.96Å; A229-Y231 HydrophobicContact CB-CD2 3.7Å; A229-Y231 HydrophobicContact CB-CE2 3.82Å; A229-Y231 WeakPolarHBondContact O-CD2 3.2Å; A229-Y231 WeakPolarHBondContact O-CE2 3.5Å
230	G	92.3	Very high	94.3	Very high	70 Å²	70	36.6 Å²	36.6	72%	0.722	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	84	14.7	175.6	0	0	0	0	0	115.4	A226 S227 L228	A226-G230 PolarHBondContact O-N 3.28Å; S227-G230 PolarHBondContact O-N 3.43Å; S227-G230 VanDerWaalsContact O-N 3.15Å; L228-G230 PolarHBondContact O-N 3.47Å
231	Y	92.6	Very high	93.6	Very high	64 Å²	64	38.8 Å²	38.8	25%	0.251	22%	0.219	S	C	.	.			trans	-94.8	149.4	178.3	-64.7	-88.2	0	0	0	112.1	A226 A229 D236 R237 Q240	A226-Y231 WeakPolarHBondContact O-CB 3.44Å; A226-Y231 PolarHBondContact O-N 2.95Å; A229-Y231 HydrophobicContact CB-CD2 3.7Å; A229-Y231 HydrophobicContact CB-CE2 3.82Å; A229-Y231 WeakPolarHBondContact O-CD2 3.2Å; A229-Y231 WeakPolarHBondContact O-CE2 3.5Å; Y231-D236 HydrophobicContact CD1-CB 4.4Å; Y231-R237 HydrophobicContact CD1-CB 3.75Å; Y231-R237 HydrophobicContact CD1-CG 4.35Å; Y231-R237 HydrophobicContact CD2-CB 3.87Å; Y231-R237 HydrophobicContact CD2-CG 3.87Å; Y231-R237 HydrophobicContact CE1-CB 4.1Å; Y231-R237 HydrophobicContact CE1-CG 4.29Å; Y231-R237 HydrophobicContact CE2-CB 4.24Å; Y231-R237 HydrophobicContact CE2-CG 3.83Å; Y231-R237 HydrophobicContact CG-CB 3.63Å; Y231-R237 HydrophobicContact CG-CG 4.15Å; Y231-Q240 HydrophobicContact CE1-CG 4.34Å; Y231-Q240 VanDerWaalsContact CE1-NE2 3.31Å; Y231-Q240 PolarHBondContact OH-NE2 3.05Å; Y231-Q240 PolarHBondContact OH-OE1 2.94Å
232	N	93.5	Very high	93.2	Very high	113 Å²	113	39.2 Å²	39.2	60%	0.604	22%	0.221	S	C	*	.	S	Bend	trans	-72.9	-30.1	176.9	-79.7	-39.3	0	0	0	112.9	D236 R508	N232-D236 WeakPolarHBondContact CB-OD2 3.45Å; N232-R508 VanDerWaalsContact CB-NH2 3.32Å; N232-R508 PolarHBondContact O-NE 3.49Å; N232-R508 PolarHBondContact O-NH2 3.1Å; N232-R508 PolarHBondContact OD1-NH2 3.08Å
233	S	95.5	Very high	93	Very high	10 Å²	10	39.4 Å²	39.4	7%	0.07	22%	0.223	C	C	.	.	S	Bend	trans	-152.3	167.4	177.7	65.1	0	0	0	0	109.7	A226 A235 D236 R237	A226-S233 WeakPolarHBondContact CB-O 3.34Å; S233-A235 PolarHBondContact O-N 3.4Å; S233-A235 PolarHBondContact OG-N 3.29Å; S233-D236 PolarHBondContact N-OD2 2.81Å; S233-D236 VanDerWaalsContact N-OD2 3.11Å; S233-D236 PolarHBondContact O-N 2.99Å; S233-D236 PolarHBondContact OG-N 2.64Å; S233-D236 VanDerWaalsContact OG-N 3.07Å; S233-D236 PolarHBondContact OG-OD2 3.31Å; S233-R237 PolarHBondContact O-N 3.34Å
234	Y	96	Very high	92.8	Very high	44 Å²	44	38.9 Å²	38.9	17%	0.173	22%	0.218	C	C	.	.	H	α-helix	trans	-65.3	-33.4	172	-173.8	-92.5	0	0	0	111	R222 R237 A238 H505 G549	R222-Y234 HydrophobicContact CB-CD1 4.5Å; R222-Y234 HydrophobicContact CB-CD2 3.46Å; R222-Y234 VanDerWaalsContact CB-CD2 3.46Å; R222-Y234 HydrophobicContact CB-CE2 3.89Å; R222-Y234 HydrophobicContact CB-CG 3.79Å; R222-Y234 HydrophobicContact CG-CD2 3.73Å; R222-Y234 HydrophobicContact CG-CE1 4.49Å; R222-Y234 HydrophobicContact CG-CE2 3.58Å; R222-Y234 HydrophobicContact CG-CG 4.23Å; Y234-R237 WeakPolarHBondContact O-CB 3.36Å; Y234-R237 PolarHBondContact O-N 3.07Å; Y234-A238 HydrophobicContact CD1-CB 4.3Å; Y234-A238 HydrophobicContact CE1-CB 4.13Å; Y234-A238 WeakPolarHBondContact O-CB 3.36Å; Y234-A238 PolarHBondContact O-N 2.75Å; Y234-H505 HydrophobicContact CD1-CB 4.21Å; Y234-H505 AromaticContact CD1-CD2 3.27Å; Y234-H505 WeakPolarHBondContact CD1-CD2 3.42Å; Y234-H505 AromaticContact CD1-CG 3.93Å; Y234-H505 AromaticContact CE1-CD2 3.86Å; Y234-H505 AromaticContact CG-CD2 3.96Å; Y234-H505 PolarHBondContact N-O 3.09Å; Y234-G549 WeakPolarHBondContact CE1-O 3.26Å
235	A	96.5	Very high	92.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.4	-45	174.2	0	0	0	0	0	113.1	S233 R237 A238 L239 L502 H505 Q506 S550	S233-A235 PolarHBondContact O-N 3.4Å; S233-A235 PolarHBondContact OG-N 3.29Å; A235-R237 PolarHBondContact O-N 3.17Å; A235-A238 PolarHBondContact O-N 2.76Å; A235-A238 VanDerWaalsContact O-N 3.14Å; A235-L239 HydrophobicContact CB-CD1 4.45Å; A235-L239 WeakPolarHBondContact O-CB 3.48Å; A235-L239 WeakPolarHBondContact O-CG 3.35Å; A235-L239 PolarHBondContact O-N 2.85Å; A235-L502 HydrophobicContact CB-CD1 3.99Å; A235-H505 HydrophobicContact CB-CB 4.29Å; A235-H505 PolarHBondContact N-O 3.41Å; A235-Q506 HydrophobicContact CB-CG 3.82Å; A235-S550 WeakPolarHBondContact CA-OG 3.47Å; A235-S550 WeakPolarHBondContact CB-OG 3.2Å
236	D	94.3	Very high	92.4	Very high	55 Å²	55	44.7 Å²	44.7	29%	0.294	24%	0.241	S	C	.	.	H	α-helix	trans	-62.4	-31.3	177.6	-61.8	-46	0	0	0	112.5	Y231 N232 S233 Q240	Y231-D236 HydrophobicContact CD1-CB 4.4Å; N232-D236 WeakPolarHBondContact CB-OD2 3.45Å; S233-D236 PolarHBondContact N-OD2 2.81Å; S233-D236 VanDerWaalsContact N-OD2 3.11Å; S233-D236 PolarHBondContact O-N 2.99Å; S233-D236 PolarHBondContact OG-N 2.64Å; S233-D236 VanDerWaalsContact OG-N 3.07Å; S233-D236 PolarHBondContact OG-OD2 3.31Å; D236-Q240 VanDerWaalsContact O-CG 3.3Å; D236-Q240 WeakPolarHBondContact O-CG 3.47Å
237	R	92.4	Very high	92.4	Very high	41 Å²	41	44.8 Å²	44.8	16%	0.155	24%	0.241	C	C	.	.	H	α-helix	trans	-73.9	-44	173.9	-176.3	179.9	174	-144.4	5	111.6	T146 Y231 S233 Y234 A235	T146-R237 VanDerWaalsContact CG2-NH2 3.29Å; T146-R237 PolarHBondContact O-NH2 3.46Å; Y231-R237 HydrophobicContact CD1-CB 3.75Å; Y231-R237 HydrophobicContact CD1-CG 4.35Å; Y231-R237 HydrophobicContact CD2-CB 3.87Å; Y231-R237 HydrophobicContact CD2-CG 3.87Å; Y231-R237 HydrophobicContact CE1-CB 4.1Å; Y231-R237 HydrophobicContact CE1-CG 4.29Å; Y231-R237 HydrophobicContact CE2-CB 4.24Å; Y231-R237 HydrophobicContact CE2-CG 3.83Å; Y231-R237 HydrophobicContact CG-CB 3.63Å; Y231-R237 HydrophobicContact CG-CG 4.15Å; S233-R237 PolarHBondContact O-N 3.34Å; Y234-R237 WeakPolarHBondContact O-CB 3.36Å; Y234-R237 PolarHBondContact O-N 3.07Å; A235-R237 PolarHBondContact O-N 3.17Å
238	A	93	Very high	92.5	Very high	12 Å²	12	48.6 Å²	48.6	10%	0.099	25%	0.247	C	C	.	.	H	α-helix	trans	-73.2	-36.7	-173.8	0	0	0	0	0	112.9	Y234 A235 Q240 K551	Y234-A238 HydrophobicContact CD1-CB 4.3Å; Y234-A238 HydrophobicContact CE1-CB 4.13Å; Y234-A238 WeakPolarHBondContact O-CB 3.36Å; Y234-A238 PolarHBondContact O-N 2.75Å; A235-A238 PolarHBondContact O-N 2.76Å; A235-A238 VanDerWaalsContact O-N 3.14Å; A238-Q240 VanDerWaalsContact C-N 3.28Å; A238-Q240 PolarHBondContact O-N 3.27Å; A238-K551 HydrophobicContact CB-CG 4.32Å; A238-K551 WeakPolarHBondContact O-CE 3.39Å
239	L	93.6	Very high	92.5	Very high	1 Å²	1	50 Å²	50	1%	0.005	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	2.2	-173.6	-67.2	172	0	0	0	114.2	A235 Q241 M242 V250 L502 S550	A235-L239 HydrophobicContact CB-CD1 4.45Å; A235-L239 WeakPolarHBondContact O-CB 3.48Å; A235-L239 WeakPolarHBondContact O-CG 3.35Å; A235-L239 PolarHBondContact O-N 2.85Å; L239-Q241 PolarHBondContact O-N 3.23Å; L239-M242 HydrophobicContact CD2-CG 4.33Å; L239-M242 WeakPolarHBondContact O-CB 3.28Å; L239-M242 VanDerWaalsContact O-CG 3.31Å; L239-M242 WeakPolarHBondContact O-CG 3.44Å; L239-M242 PolarHBondContact O-N 3.01Å; L239-V250 HydrophobicContact CD1-CG2 3.88Å; L239-V250 HydrophobicContact CD2-CG2 4Å; L239-L502 HydrophobicContact CD1-CD1 4.04Å; L239-S550 VanDerWaalsContact CD2-O 3.24Å; L239-S550 WeakPolarHBondContact CD2-O 3.27Å
240	Q	85.8	Confident	92.8	Very high	77 Å²	77	49.2 Å²	49.2	36%	0.36	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	136.1	175.9	-64.4	-158.4	-37.5	0	0	111.3	Y231 D236 A238 M242	Y231-Q240 HydrophobicContact CE1-CG 4.34Å; Y231-Q240 VanDerWaalsContact CE1-NE2 3.31Å; Y231-Q240 PolarHBondContact OH-NE2 3.05Å; Y231-Q240 PolarHBondContact OH-OE1 2.94Å; D236-Q240 VanDerWaalsContact O-CG 3.3Å; D236-Q240 WeakPolarHBondContact O-CG 3.47Å; A238-Q240 VanDerWaalsContact C-N 3.28Å; A238-Q240 PolarHBondContact O-N 3.27Å; Q240-M242 PolarHBondContact O-N 3.46Å
241	Q	82.4	Confident	93	Very high	86 Å²	86	46.4 Å²	46.4	40%	0.402	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.5	3.6	179	-50.7	-58.2	-54.8	0	0	116.1	L239 S447	L239-Q241 PolarHBondContact O-N 3.23Å; Q241-S447 WeakPolarHBondContact O-CB 3.44Å
242	M	89.5	Confident	93.3	Very high	9 Å²	9	45.6 Å²	45.6	4%	0.044	22%	0.218	C	C	.	.	S	Bend	trans	-70	160.5	168.9	-54.6	-67.5	-89.6	0	0	109.7	L239 Q240 L244 D449 K551 S554	L239-M242 HydrophobicContact CD2-CG 4.33Å; L239-M242 WeakPolarHBondContact O-CB 3.28Å; L239-M242 VanDerWaalsContact O-CG 3.31Å; L239-M242 WeakPolarHBondContact O-CG 3.44Å; L239-M242 PolarHBondContact O-N 3.01Å; Q240-M242 PolarHBondContact O-N 3.46Å; M242-L244 VanDerWaalsContact C-N 3.3Å; M242-L244 WeakPolarHBondContact CB-O 3.48Å; M242-L244 PolarHBondContact O-N 3.35Å; M242-D449 WeakPolarHBondContact CB-OD2 3.37Å; M242-D449 HydrophobicContact CE-CB 4.18Å; M242-K551 HydrophobicContact CE-CB 4.31Å; M242-K551 HydrophobicContact CE-CD 4.26Å; M242-K551 HydrophobicContact CE-CG 4.12Å; M242-S554 WeakPolarHBondContact CE-OG 3.3Å
243	L	91.2	Very high	93.5	Very high	22 Å²	22	40.2 Å²	40.2	12%	0.115	19%	0.189	C	C	.	.	S	Bend	trans	-57.4	-44.9	172.2	-70.2	165.7	0	0	0	110.8	D449 V557 V561 P595 A596 L599	L243-D449 WeakPolarHBondContact CA-OD2 3.45Å; L243-D449 VanDerWaalsContact CB-OD2 3.26Å; L243-D449 WeakPolarHBondContact CB-OD2 3.48Å; L243-D449 HydrophobicContact CD1-CB 4.45Å; L243-D449 PolarHBondContact N-OD2 3.42Å; L243-V557 HydrophobicContact CB-CG1 4.28Å; L243-V557 HydrophobicContact CD1-CG1 4.03Å; L243-V561 HydrophobicContact CD1-CG2 4.06Å; L243-P595 HydrophobicContact CD2-CB 3.64Å; L243-P595 HydrophobicContact CG-CB 4.13Å; L243-A596 HydrophobicContact CD2-CB 4.24Å; L243-L599 HydrophobicContact CD2-CD2 4.38Å
244	L	92.6	Very high	93.6	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.037	19%	0.186	C	C	.	.	S	Bend	trans	-94.9	106.8	168	-58.6	-170.8	0	0	0	109.5	M242 N246 E249 V250 F253 V557 P609 L612	M242-L244 VanDerWaalsContact C-N 3.3Å; M242-L244 WeakPolarHBondContact CB-O 3.48Å; M242-L244 PolarHBondContact O-N 3.35Å; L244-N246 PolarHBondContact O-N 3.47Å; L244-E249 HydrophobicContact CB-CB 4.2Å; L244-E249 HydrophobicContact CD2-CB 4.42Å; L244-V250 HydrophobicContact CB-CG2 3.78Å; L244-V250 HydrophobicContact CD1-CG2 4.3Å; L244-F253 HydrophobicContact CD1-CB 3.65Å; L244-F253 HydrophobicContact CD1-CD1 3.93Å; L244-F253 HydrophobicContact CD1-CG 3.88Å; L244-V557 HydrophobicContact CD1-CG2 3.61Å; L244-V557 HydrophobicContact CG-CG2 4.07Å; L244-P609 HydrophobicContact CD2-CG 4.08Å; L244-L612 HydrophobicContact CD2-CD1 4.09Å
245	R	89.6	Confident	93.7	Very high	139 Å²	139	41.2 Å²	41.2	53%	0.525	19%	0.194	S	C	.	.			trans	-83.1	-10.6	-155.9	-60.2	173.4	178.2	-178.1	-1.9	114.7	E249	R245-E249 WeakPolarHBondContact CB-OE2 3.46Å; R245-E249 PolarHBondContact N-OE2 2.8Å
246	N	93.3	Very high	93.8	Very high	52 Å²	52	42 Å²	42	28%	0.278	20%	0.201	S	C	.	.	S	Bend	trans	-159.2	166.1	-175.9	59.8	71.1	0	0	0	111.5	L244 K248 E249 V250	L244-N246 PolarHBondContact O-N 3.47Å; N246-K248 PolarHBondContact O-N 2.85Å; N246-K248 VanDerWaalsContact O-N 3.16Å; N246-K248 WeakPolarHBondContact OD1-CA 2.84Å; N246-K248 VanDerWaalsContact OD1-CB 3.29Å; N246-K248 WeakPolarHBondContact OD1-CB 3.3Å; N246-K248 PolarHBondContact OD1-N 2.96Å; N246-E249 PolarHBondContact O-N 2.98Å; N246-E249 PolarHBondContact OD1-N 3.29Å; N246-V250 PolarHBondContact O-N 3.49Å; N246-V250 VanDerWaalsContact O-N 3.16Å
247	G	95.3	Very high	93.9	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.021	19%	0.187	C	C	.	.	H	α-helix	trans	-61.9	-24.4	-177.5	0	0	0	0	0	114.6	S251	G247-S251 WeakPolarHBondContact O-CB 3.39Å; G247-S251 PolarHBondContact O-N 3.33Å
248	K	95.8	Very high	94.2	Very high	166 Å²	166	37.8 Å²	37.8	72%	0.722	18%	0.181	S	C	*	.	H	α-helix	trans	-71.6	-43.8	176.5	179.8	-177.7	177.1	-177.4	0	111.3	N246 S251 T252	N246-K248 PolarHBondContact O-N 2.85Å; N246-K248 VanDerWaalsContact O-N 3.16Å; N246-K248 WeakPolarHBondContact OD1-CA 2.84Å; N246-K248 VanDerWaalsContact OD1-CB 3.29Å; N246-K248 WeakPolarHBondContact OD1-CB 3.3Å; N246-K248 PolarHBondContact OD1-N 2.96Å; K248-S251 PolarHBondContact O-N 3.16Å; K248-T252 WeakPolarHBondContact O-CB 3.45Å; K248-T252 PolarHBondContact O-N 3.04Å; K248-T252 PolarHBondContact O-OG1 2.96Å
249	E	96	Very high	94.3	Very high	61 Å²	61	42.8 Å²	42.8	29%	0.285	21%	0.206	S	C	.	.	H	α-helix	trans	-63.4	-43.1	176	-73	174.6	-176.7	0	0	111.2	L244 R245 N246 T252 F253 P609	L244-E249 HydrophobicContact CB-CB 4.2Å; L244-E249 HydrophobicContact CD2-CB 4.42Å; R245-E249 WeakPolarHBondContact CB-OE2 3.46Å; R245-E249 PolarHBondContact N-OE2 2.8Å; N246-E249 PolarHBondContact O-N 2.98Å; N246-E249 PolarHBondContact OD1-N 3.29Å; E249-T252 PolarHBondContact O-N 2.92Å; E249-F253 PolarHBondContact O-N 3.26Å; E249-P609 HydrophobicContact CB-CG 4.2Å; E249-P609 HydrophobicContact CG-CG 4.38Å
250	V	97.3	Very high	94.3	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	23%	0.226	C	C	.	.	H	α-helix	trans	-63.7	-47.2	175.9	-178.8	0	0	0	0	111.5	L239 L244 N246 T252 F253 L254 L502 S553	L239-V250 HydrophobicContact CD1-CG2 3.88Å; L239-V250 HydrophobicContact CD2-CG2 4Å; L244-V250 HydrophobicContact CB-CG2 3.78Å; L244-V250 HydrophobicContact CD1-CG2 4.3Å; N246-V250 PolarHBondContact O-N 3.49Å; N246-V250 VanDerWaalsContact O-N 3.16Å; V250-T252 VanDerWaalsContact C-N 3.32Å; V250-T252 PolarHBondContact O-N 2.74Å; V250-F253 PolarHBondContact O-N 2.98Å; V250-L254 HydrophobicContact CG1-CD1 3.81Å; V250-L254 HydrophobicContact CG1-CG 4.24Å; V250-L254 VanDerWaalsContact O-CG 3.31Å; V250-L254 WeakPolarHBondContact O-CG 3.48Å; V250-L254 PolarHBondContact O-N 3.37Å; V250-L502 HydrophobicContact CB-CD2 4.03Å; V250-L502 HydrophobicContact CG1-CD2 3.88Å; V250-S553 WeakPolarHBondContact CG1-OG 3.4Å
251	S	97.5	Very high	94.8	Very high	12 Å²	12	42 Å²	42	8%	0.084	21%	0.209	C	C	.	.	H	α-helix	trans	-61	-42	177	-150.9	0	0	0	0	111.1	G247 K248 F253 L254 E255 R503	G247-S251 WeakPolarHBondContact O-CB 3.39Å; G247-S251 PolarHBondContact O-N 3.33Å; K248-S251 PolarHBondContact O-N 3.16Å; S251-F253 VanDerWaalsContact C-N 3.34Å; S251-F253 PolarHBondContact O-N 3.42Å; S251-L254 PolarHBondContact O-N 3.28Å; S251-E255 VanDerWaalsContact O-CB 3.23Å; S251-E255 WeakPolarHBondContact O-CB 3.26Å; S251-E255 WeakPolarHBondContact O-CG 3.4Å; S251-E255 PolarHBondContact O-N 3.44Å; S251-E255 PolarHBondContact OG-OE1 3.4Å; S251-R503 PolarHBondContact OG-NH2 3.46Å
252	T	97.9	Very high	95.4	Very high	47 Å²	47	42.8 Å²	42.8	29%	0.288	21%	0.209	S	C	.	.	H	α-helix	trans	-61.1	-42	177.6	-56.5	0	0	0	0	111.7	K248 E249 V250 A256 P609	K248-T252 WeakPolarHBondContact O-CB 3.45Å; K248-T252 PolarHBondContact O-N 3.04Å; K248-T252 PolarHBondContact O-OG1 2.96Å; E249-T252 PolarHBondContact O-N 2.92Å; V250-T252 VanDerWaalsContact C-N 3.32Å; V250-T252 PolarHBondContact O-N 2.74Å; T252-A256 VanDerWaalsContact O-CB 3.22Å; T252-A256 WeakPolarHBondContact O-CB 3.35Å; T252-A256 PolarHBondContact O-N 2.97Å; T252-A256 VanDerWaalsContact O-N 3.08Å; T252-P609 HydrophobicContact CG2-CB 4.11Å
253	F	98	Very high	95.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.3	-51.7	175.2	165.5	-114.9	0	0	0	111.5	L244 E249 V250 S251 A256 V257 L556 V557 P609 L612 A613 L616	L244-F253 HydrophobicContact CD1-CB 3.65Å; L244-F253 HydrophobicContact CD1-CD1 3.93Å; L244-F253 HydrophobicContact CD1-CG 3.88Å; E249-F253 PolarHBondContact O-N 3.26Å; V250-F253 PolarHBondContact O-N 2.98Å; S251-F253 VanDerWaalsContact C-N 3.34Å; S251-F253 PolarHBondContact O-N 3.42Å; F253-A256 PolarHBondContact O-N 3.02Å; F253-V257 HydrophobicContact CD2-CG2 4.2Å; F253-V257 HydrophobicContact CE2-CG2 3.86Å; F253-V257 HydrophobicContact CZ-CG2 4.16Å; F253-V257 WeakPolarHBondContact O-CG2 3.47Å; F253-V257 PolarHBondContact O-N 2.87Å; F253-L556 HydrophobicContact CE1-CB 3.78Å; F253-L556 HydrophobicContact CZ-CB 3.83Å; F253-V557 HydrophobicContact CD1-CG2 3.95Å; F253-V557 HydrophobicContact CE1-CG2 3.64Å; F253-V557 HydrophobicContact CZ-CG2 4.16Å; F253-P609 HydrophobicContact CB-CB 3.96Å; F253-P609 WeakPolarHBondContact CD2-O 3.45Å; F253-L612 HydrophobicContact CD2-CB 3.84Å; F253-L612 HydrophobicContact CE2-CB 3.69Å; F253-A613 HydrophobicContact CD2-CB 4.11Å; F253-A613 HydrophobicContact CE2-CB 4.37Å; F253-L616 HydrophobicContact CE2-CD1 3.85Å; F253-L616 HydrophobicContact CZ-CD1 3.66Å
254	L	98.2	Very high	95.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.6	-41.5	-176.8	-65.8	174.9	0	0	0	112.4	V250 S251 V257 L258 A495 A498 L499 L556	V250-L254 HydrophobicContact CG1-CD1 3.81Å; V250-L254 HydrophobicContact CG1-CG 4.24Å; V250-L254 VanDerWaalsContact O-CG 3.31Å; V250-L254 WeakPolarHBondContact O-CG 3.48Å; V250-L254 PolarHBondContact O-N 3.37Å; S251-L254 PolarHBondContact O-N 3.28Å; L254-V257 PolarHBondContact O-N 3.1Å; L254-L258 VanDerWaalsContact O-CG 3.27Å; L254-L258 WeakPolarHBondContact O-CG 3.4Å; L254-L258 PolarHBondContact O-N 3.33Å; L254-A495 HydrophobicContact CD2-CB 4.27Å; L254-A498 HydrophobicContact CD1-CB 3.8Å; L254-A498 HydrophobicContact CD2-CB 3.75Å; L254-A498 HydrophobicContact CG-CB 4.46Å; L254-L499 HydrophobicContact CD1-CB 4.12Å; L254-L499 HydrophobicContact CD1-CD1 4.29Å; L254-L556 HydrophobicContact CD2-CD1 4.08Å
255	E	97.8	Very high	95.7	Very high	74 Å²	74	48.1 Å²	48.1	35%	0.346	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-42.7	175.4	-71.9	161.8	-166.1	0	0	110.8	S251 V257 L258 D259 R503	S251-E255 VanDerWaalsContact O-CB 3.23Å; S251-E255 WeakPolarHBondContact O-CB 3.26Å; S251-E255 WeakPolarHBondContact O-CG 3.4Å; S251-E255 PolarHBondContact O-N 3.44Å; S251-E255 PolarHBondContact OG-OE1 3.4Å; E255-V257 VanDerWaalsContact C-N 3.34Å; E255-V257 PolarHBondContact O-N 3.17Å; E255-L258 PolarHBondContact O-N 2.76Å; E255-D259 WeakPolarHBondContact O-CB 3.27Å; E255-D259 PolarHBondContact O-N 3.37Å; E255-R503 IonicContact OE1-NH2 3.42Å; E255-R503 PolarHBondContact OE1-NH2 3.16Å
256	A	97.6	Very high	95.9	Very high	18 Å²	18	44.4 Å²	44.4	15%	0.149	22%	0.224	C	C	.	.	H	α-helix	trans	-63.2	-37.9	175.2	0	0	0	0	0	112.8	T252 F253 S260 K610 A613	T252-A256 VanDerWaalsContact O-CB 3.22Å; T252-A256 WeakPolarHBondContact O-CB 3.35Å; T252-A256 PolarHBondContact O-N 2.97Å; T252-A256 VanDerWaalsContact O-N 3.08Å; F253-A256 PolarHBondContact O-N 3.02Å; A256-S260 VanDerWaalsContact O-CB 3.3Å; A256-S260 WeakPolarHBondContact O-CB 3.24Å; A256-S260 PolarHBondContact O-N 3.11Å; A256-S260 PolarHBondContact O-OG 2.9Å; A256-K610 HydrophobicContact CB-CG 4.49Å; A256-A613 HydrophobicContact CB-CB 3.65Å
257	V	97.6	Very high	95.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-51.7	172.5	170.2	0	0	0	0	110.1	F253 L254 E255 S260 V261 L491 A495 A613 L616	F253-V257 HydrophobicContact CD2-CG2 4.2Å; F253-V257 HydrophobicContact CE2-CG2 3.86Å; F253-V257 HydrophobicContact CZ-CG2 4.16Å; F253-V257 WeakPolarHBondContact O-CG2 3.47Å; F253-V257 PolarHBondContact O-N 2.87Å; L254-V257 PolarHBondContact O-N 3.1Å; E255-V257 VanDerWaalsContact C-N 3.34Å; E255-V257 PolarHBondContact O-N 3.17Å; V257-S260 PolarHBondContact O-N 3.03Å; V257-V261 WeakPolarHBondContact O-CG2 3.39Å; V257-V261 PolarHBondContact O-N 2.87Å; V257-L491 HydrophobicContact CG1-CD1 3.8Å; V257-L491 HydrophobicContact CG1-CD2 4.06Å; V257-L491 HydrophobicContact CG1-CG 3.65Å; V257-A495 HydrophobicContact CB-CB 4.48Å; V257-A495 HydrophobicContact CG1-CB 3.95Å; V257-A613 HydrophobicContact CG2-CB 3.68Å; V257-L616 HydrophobicContact CG2-CD1 3.98Å
258	L	97.6	Very high	95.8	Very high	6 Å²	6	47 Å²	47	3%	0.031	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-48.2	-177.5	-71.3	168.4	0	0	0	112.5	L254 E255 S260 V261 R262 A492 A495 L496 L499 A526 F528	L254-L258 VanDerWaalsContact O-CG 3.27Å; L254-L258 WeakPolarHBondContact O-CG 3.4Å; L254-L258 PolarHBondContact O-N 3.33Å; E255-L258 PolarHBondContact O-N 2.76Å; L258-S260 PolarHBondContact O-N 3.38Å; L258-V261 PolarHBondContact O-N 3.25Å; L258-R262 WeakPolarHBondContact O-CB 3.2Å; L258-R262 PolarHBondContact O-N 3.29Å; L258-R262 VanDerWaalsContact O-N 3.1Å; L258-A492 HydrophobicContact CD2-CB 4.47Å; L258-A495 HydrophobicContact CD2-CB 3.78Å; L258-A495 HydrophobicContact CG-CB 3.91Å; L258-L496 HydrophobicContact CD1-CD2 4.1Å; L258-L496 HydrophobicContact CD2-CD1 4.47Å; L258-L496 HydrophobicContact CD2-CD2 4.07Å; L258-L496 HydrophobicContact CD2-CG 3.76Å; L258-L499 HydrophobicContact CD1-CD2 4.05Å; L258-A526 HydrophobicContact CD1-CB 4.14Å; L258-F528 HydrophobicContact CD2-CE2 3.96Å
259	D	96.1	Very high	95.6	Very high	118 Å²	118	39.7 Å²	39.7	63%	0.631	20%	0.199	S	C	*	.	H	α-helix	trans	-56.5	-40.2	177.8	-76.7	-15.9	0	0	0	111.2	E255	E255-D259 WeakPolarHBondContact O-CB 3.27Å; E255-D259 PolarHBondContact O-N 3.37Å
260	S	94.3	Very high	95.4	Very high	61 Å²	61	42.9 Å²	42.9	43%	0.427	21%	0.214	S	C	.	.	H	α-helix	trans	-80.5	-29.3	-173.7	-56.4	0	0	0	0	114	A256 V257 L258 L617	A256-S260 VanDerWaalsContact O-CB 3.3Å; A256-S260 WeakPolarHBondContact O-CB 3.24Å; A256-S260 PolarHBondContact O-N 3.11Å; A256-S260 PolarHBondContact O-OG 2.9Å; V257-S260 PolarHBondContact O-N 3.03Å; L258-S260 PolarHBondContact O-N 3.38Å; S260-L617 VanDerWaalsContact CB-CD2 3.45Å
261	V	94.7	Very high	95.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-90.3	-9.6	177.1	-59.5	0	0	0	0	113.5	V257 L258 R264 S265 A488 L491 A492 L617 L620	V257-V261 WeakPolarHBondContact O-CG2 3.39Å; V257-V261 PolarHBondContact O-N 2.87Å; L258-V261 PolarHBondContact O-N 3.25Å; V261-R264 PolarHBondContact O-N 3.43Å; V261-S265 VanDerWaalsContact O-CB 3.27Å; V261-S265 WeakPolarHBondContact O-CB 3.16Å; V261-S265 PolarHBondContact O-N 3.16Å; V261-S265 PolarHBondContact O-OG 3.35Å; V261-A488 HydrophobicContact CB-CB 4.3Å; V261-L491 HydrophobicContact CG1-CB 4.44Å; V261-L491 HydrophobicContact CG1-CD2 3.68Å; V261-L491 HydrophobicContact CG1-CG 4.07Å; V261-A492 HydrophobicContact CG2-CB 3.78Å; V261-L617 HydrophobicContact CG1-CD2 3.44Å; V261-L617 VanDerWaalsContact CG1-CD2 3.44Å; V261-L620 HydrophobicContact CG1-CD1 4.06Å
262	R	95.1	Very high	94.9	Very high	103 Å²	103	45.6 Å²	45.6	39%	0.389	23%	0.226	S	C	.	.	H	α-helix	trans	-57	-58	-170.8	-171.5	174.1	-172.6	-108.5	-5.8	113.6	L258 R264 S265 M266 A526 G527 F528	L258-R262 WeakPolarHBondContact O-CB 3.2Å; L258-R262 PolarHBondContact O-N 3.29Å; L258-R262 VanDerWaalsContact O-N 3.1Å; R262-R264 VanDerWaalsContact C-N 3.27Å; R262-R264 PolarHBondContact O-N 2.94Å; R262-S265 WeakPolarHBondContact O-CB 3.38Å; R262-S265 PolarHBondContact O-N 3.23Å; R262-M266 WeakPolarHBondContact O-CG 3.45Å; R262-M266 PolarHBondContact O-N 3.32Å; R262-A526 PolarHBondContact NE-O 3.07Å; R262-G527 VanDerWaalsContact NH2-CA 3.34Å; R262-F528 HydrophobicContact CB-CZ 4.31Å; R262-F528 HydrophobicContact CG-CZ 4.22Å
263	D	94.1	Very high	94.6	Very high	110 Å²	110	46.7 Å²	46.7	59%	0.588	23%	0.228	S	C	*	.	H	α-helix	trans	-66.1	-34.1	-177	-69.4	-13	0	0	0	111.8	R267	D263-R267 WeakPolarHBondContact O-CG 3.46Å; D263-R267 PolarHBondContact O-N 2.96Å; D263-R267 PolarHBondContact O-NE 2.99Å
264	R	93.2	Very high	94.2	Very high	40 Å²	40	48.9 Å²	48.9	15%	0.151	25%	0.251	C	S	.	.	H	α-helix	trans	-67.5	-43.6	174.4	-174.4	174.3	175.1	147.4	12	112	V261 R262 M266 R267 D268 A488 L620 P621	V261-R264 PolarHBondContact O-N 3.43Å; R262-R264 VanDerWaalsContact C-N 3.27Å; R262-R264 PolarHBondContact O-N 2.94Å; R264-M266 VanDerWaalsContact C-N 3.33Å; R264-M266 PolarHBondContact O-N 3Å; R264-R267 PolarHBondContact O-N 3.28Å; R264-D268 WeakPolarHBondContact O-CB 3.19Å; R264-D268 PolarHBondContact O-N 2.94Å; R264-A488 HydrophobicContact CB-CB 4.09Å; R264-A488 HydrophobicContact CG-CB 3.71Å; R264-L620 VanDerWaalsContact CZ-CB 3.48Å; R264-P621 PolarHBondContact NH1-O 3.37Å; R264-P621 VanDerWaalsContact NH2-CD 3.27Å; R264-P621 PolarHBondContact NH2-O 2.82Å
265	S	94.1	Very high	93.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61.5	-40.4	177	-62.8	0	0	0	0	111.9	V261 R262 D268 I269 A488 L489	V261-S265 VanDerWaalsContact O-CB 3.27Å; V261-S265 WeakPolarHBondContact O-CB 3.16Å; V261-S265 PolarHBondContact O-N 3.16Å; V261-S265 PolarHBondContact O-OG 3.35Å; R262-S265 WeakPolarHBondContact O-CB 3.38Å; R262-S265 PolarHBondContact O-N 3.23Å; S265-D268 PolarHBondContact O-N 3.19Å; S265-I269 WeakPolarHBondContact O-CG1 3.48Å; S265-I269 PolarHBondContact O-N 3.48Å; S265-A488 PolarHBondContact OG-O 2.62Å; S265-L489 WeakPolarHBondContact O-CD2 3.27Å
266	M	93.1	Very high	93.4	Very high	61 Å²	61	49.3 Å²	49.3	30%	0.3	25%	0.252	S	S	.	.	H	α-helix	trans	-65.6	-42	176.2	-65.1	-61.5	143.6	0	0	111.8	R262 R264 I269 E270 G527 F528	R262-M266 WeakPolarHBondContact O-CG 3.45Å; R262-M266 PolarHBondContact O-N 3.32Å; R264-M266 VanDerWaalsContact C-N 3.33Å; R264-M266 PolarHBondContact O-N 3Å; M266-I269 WeakPolarHBondContact O-CB 3.29Å; M266-I269 PolarHBondContact O-N 2.69Å; M266-I269 HydrophobicContact SD-CD1 4.46Å; M266-E270 WeakPolarHBondContact O-CG 3.35Å; M266-E270 PolarHBondContact O-N 3.26Å; M266-G527 WeakPolarHBondContact CE-O 3.45Å; M266-F528 HydrophobicContact CE-CD1 3.28Å; M266-F528 HydrophobicContact CE-CE1 3.48Å; M266-F528 VanDerWaalsContact CE-CE1 3.48Å; M266-F528 HydrophobicContact CE-CG 4.33Å
267	R	92.5	Very high	92.5	Very high	95 Å²	95	59.1 Å²	59.1	36%	0.358	29%	0.285	S	S	.	.	H	α-helix	trans	-64.1	-41	174	-75.6	179.7	-72.3	175.4	4.7	112.7	D263 R264 I269 E270 I271 E623	D263-R267 WeakPolarHBondContact O-CG 3.46Å; D263-R267 PolarHBondContact O-N 2.96Å; D263-R267 PolarHBondContact O-NE 2.99Å; R264-R267 PolarHBondContact O-N 3.28Å; R267-I269 VanDerWaalsContact C-N 3.29Å; R267-I269 PolarHBondContact O-N 2.92Å; R267-E270 WeakPolarHBondContact O-CB 3.37Å; R267-E270 PolarHBondContact O-N 3.47Å; R267-I271 WeakPolarHBondContact O-CG1 3.34Å; R267-I271 PolarHBondContact O-N 3.21Å; R267-E623 IonicContact CZ-OE1 3.14Å; R267-E623 IonicContact CZ-OE2 2.79Å; R267-E623 IonicContact NH1-OE1 3.13Å; R267-E623 PolarHBondContact NH1-OE1 2.96Å; R267-E623 IonicContact NH1-OE2 3.66Å; R267-E623 PolarHBondContact NH1-OE2 3.5Å; R267-E623 IonicContact NH2-OE1 2.7Å; R267-E623 PolarHBondContact NH2-OE1 2.85Å; R267-E623 IonicContact NH2-OE2 3.58Å
268	D	92.6	Very high	91.6	Very high	13 Å²	13	66.3 Å²	66.3	7%	0.07	32%	0.324	C	S	.	.	H	α-helix	trans	-57.1	-44.9	174.3	-76.9	-14.8	0	0	0	110.3	R264 S265 I271 L272 F486 A488 L489	R264-D268 WeakPolarHBondContact O-CB 3.19Å; R264-D268 PolarHBondContact O-N 2.94Å; S265-D268 PolarHBondContact O-N 3.19Å; D268-I271 PolarHBondContact O-N 3.27Å; D268-L272 VanDerWaalsContact O-CG 3.28Å; D268-L272 WeakPolarHBondContact O-CG 3.46Å; D268-L272 PolarHBondContact O-N 3.49Å; D268-F486 HydrophobicContact CB-CD1 3.79Å; D268-F486 WeakPolarHBondContact OD2-CA 3.2Å; D268-A488 WeakPolarHBondContact OD2-CB 3.43Å; D268-L489 HydrophobicContact CB-CD1 4.19Å; D268-L489 HydrophobicContact CB-CD2 4.12Å; D268-L489 HydrophobicContact CB-CG 3.99Å
269	I	92.3	Very high	91	Very high	12 Å²	12	67.2 Å²	67.2	6%	0.062	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-46.4	174.7	-68.5	162.8	0	0	0	111.5	S265 M266 R267 I271 L272 E273 W288 L489 W531	S265-I269 WeakPolarHBondContact O-CG1 3.48Å; S265-I269 PolarHBondContact O-N 3.48Å; M266-I269 WeakPolarHBondContact O-CB 3.29Å; M266-I269 PolarHBondContact O-N 2.69Å; M266-I269 HydrophobicContact SD-CD1 4.46Å; R267-I269 VanDerWaalsContact C-N 3.29Å; R267-I269 PolarHBondContact O-N 2.92Å; I269-I271 VanDerWaalsContact C-N 3.27Å; I269-I271 PolarHBondContact O-N 3.49Å; I269-L272 PolarHBondContact O-N 3.01Å; I269-L272 VanDerWaalsContact O-N 3.1Å; I269-E273 HydrophobicContact CG2-CG 4.33Å; I269-E273 WeakPolarHBondContact O-CG 3.4Å; I269-E273 PolarHBondContact O-N 3.17Å; I269-W288 HydrophobicContact CD1-CH2 3.73Å; I269-W288 HydrophobicContact CD1-CZ2 3.53Å; I269-W288 HydrophobicContact CD1-CZ3 4.41Å; I269-W288 HydrophobicContact CG1-CD2 4.45Å; I269-W288 HydrophobicContact CG1-CH2 4.31Å; I269-W288 HydrophobicContact CG1-CZ2 3.83Å; I269-L489 HydrophobicContact CD1-CD2 4.09Å; I269-L489 HydrophobicContact CG1-CD2 3.83Å; I269-W531 HydrophobicContact CD1-CZ2 3.71Å
270	E	92.3	Very high	90.1	Very high	129 Å²	129	71.5 Å²	71.5	60%	0.603	34%	0.342	S	S	*	.	H	α-helix	trans	-57.8	-40.3	177.6	-71.2	173	-179.7	0	0	112	M266 R267 E273 G274	M266-E270 WeakPolarHBondContact O-CG 3.35Å; M266-E270 PolarHBondContact O-N 3.26Å; R267-E270 WeakPolarHBondContact O-CB 3.37Å; R267-E270 PolarHBondContact O-N 3.47Å; E270-E273 PolarHBondContact O-N 3.34Å; E270-G274 PolarHBondContact O-N 3.19Å
271	I	91.5	Very high	89.5	Confident	70 Å²	70	71.8 Å²	71.8	36%	0.359	35%	0.354	S	S	.	.	H	α-helix	trans	-62.9	-48.1	174.4	-67.8	166.5	0	0	0	110.3	R267 D268 I269 E273 G274 Y275 M299 F486	R267-I271 WeakPolarHBondContact O-CG1 3.34Å; R267-I271 PolarHBondContact O-N 3.21Å; D268-I271 PolarHBondContact O-N 3.27Å; I269-I271 VanDerWaalsContact C-N 3.27Å; I269-I271 PolarHBondContact O-N 3.49Å; I271-E273 VanDerWaalsContact C-N 3.31Å; I271-E273 PolarHBondContact O-N 3.46Å; I271-G274 PolarHBondContact O-N 3.05Å; I271-G274 VanDerWaalsContact O-N 3.08Å; I271-Y275 HydrophobicContact CG2-CD2 4.42Å; I271-Y275 HydrophobicContact CG2-CE2 4.02Å; I271-Y275 VanDerWaalsContact O-CD2 3.32Å; I271-Y275 WeakPolarHBondContact O-CD2 3.37Å; I271-M299 HydrophobicContact CG2-CE 3.5Å; I271-F486 HydrophobicContact CB-CE1 4.25Å; I271-F486 HydrophobicContact CG2-CE1 3.85Å; I271-F486 HydrophobicContact CG2-CZ 4.07Å
272	L	92	Very high	89	Confident	0 Å²	0	77 Å²	77	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-61.4	-38	179.3	-66.8	-177.6	0	0	0	112.3	D268 I269 G274 Y275 G276 W288 L291 A295 F486 L489	D268-L272 VanDerWaalsContact O-CG 3.28Å; D268-L272 WeakPolarHBondContact O-CG 3.46Å; D268-L272 PolarHBondContact O-N 3.49Å; I269-L272 PolarHBondContact O-N 3.01Å; I269-L272 VanDerWaalsContact O-N 3.1Å; L272-G274 PolarHBondContact O-N 3.21Å; L272-Y275 PolarHBondContact O-N 3.35Å; L272-G276 PolarHBondContact O-N 3.23Å; L272-W288 HydrophobicContact CD1-CB 3.96Å; L272-W288 HydrophobicContact CD1-CG 4.1Å; L272-L291 HydrophobicContact CB-CB 4.08Å; L272-L291 HydrophobicContact CB-CD1 4.25Å; L272-L291 HydrophobicContact CD2-CB 4.01Å; L272-L291 HydrophobicContact CG-CB 4.43Å; L272-A295 HydrophobicContact CD2-CB 3.91Å; L272-F486 HydrophobicContact CD2-CD1 4.22Å; L272-F486 HydrophobicContact CD2-CD2 4.11Å; L272-F486 HydrophobicContact CD2-CE1 3.87Å; L272-F486 HydrophobicContact CD2-CE2 3.76Å; L272-F486 HydrophobicContact CD2-CG 4.33Å; L272-F486 HydrophobicContact CD2-CZ 3.63Å; L272-F486 HydrophobicContact CG-CD1 4.35Å; L272-F486 HydrophobicContact CG-CE1 4.22Å; L272-F486 HydrophobicContact CG-CZ 4.46Å; L272-L489 HydrophobicContact CD1-CD1 3.78Å
273	E	91.5	Very high	88.8	Confident	70 Å²	70	72.3 Å²	72.3	33%	0.327	36%	0.36	S	S	.	.	H	α-helix	trans	-57.5	-36.6	174.1	-72.8	-172.3	156.7	0	0	112.1	I269 E270 I271 Y275 G276 K282 T283	I269-E273 HydrophobicContact CG2-CG 4.33Å; I269-E273 WeakPolarHBondContact O-CG 3.4Å; I269-E273 PolarHBondContact O-N 3.17Å; E270-E273 PolarHBondContact O-N 3.34Å; I271-E273 VanDerWaalsContact C-N 3.31Å; I271-E273 PolarHBondContact O-N 3.46Å; E273-Y275 VanDerWaalsContact C-N 3.26Å; E273-Y275 PolarHBondContact O-N 3.13Å; E273-G276 PolarHBondContact O-N 2.77Å; E273-G276 VanDerWaalsContact O-N 3.1Å; E273-K282 VanDerWaalsContact OE1-CG 3.26Å; E273-K282 WeakPolarHBondContact OE1-CG 3.42Å; E273-T283 HydrophobicContact CB-CG2 4.35Å; E273-T283 HydrophobicContact CG-CG2 3.64Å; E273-T283 WeakPolarHBondContact CG-OG1 3.27Å; E273-T283 PolarHBondContact OE1-N 2.98Å; E273-T283 PolarHBondContact OE1-OG1 3.49Å
274	G	90.8	Very high	88.7	Confident	46 Å²	46	70.5 Å²	70.5	47%	0.474	35%	0.347	S	S	.	.	H	α-helix	trans	-61.8	-29.2	174.7	0	0	0	0	0	114.6	E270 I271 L272	E270-G274 PolarHBondContact O-N 3.19Å; I271-G274 PolarHBondContact O-N 3.05Å; I271-G274 VanDerWaalsContact O-N 3.08Å; L272-G274 PolarHBondContact O-N 3.21Å
275	Y	90.5	Very high	88.7	Confident	76 Å²	76	69.6 Å²	69.6	30%	0.298	35%	0.346	S	S	.	.	H	α-helix	trans	-84.6	-21.4	175	-71.9	-81.2	0	0	0	112.9	I271 L272 E273 R277 V294 A295 S298 M299	I271-Y275 HydrophobicContact CG2-CD2 4.42Å; I271-Y275 HydrophobicContact CG2-CE2 4.02Å; I271-Y275 VanDerWaalsContact O-CD2 3.32Å; I271-Y275 WeakPolarHBondContact O-CD2 3.37Å; L272-Y275 PolarHBondContact O-N 3.35Å; E273-Y275 VanDerWaalsContact C-N 3.26Å; E273-Y275 PolarHBondContact O-N 3.13Å; Y275-R277 VanDerWaalsContact C-N 3.31Å; Y275-R277 PolarHBondContact O-N 3.35Å; Y275-R277 VanDerWaalsContact O-N 3.15Å; Y275-V294 HydrophobicContact CD1-CG1 4.23Å; Y275-A295 HydrophobicContact CD1-CB 4.33Å; Y275-A295 HydrophobicContact CD2-CB 3.47Å; Y275-A295 VanDerWaalsContact CD2-CB 3.47Å; Y275-A295 HydrophobicContact CE1-CB 4.41Å; Y275-A295 HydrophobicContact CE2-CB 3.56Å; Y275-A295 HydrophobicContact CG-CB 3.89Å; Y275-S298 VanDerWaalsContact CE1-CB 3.47Å; Y275-M299 HydrophobicContact CE2-CE 4.09Å; Y275-M299 WeakPolarHBondContact OH-CG 3.37Å
276	G	87.6	Confident	88.5	Confident	8 Å²	8	70.3 Å²	70.3	8%	0.082	35%	0.349	C	S	.	.			trans	-82.5	32.3	-176.4	0	0	0	0	0	116.1	L272 E273 N278 I279	L272-G276 PolarHBondContact O-N 3.23Å; E273-G276 PolarHBondContact O-N 2.77Å; E273-G276 VanDerWaalsContact O-N 3.1Å; G276-N278 PolarHBondContact O-N 3.36Å; G276-I279 VanDerWaalsContact O-CB 3.26Å; G276-I279 WeakPolarHBondContact O-CB 3.47Å; G276-I279 PolarHBondContact O-N 3.31Å
277	R	79.8	Confident	88.5	Confident	223 Å²	223	67.5 Å²	67.5	84%	0.842	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-22.2	-170.5	-61.9	-175.4	-171.8	176.6	1.9	116	Y275	Y275-R277 VanDerWaalsContact C-N 3.31Å; Y275-R277 PolarHBondContact O-N 3.35Å; Y275-R277 VanDerWaalsContact O-N 3.15Å
278	N	79.1	Confident	88.4	Confident	151 Å²	151	64.1 Å²	64.1	81%	0.807	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-7.5	177.1	-65.8	-21	0	0	0	113.4	G276	G276-N278 PolarHBondContact O-N 3.36Å
279	I	83.3	Confident	88.2	Confident	26 Å²	26	66.7 Å²	66.7	13%	0.133	34%	0.34	C	S	.	.	S	Bend	trans	-87.2	123.3	178.5	-57.3	169.3	0	0	0	107.6	P194 G276 G281 T283 D287 L291	P194-I279 HydrophobicContact CB-CG1 4.09Å; P194-I279 HydrophobicContact CG-CG1 3.71Å; G276-I279 VanDerWaalsContact O-CB 3.26Å; G276-I279 WeakPolarHBondContact O-CB 3.47Å; G276-I279 PolarHBondContact O-N 3.31Å; I279-G281 PolarHBondContact O-N 2.87Å; I279-T283 HydrophobicContact CD1-CG2 3.98Å; I279-D287 HydrophobicContact CD1-CB 4Å; I279-L291 HydrophobicContact CD1-CD1 3.93Å; I279-L291 HydrophobicContact CD1-CD2 4.13Å; I279-L291 HydrophobicContact CD1-CG 4.37Å
280	K	78.6	Confident	88	Confident	208 Å²	208	68.7 Å²	68.7	90%	0.904	35%	0.347	S	S	*	.			trans	-82.1	112.5	176.5	-68.3	-177.1	-178.8	177.5	0	109.3
281	G	80.7	Confident	88	Confident	67 Å²	67	62.7 Å²	62.7	69%	0.691	32%	0.319	S	S	*	.	S	Bend	trans	97.1	-156.6	176.9	0	0	0	0	0	113	I279	I279-G281 PolarHBondContact O-N 2.87Å
282	K	85.1	Confident	87.9	Confident	109 Å²	109	60 Å²	60	47%	0.474	31%	0.307	S	S	.	.	S	Bend	trans	-68.2	143.4	179.8	-165.4	178.4	176.3	162.2	0	110.4	E273 H284 D530	E273-K282 VanDerWaalsContact OE1-CG 3.26Å; E273-K282 WeakPolarHBondContact OE1-CG 3.42Å; K282-H284 PolarHBondContact O-CD2 2.9Å; K282-D530 IonicContact NZ-OD2 2.8Å; K282-D530 PolarHBondContact NZ-OD2 3.07Å
283	T	91	Very high	87.5	Confident	5 Å²	5	64.7 Å²	64.7	3%	0.031	33%	0.327	C	S	.	.			trans	-73.7	154.4	170.7	62.1	0	0	0	0	110.6	E273 I279 W288 L291	E273-T283 HydrophobicContact CB-CG2 4.35Å; E273-T283 HydrophobicContact CG-CG2 3.64Å; E273-T283 WeakPolarHBondContact CG-OG1 3.27Å; E273-T283 PolarHBondContact OE1-N 2.98Å; E273-T283 PolarHBondContact OE1-OG1 3.49Å; I279-T283 HydrophobicContact CD1-CG2 3.98Å; T283-W288 PolarHBondContact OG1-NE1 3.04Å; T283-L291 HydrophobicContact CG2-CD1 3.54Å
284	H	91.7	Very high	87.3	Confident	71 Å²	71	63.3 Å²	63.3	33%	0.329	32%	0.323	S	S	.	.			trans	-123.2	169.9	178	-67.8	-80.6	0	0	0	111.1	K282 W286 D287 W288	K282-H284 PolarHBondContact O-CD2 2.9Å; H284-W286 HydrophobicContact CB-CD2 3.64Å; H284-W286 HydrophobicContact CB-CE3 3.83Å; H284-W286 HydrophobicContact CB-CG 4.37Å; H284-W286 HydrophobicContact CB-CH2 3.52Å; H284-W286 HydrophobicContact CB-CZ2 3.32Å; H284-W286 HydrophobicContact CB-CZ3 3.78Å; H284-W286 AromaticContact CD2-CE2 3.97Å; H284-W286 AromaticContact CD2-CH2 3.61Å; H284-W286 AromaticContact CD2-CZ2 3.19Å; H284-W286 WeakPolarHBondContact CD2-CZ2 3.25Å; H284-W286 AromaticContact CG-CE2 3.88Å; H284-W286 AromaticContact CG-CH2 3.36Å; H284-W286 AromaticContact CG-CZ2 3.28Å; H284-W286 AromaticContact ND1-CH2 3.78Å; H284-W286 AromaticContact NE2-CZ2 3.99Å; H284-W286 PolarHBondContact O-N 3.45Å; H284-D287 PolarHBondContact N-OD2 3.45Å; H284-D287 WeakPolarHBondContact O-CA 3.4Å; H284-D287 WeakPolarHBondContact O-CB 3.14Å; H284-D287 PolarHBondContact O-N 3.34Å; H284-W288 PolarHBondContact O-N 2.82Å; H284-W288 PolarHBondContact O-NE1 3.45Å
285	V	92.1	Very high	87.2	Confident	21 Å²	21	61.1 Å²	61.1	13%	0.127	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-29.9	179	-66.9	0	0	0	0	114.8	Y201 D287 W288 P289 W531 P533	Y201-V285 HydrophobicContact CE1-CG2 3.95Å; Y201-V285 HydrophobicContact CE2-CG2 3.83Å; Y201-V285 VanDerWaalsContact CZ-CG2 3.49Å; Y201-V285 WeakPolarHBondContact OH-CG2 3.46Å; V285-D287 VanDerWaalsContact C-N 3.3Å; V285-W288 HydrophobicContact CB-CE3 4.47Å; V285-W288 HydrophobicContact CB-CH2 4.42Å; V285-W288 HydrophobicContact CB-CZ3 4.32Å; V285-W288 HydrophobicContact CG1-CE3 4.21Å; V285-W288 HydrophobicContact CG1-CH2 3.47Å; V285-W288 VanDerWaalsContact CG1-CH2 3.47Å; V285-W288 HydrophobicContact CG1-CZ2 4.07Å; V285-W288 HydrophobicContact CG1-CZ3 3.6Å; V285-P289 WeakPolarHBondContact O-CD 3.32Å; V285-W531 HydrophobicContact CG1-CB 3.85Å; V285-W531 HydrophobicContact CG1-CG 4.32Å; V285-W531 VanDerWaalsContact CG1-O 3.28Å; V285-W531 WeakPolarHBondContact CG1-O 3.48Å; V285-P533 HydrophobicContact CG2-CG 3.69Å
286	W	90.9	Very high	86.8	Confident	16 Å²	16	60.9 Å²	60.9	6%	0.061	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.1	177.7	59.1	71.5	0	0	0	113.7	R198 Y201 H284 P533	R198-W286 HydrophobicContact CB-CD2 4.35Å; R198-W286 HydrophobicContact CB-CG 4.49Å; R198-W286 HydrophobicContact CB-CZ2 4.26Å; R198-W286 HydrophobicContact CG-CD2 4.3Å; R198-W286 HydrophobicContact CG-CH2 4.2Å; R198-W286 HydrophobicContact CG-CZ2 3.65Å; Y201-W286 HydrophobicContact CD1-CB 4.45Å; Y201-W286 AromaticContact CD1-CE3 3.86Å; Y201-W286 HydrophobicContact CD1-CE3 3.86Å; Y201-W286 HydrophobicContact CD2-CB 3.7Å; Y201-W286 HydrophobicContact CE1-CE3 4.36Å; Y201-W286 HydrophobicContact CG-CB 3.64Å; Y201-W286 HydrophobicContact CG-CE3 4.2Å; H284-W286 HydrophobicContact CB-CD2 3.64Å; H284-W286 HydrophobicContact CB-CE3 3.83Å; H284-W286 HydrophobicContact CB-CG 4.37Å; H284-W286 HydrophobicContact CB-CH2 3.52Å; H284-W286 HydrophobicContact CB-CZ2 3.32Å; H284-W286 HydrophobicContact CB-CZ3 3.78Å; H284-W286 AromaticContact CD2-CE2 3.97Å; H284-W286 AromaticContact CD2-CH2 3.61Å; H284-W286 AromaticContact CD2-CZ2 3.19Å; H284-W286 WeakPolarHBondContact CD2-CZ2 3.25Å; H284-W286 AromaticContact CG-CE2 3.88Å; H284-W286 AromaticContact CG-CH2 3.36Å; H284-W286 AromaticContact CG-CZ2 3.28Å; H284-W286 AromaticContact ND1-CH2 3.78Å; H284-W286 AromaticContact NE2-CZ2 3.99Å; H284-W286 PolarHBondContact O-N 3.45Å; W286-P533 HydrophobicContact CE3-CG 4Å; W286-P533 HydrophobicContact CZ3-CB 3.74Å; W286-P533 HydrophobicContact CZ3-CG 3.49Å; W286-P533 VanDerWaalsContact CZ3-CG 3.49Å
287	D	93.1	Very high	86.5	Confident	1 Å²	1	65.3 Å²	65.3	1%	0.005	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-30.6	176.5	-60.1	-53.4	0	0	0	111.7	R197 I279 H284 V285 Y290 L291	R197-D287 IonicContact CZ-OD1 2.72Å; R197-D287 IonicContact NE-OD1 3.54Å; R197-D287 PolarHBondContact NE-OD1 2.91Å; R197-D287 IonicContact NH2-OD1 2.86Å; R197-D287 PolarHBondContact NH2-OD1 3.37Å; I279-D287 HydrophobicContact CD1-CB 4Å; H284-D287 PolarHBondContact N-OD2 3.45Å; H284-D287 WeakPolarHBondContact O-CA 3.4Å; H284-D287 WeakPolarHBondContact O-CB 3.14Å; H284-D287 PolarHBondContact O-N 3.34Å; V285-D287 VanDerWaalsContact C-N 3.3Å; D287-Y290 PolarHBondContact O-N 2.91Å; D287-L291 HydrophobicContact CB-CD1 3.75Å; D287-L291 HydrophobicContact CB-CG 4.26Å; D287-L291 WeakPolarHBondContact O-CB 2.8Å; D287-L291 VanDerWaalsContact O-CG 3.27Å; D287-L291 WeakPolarHBondContact O-CG 3.32Å; D287-L291 PolarHBondContact O-N 3.45Å
288	W	91.1	Very high	86.7	Confident	24 Å²	24	58.1 Å²	58.1	9%	0.091	30%	0.297	C	S	.	.	H	α-helix	trans	-61.2	-41.5	-170.5	-55.1	-20.3	0	0	0	114.9	I269 L272 T283 H284 V285 Y290 L291 S292 L489 W531	I269-W288 HydrophobicContact CD1-CH2 3.73Å; I269-W288 HydrophobicContact CD1-CZ2 3.53Å; I269-W288 HydrophobicContact CD1-CZ3 4.41Å; I269-W288 HydrophobicContact CG1-CD2 4.45Å; I269-W288 HydrophobicContact CG1-CH2 4.31Å; I269-W288 HydrophobicContact CG1-CZ2 3.83Å; L272-W288 HydrophobicContact CD1-CB 3.96Å; L272-W288 HydrophobicContact CD1-CG 4.1Å; T283-W288 PolarHBondContact OG1-NE1 3.04Å; H284-W288 PolarHBondContact O-N 2.82Å; H284-W288 PolarHBondContact O-NE1 3.45Å; V285-W288 HydrophobicContact CB-CE3 4.47Å; V285-W288 HydrophobicContact CB-CH2 4.42Å; V285-W288 HydrophobicContact CB-CZ3 4.32Å; V285-W288 HydrophobicContact CG1-CE3 4.21Å; V285-W288 HydrophobicContact CG1-CH2 3.47Å; V285-W288 VanDerWaalsContact CG1-CH2 3.47Å; V285-W288 HydrophobicContact CG1-CZ2 4.07Å; V285-W288 HydrophobicContact CG1-CZ3 3.6Å; W288-Y290 VanDerWaalsContact C-N 3.34Å; W288-Y290 PolarHBondContact O-N 3.1Å; W288-L291 PolarHBondContact O-N 2.87Å; W288-S292 WeakPolarHBondContact O-CB 3.3Å; W288-S292 PolarHBondContact O-N 3.29Å; W288-S292 PolarHBondContact O-OG 3.22Å; W288-L489 HydrophobicContact CE3-CD1 4.34Å; W288-W531 HydrophobicContact CH2-CB 4.3Å; W288-W531 AromaticContact CH2-CD1 3.45Å; W288-W531 VanDerWaalsContact CH2-CD1 3.45Å; W288-W531 AromaticContact CH2-CD2 3.44Å; W288-W531 HydrophobicContact CH2-CD2 3.44Å; W288-W531 VanDerWaalsContact CH2-CD2 3.44Å; W288-W531 AromaticContact CH2-CE2 3.29Å; W288-W531 HydrophobicContact CH2-CE3 4.19Å; W288-W531 AromaticContact CH2-CG 3.5Å; W288-W531 HydrophobicContact CH2-CG 3.5Å; W288-W531 VanDerWaalsContact CH2-CG 3.5Å; W288-W531 AromaticContact CH2-CZ2 3.93Å; W288-W531 HydrophobicContact CH2-CZ2 3.93Å; W288-W531 AromaticContact CH2-NE1 3.29Å; W288-W531 VanDerWaalsContact CH2-NE1 3.29Å; W288-W531 AromaticContact CZ3-CD2 3.58Å; W288-W531 HydrophobicContact CZ3-CD2 3.58Å; W288-W531 AromaticContact CZ3-CE2 3.58Å; W288-W531 AromaticContact CZ3-CE3 3.84Å; W288-W531 HydrophobicContact CZ3-CE3 3.84Å; W288-W531 HydrophobicContact CZ3-CG 4.06Å; W288-W531 HydrophobicContact CZ3-CH2 4.12Å; W288-W531 AromaticContact CZ3-CZ2 3.85Å; W288-W531 HydrophobicContact CZ3-CZ2 3.85Å; W288-W531 HydrophobicContact CZ3-CZ3 4.11Å
289	P	87.3	Confident	86.9	Confident	68 Å²	68	54.8 Å²	54.8	44%	0.442	28%	0.278	S	S	.	.	H	α-helix	trans	-57.4	-47.5	176.8	-26.3	35.7	0	0	0	112.4	V285 F293	V285-P289 WeakPolarHBondContact O-CD 3.32Å; P289-F293 PolarHBondContact O-N 3.49Å; P289-F293 VanDerWaalsContact O-N 3.13Å
290	Y	88.8	Confident	86.4	Confident	54 Å²	54	56.9 Å²	56.9	21%	0.212	29%	0.285	C	S	.	.	H	α-helix	trans	-64.7	-46.3	176.8	173.1	-99.1	0	0	0	112	D190 S192 D287 W288 F293 V294	D190-Y290 WeakPolarHBondContact O-CD2 3.26Å; S192-Y290 WeakPolarHBondContact CB-OH 3.34Å; D287-Y290 PolarHBondContact O-N 2.91Å; W288-Y290 VanDerWaalsContact C-N 3.34Å; W288-Y290 PolarHBondContact O-N 3.1Å; Y290-F293 WeakPolarHBondContact O-CB 3.4Å; Y290-F293 PolarHBondContact O-N 3.36Å; Y290-V294 HydrophobicContact CD1-CG2 4.28Å; Y290-V294 HydrophobicContact CD2-CG2 4.48Å; Y290-V294 HydrophobicContact CE1-CG2 3.76Å; Y290-V294 HydrophobicContact CE2-CG2 3.98Å; Y290-V294 WeakPolarHBondContact O-CG2 3.49Å; Y290-V294 PolarHBondContact O-N 3.08Å
291	L	91.8	Very high	86.2	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-66.6	-38.8	-179.2	-67.6	175.6	0	0	0	111.9	L272 I279 T283 D287 W288 F293 V294 A295	L272-L291 HydrophobicContact CB-CB 4.08Å; L272-L291 HydrophobicContact CB-CD1 4.25Å; L272-L291 HydrophobicContact CD2-CB 4.01Å; L272-L291 HydrophobicContact CG-CB 4.43Å; I279-L291 HydrophobicContact CD1-CD1 3.93Å; I279-L291 HydrophobicContact CD1-CD2 4.13Å; I279-L291 HydrophobicContact CD1-CG 4.37Å; T283-L291 HydrophobicContact CG2-CD1 3.54Å; D287-L291 HydrophobicContact CB-CD1 3.75Å; D287-L291 HydrophobicContact CB-CG 4.26Å; D287-L291 WeakPolarHBondContact O-CB 2.8Å; D287-L291 VanDerWaalsContact O-CG 3.27Å; D287-L291 WeakPolarHBondContact O-CG 3.32Å; D287-L291 PolarHBondContact O-N 3.45Å; W288-L291 PolarHBondContact O-N 2.87Å; L291-F293 VanDerWaalsContact C-N 3.31Å; L291-F293 PolarHBondContact O-N 3.43Å; L291-V294 PolarHBondContact O-N 2.86Å; L291-A295 WeakPolarHBondContact O-CB 3.48Å; L291-A295 PolarHBondContact O-N 3.24Å
292	S	88.5	Confident	85.7	Confident	14 Å²	14	50.3 Å²	50.3	10%	0.098	24%	0.244	C	C	.	.	H	α-helix	trans	-60.3	-42.7	174.2	-69.8	0	0	0	0	110.8	W288 A295 R296	W288-S292 WeakPolarHBondContact O-CB 3.3Å; W288-S292 PolarHBondContact O-N 3.29Å; W288-S292 PolarHBondContact O-OG 3.22Å; S292-A295 PolarHBondContact O-N 2.98Å; S292-R296 WeakPolarHBondContact O-CB 3.43Å; S292-R296 VanDerWaalsContact O-CG 3.23Å; S292-R296 WeakPolarHBondContact O-CG 3.18Å; S292-R296 PolarHBondContact O-N 3.18Å
293	F	84.2	Confident	84.9	Confident	99 Å²	99	50 Å²	50	43%	0.434	24%	0.244	S	C	.	.	H	α-helix	trans	-61	-48	173.3	175.1	-98.2	0	0	0	112.2	P289 Y290 L291 R297 I307	P289-F293 PolarHBondContact O-N 3.49Å; P289-F293 VanDerWaalsContact O-N 3.13Å; Y290-F293 WeakPolarHBondContact O-CB 3.4Å; Y290-F293 PolarHBondContact O-N 3.36Å; L291-F293 VanDerWaalsContact C-N 3.31Å; L291-F293 PolarHBondContact O-N 3.43Å; F293-R297 WeakPolarHBondContact O-CB 3.41Å; F293-R297 PolarHBondContact O-N 3.4Å; F293-I307 HydrophobicContact CE2-CD1 3.97Å; F293-I307 HydrophobicContact CZ-CD1 4.2Å
294	V	86.8	Confident	83.5	Confident	40 Å²	40	53.9 Å²	53.9	24%	0.242	27%	0.268	C	S	.	.	H	α-helix	trans	-62.7	-44.4	178.1	171.7	0	0	0	0	111.7	Y275 Y290 L291 R297 S298	Y275-V294 HydrophobicContact CD1-CG1 4.23Å; Y290-V294 HydrophobicContact CD1-CG2 4.28Å; Y290-V294 HydrophobicContact CD2-CG2 4.48Å; Y290-V294 HydrophobicContact CE1-CG2 3.76Å; Y290-V294 HydrophobicContact CE2-CG2 3.98Å; Y290-V294 WeakPolarHBondContact O-CG2 3.49Å; Y290-V294 PolarHBondContact O-N 3.08Å; L291-V294 PolarHBondContact O-N 2.86Å; V294-R297 PolarHBondContact O-N 3.04Å; V294-S298 PolarHBondContact O-N 3.35Å
295	A	89.1	Confident	82.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.6	-51.5	-179.4	0	0	0	0	0	110.8	L272 Y275 L291 S292 R297 S298 M299 F486	L272-A295 HydrophobicContact CD2-CB 3.91Å; Y275-A295 HydrophobicContact CD1-CB 4.33Å; Y275-A295 HydrophobicContact CD2-CB 3.47Å; Y275-A295 VanDerWaalsContact CD2-CB 3.47Å; Y275-A295 HydrophobicContact CE1-CB 4.41Å; Y275-A295 HydrophobicContact CE2-CB 3.56Å; Y275-A295 HydrophobicContact CG-CB 3.89Å; L291-A295 WeakPolarHBondContact O-CB 3.48Å; L291-A295 PolarHBondContact O-N 3.24Å; S292-A295 PolarHBondContact O-N 2.98Å; A295-R297 VanDerWaalsContact C-N 3.32Å; A295-R297 PolarHBondContact O-N 2.84Å; A295-S298 CarbonylContact O-C 3.39Å; A295-S298 PolarHBondContact O-N 3.1Å; A295-M299 WeakPolarHBondContact O-CB 3.34Å; A295-M299 VanDerWaalsContact O-CG 3.27Å; A295-M299 WeakPolarHBondContact O-CG 3.3Å; A295-M299 PolarHBondContact O-N 2.9Å; A295-F486 HydrophobicContact CB-CE2 3.68Å; A295-F486 HydrophobicContact CB-CZ 3.67Å
296	R	82.8	Confident	80.6	Confident	72 Å²	72	55.9 Å²	55.9	27%	0.272	29%	0.291	S	S	.	.	H	α-helix	trans	-55.9	-46.7	174.7	-72.9	174.9	-169.7	168.4	-1.6	111.1	S292 S298 M299 Y300 P481 G483 T485 F486	S292-R296 WeakPolarHBondContact O-CB 3.43Å; S292-R296 VanDerWaalsContact O-CG 3.23Å; S292-R296 WeakPolarHBondContact O-CG 3.18Å; S292-R296 PolarHBondContact O-N 3.18Å; R296-S298 VanDerWaalsContact C-N 3.26Å; R296-S298 PolarHBondContact O-N 2.83Å; R296-M299 PolarHBondContact O-N 2.83Å; R296-Y300 HydrophobicContact CB-CD2 4.48Å; R296-Y300 VanDerWaalsContact O-CD2 3.26Å; R296-Y300 WeakPolarHBondContact O-CD2 3.47Å; R296-Y300 PolarHBondContact O-N 3.1Å; R296-Y300 VanDerWaalsContact O-N 3.12Å; R296-P481 HydrophobicContact CB-CB 4.4Å; R296-P481 HydrophobicContact CB-CG 3.82Å; R296-P481 HydrophobicContact CG-CB 4.12Å; R296-P481 HydrophobicContact CG-CG 4.07Å; R296-G483 PolarHBondContact NH2-O 3.2Å; R296-T485 HydrophobicContact CG-CG2 4.26Å; R296-T485 PolarHBondContact NE-O 3.03Å; R296-T485 PolarHBondContact NH2-O 3.24Å; R296-F486 HydrophobicContact CG-CD2 4.45Å; R296-F486 HydrophobicContact CG-CE2 4.18Å
297	R	80.8	Confident	79.1	Confident	100 Å²	100	57.2 Å²	57.2	38%	0.377	30%	0.299	S	S	.	.	H	α-helix	trans	-57.6	-40.1	177.2	-172.2	179.6	171.6	176	-4.9	112.4	F293 V294 A295 N301 L302 I307	F293-R297 WeakPolarHBondContact O-CB 3.41Å; F293-R297 PolarHBondContact O-N 3.4Å; V294-R297 PolarHBondContact O-N 3.04Å; A295-R297 VanDerWaalsContact C-N 3.32Å; A295-R297 PolarHBondContact O-N 2.84Å; R297-N301 CarbonylContact O-C 3.42Å; R297-N301 WeakPolarHBondContact O-CA 3.4Å; R297-N301 PolarHBondContact O-N 2.84Å; R297-L302 HydrophobicContact CG-CB 4.28Å; R297-L302 VanDerWaalsContact CG-O 3.23Å; R297-L302 WeakPolarHBondContact CG-O 3.21Å; R297-L302 PolarHBondContact NE-O 2.82Å; R297-L302 PolarHBondContact O-N 3.06Å; R297-I307 HydrophobicContact CG-CD1 4.5Å
298	S	85.3	Confident	77.7	Confident	72 Å²	72	61 Å²	61	50%	0.503	32%	0.318	S	S	.	.	H	α-helix	trans	-76	-44	179.4	-174.4	0	0	0	0	113.5	Y275 V294 A295 R296 Y300 N301	Y275-S298 VanDerWaalsContact CE1-CB 3.47Å; V294-S298 PolarHBondContact O-N 3.35Å; A295-S298 CarbonylContact O-C 3.39Å; A295-S298 PolarHBondContact O-N 3.1Å; R296-S298 VanDerWaalsContact C-N 3.26Å; R296-S298 PolarHBondContact O-N 2.83Å; S298-Y300 VanDerWaalsContact C-N 3.33Å; S298-Y300 PolarHBondContact O-N 3.19Å; S298-N301 PolarHBondContact O-N 3.15Å
299	M	82.2	Confident	76.6	Confident	81 Å²	81	60.6 Å²	60.6	40%	0.399	32%	0.318	S	S	.	.	H	α-helix	trans	-62.4	-41.8	-177.4	-74	173	165.9	0	0	111.4	I271 Y275 A295 R296 T485 F486	I271-M299 HydrophobicContact CG2-CE 3.5Å; Y275-M299 HydrophobicContact CE2-CE 4.09Å; Y275-M299 WeakPolarHBondContact OH-CG 3.37Å; A295-M299 WeakPolarHBondContact O-CB 3.34Å; A295-M299 VanDerWaalsContact O-CG 3.27Å; A295-M299 WeakPolarHBondContact O-CG 3.3Å; A295-M299 PolarHBondContact O-N 2.9Å; R296-M299 PolarHBondContact O-N 2.83Å; M299-T485 HydrophobicContact SD-CG2 4.31Å; M299-F486 HydrophobicContact CE-CE1 4.46Å; M299-F486 HydrophobicContact CE-CZ 3.88Å; M299-F486 HydrophobicContact SD-CZ 4.12Å
300	Y	73	Confident	76	Confident	70 Å²	70	63 Å²	63	28%	0.275	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	9.4	-176.6	-58.3	-83	0	0	0	113	R296 S298 L302 P481 T485	R296-Y300 HydrophobicContact CB-CD2 4.48Å; R296-Y300 VanDerWaalsContact O-CD2 3.26Å; R296-Y300 WeakPolarHBondContact O-CD2 3.47Å; R296-Y300 PolarHBondContact O-N 3.1Å; R296-Y300 VanDerWaalsContact O-N 3.12Å; S298-Y300 VanDerWaalsContact C-N 3.33Å; S298-Y300 PolarHBondContact O-N 3.19Å; Y300-L302 PolarHBondContact O-N 2.96Å; Y300-P481 HydrophobicContact CD2-CB 3.65Å; Y300-P481 HydrophobicContact CD2-CG 3.49Å; Y300-P481 VanDerWaalsContact CD2-CG 3.49Å; Y300-P481 HydrophobicContact CE2-CB 3.36Å; Y300-P481 HydrophobicContact CE2-CG 3.78Å; Y300-P481 HydrophobicContact CG-CB 4.38Å; Y300-P481 HydrophobicContact CG-CG 4.12Å; Y300-T485 HydrophobicContact CE2-CG2 4.43Å; Y300-T485 PolarHBondContact OH-OG1 3.47Å; Y300-T485 VanDerWaalsContact OH-OG1 3.06Å
301	N	75	Confident	75.8	Confident	130 Å²	130	60.9 Å²	60.9	70%	0.695	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	40.8	-178.9	-170	37.7	0	0	0	113.5	R297 S298	R297-N301 CarbonylContact O-C 3.42Å; R297-N301 WeakPolarHBondContact O-CA 3.4Å; R297-N301 PolarHBondContact O-N 2.84Å; S298-N301 PolarHBondContact O-N 3.15Å
302	L	69.4	Low	75.5	Confident	7 Å²	7	63.9 Å²	63.9	4%	0.037	32%	0.322	C	S	.	.			trans	-78.5	131.8	-171.4	-54.7	169.4	0	0	0	111.3	R297 Y300 D306 I307 L479 P481	R297-L302 HydrophobicContact CG-CB 4.28Å; R297-L302 VanDerWaalsContact CG-O 3.23Å; R297-L302 WeakPolarHBondContact CG-O 3.21Å; R297-L302 PolarHBondContact NE-O 2.82Å; R297-L302 PolarHBondContact O-N 3.06Å; Y300-L302 PolarHBondContact O-N 2.96Å; L302-D306 HydrophobicContact CB-CB 4.45Å; L302-D306 HydrophobicContact CD2-CB 4.15Å; L302-I307 HydrophobicContact CB-CD1 4.14Å; L302-I307 HydrophobicContact CB-CG1 3.81Å; L302-I307 HydrophobicContact CD1-CD1 4.38Å; L302-I307 HydrophobicContact CD1-CG1 3.83Å; L302-I307 HydrophobicContact CG-CG1 4.38Å; L302-L479 WeakPolarHBondContact CD2-O 3.3Å; L302-P481 HydrophobicContact CD1-CG 3.77Å
303	Q	67.8	Low	75.6	Confident	103 Å²	103	63.4 Å²	63.4	48%	0.481	32%	0.319	S	S	.	.			trans	-82.1	158	158.3	-57.3	-58.3	-44.6	0	0	109.7	A305 D306 I307	Q303-A305 PolarHBondContact O-N 2.97Å; Q303-A305 VanDerWaalsContact O-N 3.12Å; Q303-D306 WeakPolarHBondContact CA-OD2 3.27Å; Q303-D306 VanDerWaalsContact CB-OD2 3.23Å; Q303-D306 WeakPolarHBondContact CB-OD2 3.32Å; Q303-D306 PolarHBondContact N-OD2 2.84Å; Q303-D306 WeakPolarHBondContact O-CA 3.32Å; Q303-D306 WeakPolarHBondContact O-CB 3.29Å; Q303-D306 PolarHBondContact O-N 3.25Å; Q303-I307 PolarHBondContact O-N 2.9Å
304	T	62.9	Low	75.7	Confident	87 Å²	87	62 Å²	62	53%	0.534	32%	0.316	S	S	.	.	H	α-helix	trans	-54.2	-34.5	175.9	-52.4	0	0	0	0	112	D306 I307 M308	T304-D306 VanDerWaalsContact C-N 3.31Å; T304-D306 PolarHBondContact O-N 3.03Å; T304-I307 PolarHBondContact O-N 3.07Å; T304-M308 PolarHBondContact O-N 2.98Å
305	A	62.8	Low	75.8	Confident	80 Å²	80	65.7 Å²	65.7	66%	0.661	33%	0.325	S	S	*	.	H	α-helix	trans	-67.4	-29	175.7	0	0	0	0	0	113.3	Q303	Q303-A305 PolarHBondContact O-N 2.97Å; Q303-A305 VanDerWaalsContact O-N 3.12Å
306	D	59.9	Low	75.8	Confident	54 Å²	54	65.7 Å²	65.7	29%	0.289	33%	0.325	S	S	.	.	H	α-helix	trans	-77.2	-31.7	178.9	-55.5	-41.2	0	0	0	111.5	L302 Q303 T304 V309	L302-D306 HydrophobicContact CB-CB 4.45Å; L302-D306 HydrophobicContact CD2-CB 4.15Å; Q303-D306 WeakPolarHBondContact CA-OD2 3.27Å; Q303-D306 VanDerWaalsContact CB-OD2 3.23Å; Q303-D306 WeakPolarHBondContact CB-OD2 3.32Å; Q303-D306 PolarHBondContact N-OD2 2.84Å; Q303-D306 WeakPolarHBondContact O-CA 3.32Å; Q303-D306 WeakPolarHBondContact O-CB 3.29Å; Q303-D306 PolarHBondContact O-N 3.25Å; T304-D306 VanDerWaalsContact C-N 3.31Å; T304-D306 PolarHBondContact O-N 3.03Å; D306-V309 WeakPolarHBondContact O-CG2 3.33Å
307	I	58.9	Low	76.3	Confident	43 Å²	43	63.7 Å²	63.7	22%	0.221	32%	0.32	C	S	.	.	H	α-helix	trans	-71.6	-40.5	177.3	-60.7	168.8	0	0	0	110.5	F293 R297 L302 Q303 T304 V309	F293-I307 HydrophobicContact CE2-CD1 3.97Å; F293-I307 HydrophobicContact CZ-CD1 4.2Å; R297-I307 HydrophobicContact CG-CD1 4.5Å; L302-I307 HydrophobicContact CB-CD1 4.14Å; L302-I307 HydrophobicContact CB-CG1 3.81Å; L302-I307 HydrophobicContact CD1-CD1 4.38Å; L302-I307 HydrophobicContact CD1-CG1 3.83Å; L302-I307 HydrophobicContact CG-CG1 4.38Å; Q303-I307 PolarHBondContact O-N 2.9Å; T304-I307 PolarHBondContact O-N 3.07Å; I307-V309 PolarHBondContact O-N 3.19Å
308	M	64.2	Low	76.8	Confident	82 Å²	82	62 Å²	62	40%	0.404	32%	0.323	S	S	.	.	S	Bend	trans	-87.9	62.4	-178.4	-67.6	-66.3	-138.1	0	0	110.4	T304 Y310 T414	T304-M308 PolarHBondContact O-N 2.98Å; M308-Y310 HydrophobicContact CB-CD2 4.26Å; M308-Y310 HydrophobicContact CB-CE1 4.44Å; M308-Y310 HydrophobicContact CB-CE2 3.52Å; M308-Y310 HydrophobicContact CG-CE2 4.49Å; M308-Y310 WeakPolarHBondContact O-CD2 3.45Å; M308-Y310 VanDerWaalsContact O-CE2 3.29Å; M308-Y310 WeakPolarHBondContact O-CE2 3.3Å; M308-Y310 PolarHBondContact O-N 2.8Å; M308-Y310 VanDerWaalsContact O-N 3.16Å; M308-T414 HydrophobicContact SD-CG2 4.06Å
309	V	66.5	Low	77.1	Confident	14 Å²	14	59.4 Å²	59.4	9%	0.085	30%	0.303	C	S	.	.			trans	-67.8	115.4	172.4	-172.5	0	0	0	0	108.4	D306 I307 L474 A476 M480	D306-V309 WeakPolarHBondContact O-CG2 3.33Å; I307-V309 PolarHBondContact O-N 3.19Å; V309-L474 HydrophobicContact CG1-CB 4.06Å; V309-L474 HydrophobicContact CG1-CD1 4.36Å; V309-L474 HydrophobicContact CG1-CD2 3.54Å; V309-L474 HydrophobicContact CG1-CG 4.17Å; V309-A476 HydrophobicContact CG2-CB 3.73Å; V309-M480 HydrophobicContact CG2-CE 4.22Å; V309-M480 HydrophobicContact CG2-CG 4.07Å; V309-M480 HydrophobicContact CG2-SD 4.12Å
310	Y	76.2	Confident	77.7	Confident	120 Å²	120	55.5 Å²	55.5	47%	0.471	28%	0.284	S	S	.	.			trans	-103.9	124.9	-175.1	-72.2	-63.1	0	0	0	111.4	M308 L413 T414	M308-Y310 HydrophobicContact CB-CD2 4.26Å; M308-Y310 HydrophobicContact CB-CE1 4.44Å; M308-Y310 HydrophobicContact CB-CE2 3.52Å; M308-Y310 HydrophobicContact CG-CE2 4.49Å; M308-Y310 WeakPolarHBondContact O-CD2 3.45Å; M308-Y310 VanDerWaalsContact O-CE2 3.29Å; M308-Y310 WeakPolarHBondContact O-CE2 3.3Å; M308-Y310 PolarHBondContact O-N 2.8Å; M308-Y310 VanDerWaalsContact O-N 3.16Å; Y310-L413 CarbonylContact C-O 3.47Å; Y310-L413 VanDerWaalsContact CA-O 3.32Å; Y310-L413 WeakPolarHBondContact CA-O 3.48Å; Y310-T414 HydrophobicContact CD1-CG2 4.19Å; Y310-T414 HydrophobicContact CE1-CG2 3.68Å
311	L	83.1	Confident	78.7	Confident	9 Å²	9	53.2 Å²	53.2	5%	0.047	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	122.6	171.5	178.3	57.2	0	0	0	109.9	L313 R315 F316 Y412 L413 L418 F472 L474	L311-L313 PolarHBondContact O-N 3.48Å; L311-R315 HydrophobicContact CD1-CB 4.37Å; L311-F316 HydrophobicContact CD2-CB 3.65Å; L311-F316 HydrophobicContact CD2-CD2 3.87Å; L311-F316 HydrophobicContact CD2-CG 4.19Å; L311-F316 HydrophobicContact CG-CB 3.94Å; L311-Y412 CarbonylContact O-C 3.6Å; L311-Y412 WeakPolarHBondContact O-CA 3.17Å; L311-L413 HydrophobicContact CB-CB 4.45Å; L311-L413 PolarHBondContact N-O 2.55Å; L311-L413 PolarHBondContact O-N 2.85Å; L311-L418 HydrophobicContact CD2-CD1 4.24Å; L311-L418 HydrophobicContact CD2-CD2 4.34Å; L311-F472 VanDerWaalsContact CD1-O 3.25Å; L311-F472 WeakPolarHBondContact CD1-O 3.41Å; L311-F472 HydrophobicContact CD2-CB 4.01Å; L311-F472 HydrophobicContact CD2-CD1 3.99Å; L311-F472 HydrophobicContact CD2-CG 4.21Å; L311-L474 HydrophobicContact CB-CD1 4.47Å; L311-L474 HydrophobicContact CB-CD2 3.87Å; L311-L474 HydrophobicContact CD1-CD2 4.25Å
312	R	87	Confident	79.7	Confident	64 Å²	64	52.3 Å²	52.3	24%	0.242	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	134	174.9	-70.1	178.5	61.5	-120.9	-11.5	110.6	D314 R315 F316 E409 T411 Y412	R312-D314 VanDerWaalsContact CB-OD1 3.25Å; R312-D314 WeakPolarHBondContact CB-OD1 3.47Å; R312-D314 IonicContact CZ-OD1 3.39Å; R312-D314 VanDerWaalsContact CZ-OD1 3.22Å; R312-D314 IonicContact CZ-OD2 3.14Å; R312-D314 IonicContact NE-OD1 3.21Å; R312-D314 IonicContact NH1-OD1 3.21Å; R312-D314 IonicContact NH1-OD2 3.67Å; R312-D314 PolarHBondContact NH1-OD2 3.49Å; R312-D314 IonicContact NH2-OD1 2.71Å; R312-D314 PolarHBondContact NH2-OD1 3.31Å; R312-D314 VanDerWaalsContact NH2-OD1 3.14Å; R312-D314 IonicContact NH2-OD2 3.57Å; R312-D314 PolarHBondContact NH2-OD2 2.88Å; R312-D314 PolarHBondContact O-N 2.86Å; R312-R315 HydrophobicContact CB-CB 4.47Å; R312-R315 HydrophobicContact CB-CG 4.36Å; R312-R315 PolarHBondContact O-N 3.04Å; R312-F316 PolarHBondContact O-N 2.99Å; R312-E409 PolarHBondContact NE-O 3.13Å; R312-E409 PolarHBondContact NH2-O 3.43Å; R312-T411 WeakPolarHBondContact CA-O 3.46Å; R312-Y412 HydrophobicContact CB-CD1 4.42Å; R312-Y412 HydrophobicContact CB-CE1 4.41Å; R312-Y412 HydrophobicContact CG-CD1 3.51Å; R312-Y412 HydrophobicContact CG-CE1 3.12Å; R312-Y412 HydrophobicContact CG-CE2 4.49Å; R312-Y412 HydrophobicContact CG-CG 4.38Å
313	L	89.6	Confident	80.9	Confident	5 Å²	5	52 Å²	52	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-60	-41.1	-173.9	178.9	61.4	0	0	0	112.8	L311 R315 F316 I317 W367 L403 T411 L413	L311-L313 PolarHBondContact O-N 3.48Å; L313-R315 VanDerWaalsContact C-N 3.35Å; L313-R315 PolarHBondContact O-N 3.03Å; L313-F316 HydrophobicContact CD1-CD1 4.19Å; L313-F316 WeakPolarHBondContact O-CB 3.19Å; L313-F316 PolarHBondContact O-N 3.37Å; L313-I317 HydrophobicContact CD1-CD1 4.28Å; L313-I317 HydrophobicContact CD1-CG1 4.42Å; L313-I317 HydrophobicContact CG-CD1 4.15Å; L313-I317 VanDerWaalsContact O-CG1 3.3Å; L313-I317 WeakPolarHBondContact O-CG1 3.43Å; L313-I317 PolarHBondContact O-N 2.88Å; L313-W367 HydrophobicContact CD1-CD2 4.18Å; L313-W367 HydrophobicContact CD1-CE3 3.79Å; L313-W367 HydrophobicContact CD1-CH2 3.89Å; L313-W367 HydrophobicContact CD1-CZ2 4.26Å; L313-W367 HydrophobicContact CD1-CZ3 3.63Å; L313-W367 HydrophobicContact CD2-CB 4.48Å; L313-W367 HydrophobicContact CD2-CD2 3.87Å; L313-W367 HydrophobicContact CD2-CE3 4.13Å; L313-W367 HydrophobicContact CD2-CG 4.02Å; L313-L403 HydrophobicContact CD2-CD1 4.34Å; L313-T411 HydrophobicContact CB-CG2 4.12Å; L313-T411 HydrophobicContact CD2-CG2 3.98Å; L313-T411 PolarHBondContact N-O 3.24Å; L313-L413 HydrophobicContact CD1-CD1 4.21Å; L313-L413 HydrophobicContact CD1-CD2 4.36Å; L313-L413 HydrophobicContact CD1-CG 4.44Å
314	D	86.8	Confident	82.2	Confident	70 Å²	70	47.3 Å²	47.3	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-61.1	-41.9	177.3	65.1	-33.2	0	0	0	112.4	R312 I317 S318	R312-D314 VanDerWaalsContact CB-OD1 3.25Å; R312-D314 WeakPolarHBondContact CB-OD1 3.47Å; R312-D314 IonicContact CZ-OD1 3.39Å; R312-D314 VanDerWaalsContact CZ-OD1 3.22Å; R312-D314 IonicContact CZ-OD2 3.14Å; R312-D314 IonicContact NE-OD1 3.21Å; R312-D314 IonicContact NH1-OD1 3.21Å; R312-D314 IonicContact NH1-OD2 3.67Å; R312-D314 PolarHBondContact NH1-OD2 3.49Å; R312-D314 IonicContact NH2-OD1 2.71Å; R312-D314 PolarHBondContact NH2-OD1 3.31Å; R312-D314 VanDerWaalsContact NH2-OD1 3.14Å; R312-D314 IonicContact NH2-OD2 3.57Å; R312-D314 PolarHBondContact NH2-OD2 2.88Å; R312-D314 PolarHBondContact O-N 2.86Å; D314-I317 PolarHBondContact O-N 3.5Å; D314-S318 PolarHBondContact O-N 3.48Å
315	R	87.6	Confident	83.8	Confident	117 Å²	117	48.3 Å²	48.3	44%	0.442	24%	0.244	S	C	.	.	H	α-helix	trans	-67.5	-42.9	175.5	-67.5	-168	175.4	-157.2	1.4	111.7	L311 R312 L313 I317 S318 N319	L311-R315 HydrophobicContact CD1-CB 4.37Å; R312-R315 HydrophobicContact CB-CB 4.47Å; R312-R315 HydrophobicContact CB-CG 4.36Å; R312-R315 PolarHBondContact O-N 3.04Å; L313-R315 VanDerWaalsContact C-N 3.35Å; L313-R315 PolarHBondContact O-N 3.03Å; R315-I317 VanDerWaalsContact C-N 3.3Å; R315-I317 PolarHBondContact O-N 3.22Å; R315-S318 PolarHBondContact O-N 3.21Å; R315-N319 WeakPolarHBondContact O-CB 3.47Å; R315-N319 PolarHBondContact O-N 3.43Å; R315-N319 PolarHBondContact O-ND2 3.48Å; R315-N319 PolarHBondContact O-OD1 2.9Å
316	F	90.9	Very high	85.4	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-52.6	-49.8	174.1	166.2	-104.4	0	0	0	111.3	L311 R312 L313 S318 N319 L320 L413 L418 V421 L422 F472	L311-F316 HydrophobicContact CD2-CB 3.65Å; L311-F316 HydrophobicContact CD2-CD2 3.87Å; L311-F316 HydrophobicContact CD2-CG 4.19Å; L311-F316 HydrophobicContact CG-CB 3.94Å; R312-F316 PolarHBondContact O-N 2.99Å; L313-F316 HydrophobicContact CD1-CD1 4.19Å; L313-F316 WeakPolarHBondContact O-CB 3.19Å; L313-F316 PolarHBondContact O-N 3.37Å; F316-S318 PolarHBondContact O-N 3.22Å; F316-N319 PolarHBondContact O-N 3.41Å; F316-L320 HydrophobicContact CE1-CD2 4.02Å; F316-L320 HydrophobicContact CE2-CB 4.31Å; F316-L320 HydrophobicContact CZ-CB 4.24Å; F316-L320 HydrophobicContact CZ-CD1 4.49Å; F316-L320 HydrophobicContact CZ-CD2 3.78Å; F316-L320 HydrophobicContact CZ-CG 4.39Å; F316-L320 VanDerWaalsContact O-CB 3.25Å; F316-L320 WeakPolarHBondContact O-CB 3.26Å; F316-L320 PolarHBondContact O-N 2.85Å; F316-L413 HydrophobicContact CB-CD1 3.99Å; F316-L413 HydrophobicContact CD1-CD1 3.94Å; F316-L413 HydrophobicContact CD2-CD1 4.28Å; F316-L413 HydrophobicContact CG-CD1 3.77Å; F316-L418 HydrophobicContact CD2-CD1 3.44Å; F316-L418 VanDerWaalsContact CD2-CD1 3.44Å; F316-L418 HydrophobicContact CE2-CD1 3.29Å; F316-L418 HydrophobicContact CZ-CD1 4.28Å; F316-V421 HydrophobicContact CD1-CG1 4.48Å; F316-V421 HydrophobicContact CE1-CG1 3.42Å; F316-V421 VanDerWaalsContact CE1-CG1 3.42Å; F316-V421 HydrophobicContact CZ-CB 4.36Å; F316-V421 HydrophobicContact CZ-CG1 3.43Å; F316-V421 VanDerWaalsContact CZ-CG1 3.43Å; F316-L422 HydrophobicContact CE2-CD2 4.31Å; F316-L422 HydrophobicContact CE2-CG 4.48Å; F316-L422 HydrophobicContact CZ-CD2 4.48Å; F316-F472 HydrophobicContact CD2-CD1 4.2Å; F316-F472 AromaticContact CD2-CE1 3.87Å; F316-F472 HydrophobicContact CD2-CE1 3.87Å; F316-F472 AromaticContact CE2-CE1 3.98Å; F316-F472 HydrophobicContact CE2-CE1 3.98Å; F316-F472 HydrophobicContact CE2-CZ 4.43Å
317	I	91.7	Very high	87.1	Confident	30 Å²	30	46.9 Å²	46.9	15%	0.154	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-44.8	-177.7	-64.1	165.5	0	0	0	111.1	L313 D314 R315 L320 S321 W350 W367	L313-I317 HydrophobicContact CD1-CD1 4.28Å; L313-I317 HydrophobicContact CD1-CG1 4.42Å; L313-I317 HydrophobicContact CG-CD1 4.15Å; L313-I317 VanDerWaalsContact O-CG1 3.3Å; L313-I317 WeakPolarHBondContact O-CG1 3.43Å; L313-I317 PolarHBondContact O-N 2.88Å; D314-I317 PolarHBondContact O-N 3.5Å; R315-I317 VanDerWaalsContact C-N 3.3Å; R315-I317 PolarHBondContact O-N 3.22Å; I317-L320 PolarHBondContact O-N 3.28Å; I317-S321 PolarHBondContact O-N 3.02Å; I317-W350 HydrophobicContact CB-CZ2 4.41Å; I317-W350 HydrophobicContact CD1-CZ2 3.78Å; I317-W350 HydrophobicContact CG1-CH2 4.15Å; I317-W350 HydrophobicContact CG1-CZ2 3.68Å; I317-W350 HydrophobicContact CG2-CH2 4.49Å; I317-W350 HydrophobicContact CG2-CZ2 3.87Å; I317-W367 HydrophobicContact CD1-CZ2 4.3Å
318	S	91.2	Very high	88.9	Confident	63 Å²	63	44.9 Å²	44.9	44%	0.441	21%	0.211	S	C	.	.	H	α-helix	trans	-59.3	-48.1	176.6	-169.3	0	0	0	0	111.4	D314 R315 F316 S321 E322	D314-S318 PolarHBondContact O-N 3.48Å; R315-S318 PolarHBondContact O-N 3.21Å; F316-S318 PolarHBondContact O-N 3.22Å; S318-S321 WeakPolarHBondContact O-CB 3.4Å; S318-S321 PolarHBondContact O-N 2.95Å; S318-E322 PolarHBondContact O-N 3.2Å; S318-E322 VanDerWaalsContact O-N 3.13Å
319	N	92.5	Very high	90.5	Very high	18 Å²	18	41 Å²	41	10%	0.096	19%	0.192	C	C	.	.	H	α-helix	trans	-72.7	-33.1	-175.1	-59.2	-4.3	0	0	0	111.7	R315 F316 E322 L323 T471 F472	R315-N319 WeakPolarHBondContact O-CB 3.47Å; R315-N319 PolarHBondContact O-N 3.43Å; R315-N319 PolarHBondContact O-ND2 3.48Å; R315-N319 PolarHBondContact O-OD1 2.9Å; F316-N319 PolarHBondContact O-N 3.41Å; N319-E322 PolarHBondContact O-N 2.64Å; N319-L323 WeakPolarHBondContact O-CB 3.43Å; N319-L323 PolarHBondContact O-N 3.46Å; N319-T471 HydrophobicContact CB-CG2 4.15Å; N319-T471 VanDerWaalsContact CB-O 3.27Å; N319-T471 WeakPolarHBondContact CB-O 3.46Å; N319-T471 PolarHBondContact ND2-O 3.31Å; N319-F472 HydrophobicContact CB-CD1 4.18Å; N319-F472 HydrophobicContact CB-CE1 4.46Å
320	L	94.6	Very high	92	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.3	-45.6	170.2	177.9	66.8	0	0	0	110.6	F316 I317 E322 L323 L324 I332 W350 L422 I425	F316-L320 HydrophobicContact CE1-CD2 4.02Å; F316-L320 HydrophobicContact CE2-CB 4.31Å; F316-L320 HydrophobicContact CZ-CB 4.24Å; F316-L320 HydrophobicContact CZ-CD1 4.49Å; F316-L320 HydrophobicContact CZ-CD2 3.78Å; F316-L320 HydrophobicContact CZ-CG 4.39Å; F316-L320 VanDerWaalsContact O-CB 3.25Å; F316-L320 WeakPolarHBondContact O-CB 3.26Å; F316-L320 PolarHBondContact O-N 2.85Å; I317-L320 PolarHBondContact O-N 3.28Å; L320-E322 VanDerWaalsContact C-N 3.32Å; L320-E322 PolarHBondContact O-N 2.86Å; L320-L323 PolarHBondContact O-N 2.72Å; L320-L324 HydrophobicContact CD1-CD1 4.04Å; L320-L324 HydrophobicContact CD1-CD2 4.35Å; L320-L324 HydrophobicContact CD1-CG 3.99Å; L320-L324 HydrophobicContact CD2-CD1 4.5Å; L320-L324 HydrophobicContact CG-CD1 3.93Å; L320-L324 HydrophobicContact CG-CG 4.24Å; L320-L324 WeakPolarHBondContact O-CB 3.26Å; L320-L324 VanDerWaalsContact O-CG 3.25Å; L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 2.85Å; L320-I332 HydrophobicContact CD2-CD1 3.77Å; L320-I332 HydrophobicContact CG-CD1 3.94Å; L320-W350 HydrophobicContact CD2-CZ3 4.45Å; L320-L422 HydrophobicContact CD1-CD2 3.95Å; L320-I425 HydrophobicContact CD1-CG2 4.47Å; L320-I425 HydrophobicContact CD2-CD1 4Å; L320-I425 HydrophobicContact CD2-CG1 4.15Å
321	S	95.2	Very high	93	Very high	22 Å²	22	35.6 Å²	35.6	15%	0.154	17%	0.173	C	C	.	.	H	α-helix	trans	-59	-43.2	177.8	-165	0	0	0	0	111.8	I317 S318 K325 I332	I317-S321 PolarHBondContact O-N 3.02Å; S318-S321 WeakPolarHBondContact O-CB 3.4Å; S318-S321 PolarHBondContact O-N 2.95Å; S321-K325 WeakPolarHBondContact O-CB 3.44Å; S321-K325 PolarHBondContact O-N 2.97Å; S321-I332 PolarHBondContact OG-N 3.19Å; S321-I332 PolarHBondContact OG-O 3.46Å
322	E	94.2	Very high	93.7	Very high	111 Å²	111	36 Å²	36	52%	0.519	17%	0.174	S	C	.	.	H	α-helix	trans	-62.8	-46.3	175	-70	177.9	-178.6	0	0	112.3	S318 N319 L320 L324 K325 E326	S318-E322 PolarHBondContact O-N 3.2Å; S318-E322 VanDerWaalsContact O-N 3.13Å; N319-E322 PolarHBondContact O-N 2.64Å; L320-E322 VanDerWaalsContact C-N 3.32Å; L320-E322 PolarHBondContact O-N 2.86Å; E322-L324 PolarHBondContact O-N 3.49Å; E322-K325 WeakPolarHBondContact O-CB 3.37Å; E322-K325 PolarHBondContact O-N 3.34Å; E322-E326 PolarHBondContact O-N 3.49Å
323	L	94.7	Very high	94.2	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-59.5	-47.7	177.3	178	61.6	0	0	0	112	N319 L320 K325 E326 L327 W461 T471 F472 T575	N319-L323 WeakPolarHBondContact O-CB 3.43Å; N319-L323 PolarHBondContact O-N 3.46Å; L320-L323 PolarHBondContact O-N 2.72Å; L323-K325 VanDerWaalsContact C-N 3.25Å; L323-K325 PolarHBondContact O-N 2.97Å; L323-E326 PolarHBondContact O-N 3.27Å; L323-L327 HydrophobicContact CD1-CD1 3.74Å; L323-L327 HydrophobicContact CD1-CG 4.08Å; L323-L327 HydrophobicContact CD2-CD1 4.47Å; L323-L327 HydrophobicContact CG-CD1 3.8Å; L323-L327 HydrophobicContact CG-CG 4.47Å; L323-L327 WeakPolarHBondContact O-CB 3.45Å; L323-L327 WeakPolarHBondContact O-CG 3.34Å; L323-L327 PolarHBondContact O-N 3.03Å; L323-W461 HydrophobicContact CD2-CB 4.3Å; L323-W461 HydrophobicContact CD2-CG 3.95Å; L323-T471 HydrophobicContact CB-CG2 4.15Å; L323-F472 HydrophobicContact CD2-CZ 4.26Å; L323-T575 HydrophobicContact CD1-CG2 4.09Å
324	L	96.5	Very high	94.4	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	21%	0.207	C	C	.	.	H	α-helix	trans	-67	-29.7	179.8	-63.8	179.1	0	0	0	112	L320 E322 Y328 G329 I330 I332 L429 M458	L320-L324 HydrophobicContact CD1-CD1 4.04Å; L320-L324 HydrophobicContact CD1-CD2 4.35Å; L320-L324 HydrophobicContact CD1-CG 3.99Å; L320-L324 HydrophobicContact CD2-CD1 4.5Å; L320-L324 HydrophobicContact CG-CD1 3.93Å; L320-L324 HydrophobicContact CG-CG 4.24Å; L320-L324 WeakPolarHBondContact O-CB 3.26Å; L320-L324 VanDerWaalsContact O-CG 3.25Å; L320-L324 WeakPolarHBondContact O-CG 3.47Å; L320-L324 PolarHBondContact O-N 2.85Å; E322-L324 PolarHBondContact O-N 3.49Å; L324-Y328 HydrophobicContact CD2-CD2 3.67Å; L324-Y328 HydrophobicContact CD2-CE2 3.75Å; L324-Y328 WeakPolarHBondContact O-CA 3.25Å; L324-Y328 WeakPolarHBondContact O-CB 3.47Å; L324-Y328 PolarHBondContact O-N 3.47Å; L324-G329 PolarHBondContact O-N 3.06Å; L324-I330 CarbonylContact C-O 3.08Å; L324-I330 HydrophobicContact CB-CD1 4.07Å; L324-I330 HydrophobicContact CB-CG1 3.7Å; L324-I330 HydrophobicContact CD1-CD1 4.26Å; L324-I330 PolarHBondContact O-N 3.37Å; L324-I332 HydrophobicContact CD1-CD1 3.94Å; L324-I332 HydrophobicContact CD1-CG1 4.27Å; L324-L429 HydrophobicContact CD1-CD2 4.41Å; L324-L429 HydrophobicContact CD2-CD1 3.78Å; L324-M458 HydrophobicContact CD2-CE 4.28Å
325	K	96.5	Very high	94.8	Very high	108 Å²	108	41.3 Å²	41.3	47%	0.47	20%	0.203	S	C	.	.	H	α-helix	trans	-65.8	-46	171.3	-173.4	179.1	-179.6	177.7	0	111.1	S321 E322 L323 G329 I330 R577	S321-K325 WeakPolarHBondContact O-CB 3.44Å; S321-K325 PolarHBondContact O-N 2.97Å; E322-K325 WeakPolarHBondContact O-CB 3.37Å; E322-K325 PolarHBondContact O-N 3.34Å; L323-K325 VanDerWaalsContact C-N 3.25Å; L323-K325 PolarHBondContact O-N 2.97Å; K325-G329 WeakPolarHBondContact O-CA 3.45Å; K325-G329 PolarHBondContact O-N 3.03Å; K325-G329 VanDerWaalsContact O-N 3.07Å; K325-I330 WeakPolarHBondContact CA-O 3.42Å; K325-I330 WeakPolarHBondContact CB-O 3.33Å; K325-I330 PolarHBondContact N-O 3.18Å; K325-R577 PolarHBondContact O-NH1 3.12Å
326	E	94.9	Very high	95	Very high	104 Å²	104	43.7 Å²	43.7	49%	0.486	22%	0.219	S	C	.	.	H	α-helix	trans	-67.3	-34.4	177.9	-71	-171.4	172.7	0	0	113.3	E322 L323 T575 R577	E322-E326 PolarHBondContact O-N 3.49Å; L323-E326 PolarHBondContact O-N 3.27Å; E326-T575 WeakPolarHBondContact OE2-CB 3.43Å; E326-T575 WeakPolarHBondContact OE2-CG2 3.4Å; E326-R577 WeakPolarHBondContact O-CB 3.19Å; E326-R577 WeakPolarHBondContact O-CD 3.44Å
327	L	95.9	Very high	95.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-84.3	-50.8	-179.1	-72.3	173	0	0	0	113.2	L323 W461 F570 P574 G580	L323-L327 HydrophobicContact CD1-CD1 3.74Å; L323-L327 HydrophobicContact CD1-CG 4.08Å; L323-L327 HydrophobicContact CD2-CD1 4.47Å; L323-L327 HydrophobicContact CG-CD1 3.8Å; L323-L327 HydrophobicContact CG-CG 4.47Å; L323-L327 WeakPolarHBondContact O-CB 3.45Å; L323-L327 WeakPolarHBondContact O-CG 3.34Å; L323-L327 PolarHBondContact O-N 3.03Å; L327-W461 HydrophobicContact CD1-CD2 4.5Å; L327-W461 HydrophobicContact CD1-CH2 4.09Å; L327-W461 HydrophobicContact CD1-CZ2 3.42Å; L327-W461 VanDerWaalsContact CD1-CZ2 3.42Å; L327-W461 HydrophobicContact CD2-CZ2 3.8Å; L327-W461 HydrophobicContact CG-CZ2 4.26Å; L327-F570 HydrophobicContact CD2-CD1 4.24Å; L327-F570 HydrophobicContact CD2-CE1 3.7Å; L327-F570 HydrophobicContact CD2-CZ 4.44Å; L327-P574 WeakPolarHBondContact CD2-O 3.25Å; L327-G580 CarbonylContact O-C 3.56Å; L327-G580 WeakPolarHBondContact O-CA 3.11Å
328	Y	97.1	Very high	95.3	Very high	1 Å²	1	48 Å²	48	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-118.4	-4.5	-163.5	-56.5	-55.2	0	0	0	113.1	L324 I330 L429 F433 M458 G580 R584	L324-Y328 HydrophobicContact CD2-CD2 3.67Å; L324-Y328 HydrophobicContact CD2-CE2 3.75Å; L324-Y328 WeakPolarHBondContact O-CA 3.25Å; L324-Y328 WeakPolarHBondContact O-CB 3.47Å; L324-Y328 PolarHBondContact O-N 3.47Å; Y328-I330 VanDerWaalsContact C-N 3.34Å; Y328-L429 HydrophobicContact CD2-CD1 4.38Å; Y328-L429 HydrophobicContact CE2-CD1 3.93Å; Y328-F433 HydrophobicContact CD1-CE2 4.19Å; Y328-F433 HydrophobicContact CD1-CZ 4.23Å; Y328-F433 HydrophobicContact CD2-CE2 4.33Å; Y328-F433 AromaticContact CD2-CZ 3.99Å; Y328-F433 HydrophobicContact CD2-CZ 3.99Å; Y328-F433 HydrophobicContact CE1-CE2 4.45Å; Y328-F433 HydrophobicContact CG-CE2 4.13Å; Y328-F433 AromaticContact CG-CZ 3.75Å; Y328-F433 HydrophobicContact CG-CZ 3.75Å; Y328-M458 HydrophobicContact CE2-SD 4.26Å; Y328-G580 VanDerWaalsContact CD1-O 3.26Å; Y328-G580 WeakPolarHBondContact CD1-O 3.44Å; Y328-G580 WeakPolarHBondContact CE1-O 3.4Å; Y328-R584 HydrophobicContact CD1-CB 4.05Å; Y328-R584 PolarHBondContact O-NH1 3.5Å
329	G	97.5	Very high	95.3	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.01	24%	0.242	C	C	.	.	S	Bend	trans	64.2	40.1	-176.2	0	0	0	0	0	112.6	L324 K325 D354 E355	L324-G329 PolarHBondContact O-N 3.06Å; K325-G329 WeakPolarHBondContact O-CA 3.45Å; K325-G329 PolarHBondContact O-N 3.03Å; K325-G329 VanDerWaalsContact O-N 3.07Å; G329-D354 VanDerWaalsContact O-CA 3.3Å; G329-D354 WeakPolarHBondContact O-CA 3.46Å; G329-E355 PolarHBondContact O-N 3.38Å; G329-E355 VanDerWaalsContact O-N 3.16Å
330	I	97.9	Very high	95.3	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152.2	178.1	70	178.7	0	0	0	110.9	L324 K325 Y328 I352 E353 L360 L429 F433	L324-I330 CarbonylContact C-O 3.08Å; L324-I330 HydrophobicContact CB-CD1 4.07Å; L324-I330 HydrophobicContact CB-CG1 3.7Å; L324-I330 HydrophobicContact CD1-CD1 4.26Å; L324-I330 PolarHBondContact O-N 3.37Å; K325-I330 WeakPolarHBondContact CA-O 3.42Å; K325-I330 WeakPolarHBondContact CB-O 3.33Å; K325-I330 PolarHBondContact N-O 3.18Å; Y328-I330 VanDerWaalsContact C-N 3.34Å; I330-I352 HydrophobicContact CB-CG2 4.21Å; I330-I352 HydrophobicContact CD1-CG2 4.04Å; I330-I352 HydrophobicContact CG1-CG2 4.49Å; I330-E353 CarbonylContact C-O 3.57Å; I330-E353 WeakPolarHBondContact CA-O 3.39Å; I330-E353 WeakPolarHBondContact CB-O 3.46Å; I330-L360 HydrophobicContact CB-CD1 4.35Å; I330-L360 HydrophobicContact CG2-CD1 3.43Å; I330-L360 VanDerWaalsContact CG2-CD1 3.43Å; I330-L429 HydrophobicContact CD1-CD2 3.63Å; I330-F433 HydrophobicContact CD1-CE1 3.84Å; I330-F433 HydrophobicContact CD1-CZ 3.86Å; I330-F433 HydrophobicContact CG2-CE1 4.17Å
331	S	97.6	Very high	95.3	Very high	19 Å²	19	49.4 Å²	49.4	13%	0.133	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.6	176.6	-62.7	0	0	0	0	110.9	E353	S331-E353 PolarHBondContact N-O 3.12Å; S331-E353 PolarHBondContact O-N 3.39Å
332	I	97.8	Very high	95.2	Very high	17 Å²	17	49.6 Å²	49.6	9%	0.087	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	123.7	174.3	-54.5	178	0	0	0	108.7	L320 S321 L324 W350 I352	L320-I332 HydrophobicContact CD2-CD1 3.77Å; L320-I332 HydrophobicContact CG-CD1 3.94Å; S321-I332 PolarHBondContact OG-N 3.19Å; S321-I332 PolarHBondContact OG-O 3.46Å; L324-I332 HydrophobicContact CD1-CD1 3.94Å; L324-I332 HydrophobicContact CD1-CG1 4.27Å; I332-W350 HydrophobicContact CD1-CE3 4.28Å; I332-W350 HydrophobicContact CD1-CZ3 4.22Å; I332-W350 HydrophobicContact CG2-CB 3.82Å; I332-W350 HydrophobicContact CG2-CD2 3.66Å; I332-W350 HydrophobicContact CG2-CE3 3.91Å; I332-W350 HydrophobicContact CG2-CG 3.62Å; I332-I352 HydrophobicContact CB-CD1 4.24Å; I332-I352 HydrophobicContact CG1-CD1 3.84Å; I332-I352 HydrophobicContact CG2-CD1 4.18Å
333	Y	96.6	Very high	95	Very high	97 Å²	97	46.2 Å²	46.2	38%	0.38	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123	171.9	-61.9	-84.4	0	0	0	109.9	E335 W350 L351 E353	Y333-E335 PolarHBondContact O-N 3.37Å; Y333-W350 CarbonylContact O-C 3.35Å; Y333-W350 VanDerWaalsContact O-CA 3.3Å; Y333-W350 WeakPolarHBondContact O-CA 3.4Å; Y333-L351 PolarHBondContact N-O 2.96Å; Y333-L351 PolarHBondContact O-N 2.95Å; Y333-E353 HydrophobicContact CD2-CB 4.4Å; Y333-E353 HydrophobicContact CD2-CG 4.03Å; Y333-E353 HydrophobicContact CE2-CB 3.99Å; Y333-E353 HydrophobicContact CE2-CG 4Å; Y333-E353 WeakPolarHBondContact CE2-OE2 3.31Å
334	T	95.1	Very high	94.8	Very high	92 Å²	92	49.9 Å²	49.9	56%	0.564	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	118	174.7	-60.1	0	0	0	0	109.7	K349	T334-K349 WeakPolarHBondContact CA-O 3.4Å
335	E	94.4	Very high	94.5	Very high	63 Å²	63	55.7 Å²	55.7	29%	0.294	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	148.3	175.5	-71.8	-167.2	157.2	0	0	111.3	Y333 K349 L351	Y333-E335 PolarHBondContact O-N 3.37Å; E335-K349 HydrophobicContact CB-CD 4.15Å; E335-K349 PolarHBondContact N-O 2.88Å; E335-K349 VanDerWaalsContact OE2-CE 3.29Å; E335-K349 WeakPolarHBondContact OE2-CE 3.41Å; E335-K349 IonicContact OE2-NZ 3.7Å; E335-K349 PolarHBondContact OE2-NZ 3.4Å; E335-L351 HydrophobicContact CG-CB 4.02Å
336	Q	93.2	Very high	94.2	Very high	167 Å²	167	52.8 Å²	52.8	78%	0.78	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-73.3	128.9	170.4	-169.9	64.9	29.3	0	0	109.9
337	T	94.3	Very high	94.1	Very high	37 Å²	37	48.2 Å²	48.2	23%	0.227	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-72.5	143.3	174.6	58.3	0	0	0	0	111.4	V342 K349	T337-V342 HydrophobicContact CG2-CG1 3.57Å; T337-V342 HydrophobicContact CG2-CG2 4.18Å; T337-K349 HydrophobicContact CG2-CB 3.96Å
338	E	93.8	Very high	94.1	Very high	84 Å²	84	50.2 Å²	50.2	39%	0.393	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-87.2	158.6	176.2	-67	-178.8	-115.1	0	0	112.4	V26 K30 G340 E341	V26-E338 HydrophobicContact CG1-CB 4.05Å; V26-E338 WeakPolarHBondContact CG1-OE2 3.33Å; V26-E338 HydrophobicContact CG2-CB 3.76Å; K30-E338 WeakPolarHBondContact CE-OE1 3.29Å; K30-E338 IonicContact NZ-OE1 2.63Å; K30-E338 PolarHBondContact NZ-OE1 3.17Å; E338-G340 PolarHBondContact O-N 3.12Å; E338-G340 VanDerWaalsContact O-N 3.12Å; E338-E341 HydrophobicContact CB-CB 4.46Å; E338-E341 PolarHBondContact N-OE2 2.92Å; E338-E341 VanDerWaalsContact O-CB 3.24Å; E338-E341 WeakPolarHBondContact O-CB 3.38Å; E338-E341 PolarHBondContact O-N 3.07Å
339	P	91.9	Very high	94.1	Very high	70 Å²	70	50.4 Å²	50.4	46%	0.455	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	118.4	178.5	-27.1	36	0	0	0	113.6	S25 V26	S25-P339 WeakPolarHBondContact CA-O 3.34Å; S25-P339 PolarHBondContact OG-O 2.83Å; V26-P339 PolarHBondContact N-O 2.71Å; V26-P339 VanDerWaalsContact N-O 3.12Å
340	G	91.1	Very high	94.1	Very high	40 Å²	40	50.4 Å²	50.4	41%	0.412	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.4	-0.3	-179.5	0	0	0	0	0	115.5	G27 L28 E338 V342	G27-G340 CarbonylContact C-O 3.56Å; L28-G340 WeakPolarHBondContact CA-O 3.08Å; L28-G340 PolarHBondContact N-O 3.18Å; E338-G340 PolarHBondContact O-N 3.12Å; E338-G340 VanDerWaalsContact O-N 3.12Å; G340-V342 VanDerWaalsContact C-N 3.34Å
341	E	94.5	Very high	94.1	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.274	C	S	.	.	S	Bend	trans	-65.7	-36.4	176.8	-175.7	173.7	177.6	0	0	113	V26 G27 F29 K30 E338 K349 Y364	V26-E341 HydrophobicContact CG2-CB 3.72Å; V26-E341 HydrophobicContact CG2-CG 4.48Å; G27-E341 WeakPolarHBondContact O-CA 3.4Å; F29-E341 PolarHBondContact N-O 2.91Å; K30-E341 WeakPolarHBondContact CE-OE1 3.36Å; K30-E341 VanDerWaalsContact CE-OE2 3.22Å; K30-E341 WeakPolarHBondContact CE-OE2 3.22Å; K30-E341 HydrophobicContact CG-CG 3.81Å; E338-E341 HydrophobicContact CB-CB 4.46Å; E338-E341 PolarHBondContact N-OE2 2.92Å; E338-E341 VanDerWaalsContact O-CB 3.24Å; E338-E341 WeakPolarHBondContact O-CB 3.38Å; E338-E341 PolarHBondContact O-N 3.07Å; E341-K349 VanDerWaalsContact OE1-CD 3.27Å; E341-K349 WeakPolarHBondContact OE1-CD 3.15Å; E341-K349 WeakPolarHBondContact OE1-CE 3.41Å; E341-K349 IonicContact OE1-NZ 2.93Å; E341-K349 PolarHBondContact OE1-NZ 3.34Å; E341-Y364 HydrophobicContact CG-CE1 4.1Å; E341-Y364 PolarHBondContact OE1-OH 3.04Å
342	V	93.8	Very high	94.1	Very high	25 Å²	25	50.3 Å²	50.3	15%	0.152	27%	0.268	C	S	.	.	S	Bend	trans	-120.3	157.7	-173.7	-65	0	0	0	0	111.6	T337 G340 V347 Y364	T337-V342 HydrophobicContact CG2-CG1 3.57Å; T337-V342 HydrophobicContact CG2-CG2 4.18Å; G340-V342 VanDerWaalsContact C-N 3.34Å; V342-V347 HydrophobicContact CB-CB 4.09Å; V342-V347 HydrophobicContact CB-CG1 4.24Å; V342-V347 HydrophobicContact CG1-CB 4.18Å; V342-V347 HydrophobicContact CG1-CG1 3.86Å; V342-V347 HydrophobicContact CG2-CB 4.5Å; V342-Y364 HydrophobicContact CG1-CD1 3.78Å; V342-Y364 HydrophobicContact CG1-CE1 3.83Å
343	W	90.5	Very high	94.1	Very high	41 Å²	41	51.1 Å²	51.1	16%	0.155	27%	0.272	C	S	.	.	S	Bend	trans	-87.5	-12.3	-177.1	58.8	88.5	0	0	0	114.5	L28 F29 L91 L92 V347 D366 V398	L28-W343 HydrophobicContact CD1-CB 4.27Å; L28-W343 HydrophobicContact CD1-CE3 3.99Å; F29-W343 HydrophobicContact CD1-CZ3 4.46Å; F29-W343 HydrophobicContact CE1-CE3 4.38Å; F29-W343 HydrophobicContact CE1-CH2 4.15Å; F29-W343 AromaticContact CE1-CZ3 3.44Å; F29-W343 HydrophobicContact CE1-CZ3 3.44Å; F29-W343 VanDerWaalsContact CE1-CZ3 3.44Å; F29-W343 HydrophobicContact CE2-CZ3 4.48Å; F29-W343 HydrophobicContact CZ-CE3 4.09Å; F29-W343 HydrophobicContact CZ-CH2 4.2Å; F29-W343 AromaticContact CZ-CZ3 3.44Å; F29-W343 HydrophobicContact CZ-CZ3 3.44Å; F29-W343 VanDerWaalsContact CZ-CZ3 3.44Å; L91-W343 HydrophobicContact CD1-CH2 4.07Å; L91-W343 HydrophobicContact CD1-CZ2 3.35Å; L92-W343 HydrophobicContact CD1-CB 4.2Å; L92-W343 HydrophobicContact CD2-CB 3.58Å; L92-W343 HydrophobicContact CD2-CG 3.73Å; L92-W343 HydrophobicContact CG-CB 4.41Å; W343-V347 HydrophobicContact CD2-CG2 4.28Å; W343-V347 HydrophobicContact CH2-CG1 4.16Å; W343-V347 HydrophobicContact CH2-CG2 4.5Å; W343-V347 HydrophobicContact CZ2-CG1 4.26Å; W343-V347 HydrophobicContact CZ2-CG2 3.86Å; W343-D366 HydrophobicContact CZ2-CB 3.92Å; W343-D366 PolarHBondContact NE1-OD2 3.03Å; W343-V398 HydrophobicContact CH2-CB 4.4Å; W343-V398 HydrophobicContact CH2-CG1 3.61Å; W343-V398 HydrophobicContact CH2-CG2 3.83Å; W343-V398 HydrophobicContact CZ2-CG1 3.88Å; W343-V398 HydrophobicContact CZ3-CG2 4.35Å
344	H	90.6	Very high	94.1	Very high	78 Å²	78	47.3 Å²	47.3	36%	0.361	26%	0.258	S	S	.	.	S	Bend	trans	-151.8	143.7	179.1	-166.7	-95.9	0	0	0	111.4	T346 V347	H344-T346 PolarHBondContact CE1-OG1 3.43Å; H344-T346 PolarHBondContact ND1-N 3.15Å; H344-T346 PolarHBondContact ND1-OG1 3.08Å; H344-T346 PolarHBondContact O-N 3.47Å; H344-T346 VanDerWaalsContact O-N 3.08Å; H344-V347 HydrophobicContact CB-CG2 4.1Å; H344-V347 WeakPolarHBondContact O-CB 3.33Å; H344-V347 WeakPolarHBondContact O-CG2 3.4Å; H344-V347 PolarHBondContact O-N 2.92Å; H344-V347 VanDerWaalsContact O-N 3.1Å
345	D	89.2	Confident	94.2	Very high	125 Å²	125	47.7 Å²	47.7	67%	0.668	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.8	-173.7	-71.3	-12.5	0	0	0	114.2	Y17	Y17-D345 VanDerWaalsContact OH-CG 3.28Å; Y17-D345 PolarHBondContact OH-OD1 3.22Å; Y17-D345 PolarHBondContact OH-OD2 2.73Å
346	T	90.1	Very high	94.2	Very high	47 Å²	47	51.3 Å²	51.3	29%	0.288	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-2.1	179.9	65.9	0	0	0	0	113.8	H344 T348 Y368	H344-T346 PolarHBondContact CE1-OG1 3.43Å; H344-T346 PolarHBondContact ND1-N 3.15Å; H344-T346 PolarHBondContact ND1-OG1 3.08Å; H344-T346 PolarHBondContact O-N 3.47Å; H344-T346 VanDerWaalsContact O-N 3.08Å; T346-T348 PolarHBondContact O-N 3.35Å; T346-Y368 HydrophobicContact CG2-CD2 3.87Å; T346-Y368 HydrophobicContact CG2-CE2 4.11Å
347	V	93.7	Very high	94.2	Very high	7 Å²	7	49.5 Å²	49.5	4%	0.042	26%	0.262	C	S	.	.			trans	-73.2	126.8	177.9	176.4	0	0	0	0	108.5	V342 W343 H344 Y364 C365 D366	V342-V347 HydrophobicContact CB-CB 4.09Å; V342-V347 HydrophobicContact CB-CG1 4.24Å; V342-V347 HydrophobicContact CG1-CB 4.18Å; V342-V347 HydrophobicContact CG1-CG1 3.86Å; V342-V347 HydrophobicContact CG2-CB 4.5Å; W343-V347 HydrophobicContact CD2-CG2 4.28Å; W343-V347 HydrophobicContact CH2-CG1 4.16Å; W343-V347 HydrophobicContact CH2-CG2 4.5Å; W343-V347 HydrophobicContact CZ2-CG1 4.26Å; W343-V347 HydrophobicContact CZ2-CG2 3.86Å; H344-V347 HydrophobicContact CB-CG2 4.1Å; H344-V347 WeakPolarHBondContact O-CB 3.33Å; H344-V347 WeakPolarHBondContact O-CG2 3.4Å; H344-V347 PolarHBondContact O-N 2.92Å; H344-V347 VanDerWaalsContact O-N 3.1Å; V347-Y364 HydrophobicContact CG1-CD1 4.2Å; V347-C365 WeakPolarHBondContact CA-O 3.39Å; V347-D366 HydrophobicContact CG2-CB 4.1Å
348	T	94.6	Very high	94.3	Very high	42 Å²	42	50.6 Å²	50.6	26%	0.258	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	139.8	175.3	57	0	0	0	0	110	T346 Y364 C365 W367	T346-T348 PolarHBondContact O-N 3.35Å; T348-Y364 CarbonylContact O-C 3.53Å; T348-Y364 WeakPolarHBondContact O-CA 3.49Å; T348-C365 PolarHBondContact N-O 3.1Å; T348-C365 PolarHBondContact O-N 3.03Å; T348-W367 PolarHBondContact OG1-NE1 3.24Å; T348-W367 VanDerWaalsContact OG1-NE1 3.1Å
349	K	97.5	Very high	94.4	Very high	5 Å²	5	48.5 Å²	48.5	2%	0.022	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.3	174.6	-176.8	-170.4	-178.2	-163.5	0	110.3	T334 E335 T337 E341 Y362 I363 Y364	T334-K349 WeakPolarHBondContact CA-O 3.4Å; E335-K349 HydrophobicContact CB-CD 4.15Å; E335-K349 PolarHBondContact N-O 2.88Å; E335-K349 VanDerWaalsContact OE2-CE 3.29Å; E335-K349 WeakPolarHBondContact OE2-CE 3.41Å; E335-K349 IonicContact OE2-NZ 3.7Å; E335-K349 PolarHBondContact OE2-NZ 3.4Å; T337-K349 HydrophobicContact CG2-CB 3.96Å; E341-K349 VanDerWaalsContact OE1-CD 3.27Å; E341-K349 WeakPolarHBondContact OE1-CD 3.15Å; E341-K349 WeakPolarHBondContact OE1-CE 3.41Å; E341-K349 IonicContact OE1-NZ 2.93Å; E341-K349 PolarHBondContact OE1-NZ 3.34Å; K349-Y362 VanDerWaalsContact CE-CD1 3.49Å; K349-I363 CarbonylContact C-O 3.6Å; K349-Y364 HydrophobicContact CB-CD1 4.07Å; K349-Y364 HydrophobicContact CB-CE1 3.98Å; K349-Y364 HydrophobicContact CD-CE1 3.91Å; K349-Y364 HydrophobicContact CG-CD1 4.13Å; K349-Y364 HydrophobicContact CG-CE1 3.75Å
350	W	97.9	Very high	94.7	Very high	1 Å²	1	45.4 Å²	45.4	0%	0.004	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129.6	174.7	-60	-15.5	0	0	0	110.8	I317 L320 I332 Y333 I352 Y362 I363 W367 I425	I317-W350 HydrophobicContact CB-CZ2 4.41Å; I317-W350 HydrophobicContact CD1-CZ2 3.78Å; I317-W350 HydrophobicContact CG1-CH2 4.15Å; I317-W350 HydrophobicContact CG1-CZ2 3.68Å; I317-W350 HydrophobicContact CG2-CH2 4.49Å; I317-W350 HydrophobicContact CG2-CZ2 3.87Å; L320-W350 HydrophobicContact CD2-CZ3 4.45Å; I332-W350 HydrophobicContact CD1-CE3 4.28Å; I332-W350 HydrophobicContact CD1-CZ3 4.22Å; I332-W350 HydrophobicContact CG2-CB 3.82Å; I332-W350 HydrophobicContact CG2-CD2 3.66Å; I332-W350 HydrophobicContact CG2-CE3 3.91Å; I332-W350 HydrophobicContact CG2-CG 3.62Å; Y333-W350 CarbonylContact O-C 3.35Å; Y333-W350 VanDerWaalsContact O-CA 3.3Å; Y333-W350 WeakPolarHBondContact O-CA 3.4Å; W350-I352 HydrophobicContact CB-CD1 4.29Å; W350-Y362 CarbonylContact O-C 3.47Å; W350-Y362 VanDerWaalsContact O-CA 3.31Å; W350-Y362 WeakPolarHBondContact O-CA 3.34Å; W350-I363 HydrophobicContact CB-CB 4.2Å; W350-I363 HydrophobicContact CE3-CB 4.3Å; W350-I363 HydrophobicContact CE3-CD1 4.18Å; W350-I363 HydrophobicContact CE3-CG2 4.31Å; W350-I363 PolarHBondContact N-O 2.89Å; W350-I363 PolarHBondContact O-N 2.86Å; W350-W367 AromaticContact CH2-CH2 3.92Å; W350-W367 HydrophobicContact CH2-CH2 3.92Å; W350-W367 AromaticContact CH2-CZ2 3.69Å; W350-W367 HydrophobicContact CH2-CZ2 3.69Å; W350-W367 HydrophobicContact CZ2-CH2 4.19Å; W350-W367 AromaticContact CZ2-CZ2 3.52Å; W350-W367 HydrophobicContact CZ2-CZ2 3.52Å; W350-I425 HydrophobicContact CZ3-CD1 3.82Å
351	L	97.9	Very high	95	Very high	15 Å²	15	43.5 Å²	43.5	8%	0.079	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	129.5	164.3	169.5	73.5	0	0	0	107.9	Y333 E335 E353 T359 Y362	Y333-L351 PolarHBondContact N-O 2.96Å; Y333-L351 PolarHBondContact O-N 2.95Å; E335-L351 HydrophobicContact CG-CB 4.02Å; L351-E353 HydrophobicContact CD1-CG 4.46Å; L351-E353 HydrophobicContact CD2-CG 3.96Å; L351-E353 HydrophobicContact CG-CG 3.95Å; L351-T359 HydrophobicContact CD1-CG2 3.32Å; L351-Y362 HydrophobicContact CB-CD1 4.42Å; L351-Y362 HydrophobicContact CB-CE1 4.37Å; L351-Y362 HydrophobicContact CD1-CD1 4.04Å; L351-Y362 HydrophobicContact CD1-CE1 3.44Å; L351-Y362 VanDerWaalsContact CD1-CE1 3.44Å
352	I	98.2	Very high	95.2	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.015	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.2	177.1	-50.2	-59	0	0	0	108.5	I330 I332 W350 L360 G361 I363 L432	I330-I352 HydrophobicContact CB-CG2 4.21Å; I330-I352 HydrophobicContact CD1-CG2 4.04Å; I330-I352 HydrophobicContact CG1-CG2 4.49Å; I332-I352 HydrophobicContact CB-CD1 4.24Å; I332-I352 HydrophobicContact CG1-CD1 3.84Å; I332-I352 HydrophobicContact CG2-CD1 4.18Å; W350-I352 HydrophobicContact CB-CD1 4.29Å; I352-L360 HydrophobicContact CG2-CB 4.36Å; I352-L360 HydrophobicContact CG2-CD1 4.24Å; I352-L360 PolarHBondContact O-N 3.38Å; I352-G361 PolarHBondContact N-O 2.74Å; I352-G361 VanDerWaalsContact N-O 3.1Å; I352-I363 HydrophobicContact CD1-CD1 4.06Å; I352-I363 HydrophobicContact CD1-CG1 4.34Å; I352-I363 HydrophobicContact CG1-CD1 4.12Å; I352-I363 HydrophobicContact CG1-CG1 4.05Å; I352-L432 HydrophobicContact CB-CD1 4.36Å; I352-L432 HydrophobicContact CG1-CD1 3.78Å; I352-L432 HydrophobicContact CG2-CD1 4.44Å
353	E	97.9	Very high	95.4	Very high	34 Å²	34	45.4 Å²	45.4	16%	0.159	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	151.9	176.2	-55.1	-171.3	144.1	0	0	111	I330 S331 Y333 L351 H357 S358	I330-E353 CarbonylContact C-O 3.57Å; I330-E353 WeakPolarHBondContact CA-O 3.39Å; I330-E353 WeakPolarHBondContact CB-O 3.46Å; S331-E353 PolarHBondContact N-O 3.12Å; S331-E353 PolarHBondContact O-N 3.39Å; Y333-E353 HydrophobicContact CD2-CB 4.4Å; Y333-E353 HydrophobicContact CD2-CG 4.03Å; Y333-E353 HydrophobicContact CE2-CB 3.99Å; Y333-E353 HydrophobicContact CE2-CG 4Å; Y333-E353 WeakPolarHBondContact CE2-OE2 3.31Å; L351-E353 HydrophobicContact CD1-CG 4.46Å; L351-E353 HydrophobicContact CD2-CG 3.96Å; L351-E353 HydrophobicContact CG-CG 3.95Å; E353-H357 IonicContact OE2-ND1 2.63Å; E353-S358 WeakPolarHBondContact CA-O 3.15Å
354	D	96.6	Very high	95.8	Very high	17 Å²	17	43.8 Å²	43.8	9%	0.091	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	178.2	165	64.5	26.7	0	0	0	112.8	G329 Q356 H357 S358 L360 R584	G329-D354 VanDerWaalsContact O-CA 3.3Å; G329-D354 WeakPolarHBondContact O-CA 3.46Å; D354-Q356 VanDerWaalsContact CG-OE1 3.29Å; D354-Q356 PolarHBondContact O-N 2.87Å; D354-Q356 WeakPolarHBondContact OD1-CA 3.39Å; D354-Q356 WeakPolarHBondContact OD1-CB 3.4Å; D354-Q356 PolarHBondContact OD1-N 3.28Å; D354-Q356 PolarHBondContact OD1-OE1 3.21Å; D354-Q356 PolarHBondContact OD2-OE1 3.32Å; D354-H357 WeakPolarHBondContact O-CA 3.26Å; D354-H357 PolarHBondContact O-N 2.92Å; D354-H357 PolarHBondContact OD1-N 2.85Å; D354-S358 PolarHBondContact N-O 2.95Å; D354-S358 WeakPolarHBondContact OD1-CB 3.3Å; D354-S358 PolarHBondContact OD1-N 2.95Å; D354-S358 WeakPolarHBondContact OD2-CB 3.3Å; D354-L360 HydrophobicContact CB-CD1 4.44Å; D354-L360 HydrophobicContact CB-CD2 4.26Å; D354-R584 IonicContact OD2-NH2 3.27Å
355	E	95.8	Very high	96	Very high	100 Å²	100	40 Å²	40	47%	0.467	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-16.1	177.9	-72.7	174.9	162.2	0	0	114.5	G329 R577	G329-E355 PolarHBondContact O-N 3.38Å; G329-E355 VanDerWaalsContact O-N 3.16Å; E355-R577 IonicContact OE1-CZ 2.94Å; E355-R577 IonicContact OE1-NH1 2.65Å; E355-R577 PolarHBondContact OE1-NH1 3.31Å; E355-R577 IonicContact OE1-NH2 2.88Å; E355-R577 PolarHBondContact OE1-NH2 2.99Å; E355-R577 IonicContact OE2-CZ 2.77Å; E355-R577 IonicContact OE2-NH1 3.96Å; E355-R577 IonicContact OE2-NH2 3.93Å; E355-R577 PolarHBondContact OE2-NH2 3.47Å
356	Q	95	Very high	96.3	Very high	140 Å²	140	34.1 Å²	34.1	65%	0.654	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	7.8	171.3	-62.1	97.7	9.1	0	0	112.4	D354 S358	D354-Q356 VanDerWaalsContact CG-OE1 3.29Å; D354-Q356 PolarHBondContact O-N 2.87Å; D354-Q356 WeakPolarHBondContact OD1-CA 3.39Å; D354-Q356 WeakPolarHBondContact OD1-CB 3.4Å; D354-Q356 PolarHBondContact OD1-N 3.28Å; D354-Q356 PolarHBondContact OD1-OE1 3.21Å; D354-Q356 PolarHBondContact OD2-OE1 3.32Å; Q356-S358 PolarHBondContact O-N 3.44Å
357	H	94.2	Very high	96.5	Very high	129 Å²	129	32 Å²	32	60%	0.597	16%	0.161	S	C	*	.			trans	59	26.1	-172.1	-59	-71.2	0	0	0	113	E353 D354	E353-H357 IonicContact OE2-ND1 2.63Å; D354-H357 WeakPolarHBondContact O-CA 3.26Å; D354-H357 PolarHBondContact O-N 2.92Å; D354-H357 PolarHBondContact OD1-N 2.85Å
358	S	95.1	Very high	96.5	Very high	59 Å²	59	32.4 Å²	32.4	41%	0.413	16%	0.161	S	C	.	.			trans	-85	126.6	171.5	-55.3	0	0	0	0	109	E353 D354 Q356 L360	E353-S358 WeakPolarHBondContact CA-O 3.15Å; D354-S358 PolarHBondContact N-O 2.95Å; D354-S358 WeakPolarHBondContact OD1-CB 3.3Å; D354-S358 PolarHBondContact OD1-N 2.95Å; D354-S358 WeakPolarHBondContact OD2-CB 3.3Å; Q356-S358 PolarHBondContact O-N 3.44Å; S358-L360 PolarHBondContact O-N 2.94Å
359	T	97.2	Very high	96.3	Very high	41 Å²	41	33 Å²	33	25%	0.252	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	127.4	176	-54	0	0	0	0	110.7	L351 Y362 L394	L351-T359 HydrophobicContact CD1-CG2 3.32Å; T359-Y362 HydrophobicContact CG2-CE2 4.37Å; T359-L394 HydrophobicContact CG2-CD1 3.76Å; T359-L394 VanDerWaalsContact O-CD2 3.27Å; T359-L394 WeakPolarHBondContact O-CD2 3.36Å
360	L	97.2	Very high	95.8	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.026	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-26	175.8	-53.8	-175.8	0	0	0	112.8	I330 I352 D354 S358 P395 F433	I330-L360 HydrophobicContact CB-CD1 4.35Å; I330-L360 HydrophobicContact CG2-CD1 3.43Å; I330-L360 VanDerWaalsContact CG2-CD1 3.43Å; I352-L360 HydrophobicContact CG2-CB 4.36Å; I352-L360 HydrophobicContact CG2-CD1 4.24Å; I352-L360 PolarHBondContact O-N 3.38Å; D354-L360 HydrophobicContact CB-CD1 4.44Å; D354-L360 HydrophobicContact CB-CD2 4.26Å; S358-L360 PolarHBondContact O-N 2.94Å; L360-P395 VanDerWaalsContact O-CD 3.31Å; L360-P395 WeakPolarHBondContact O-CD 3.2Å; L360-P395 WeakPolarHBondContact O-CG 3.47Å; L360-F433 HydrophobicContact CD1-CD1 4.41Å; L360-F433 HydrophobicContact CD1-CE1 4.27Å
361	G	97.8	Very high	95.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.5	-168.2	177.9	0	0	0	0	0	112.4	I352 P395	I352-G361 PolarHBondContact N-O 2.74Å; I352-G361 VanDerWaalsContact N-O 3.1Å; G361-P395 VanDerWaalsContact CA-O 3.26Å; G361-P395 WeakPolarHBondContact CA-O 3.07Å
362	Y	98.1	Very high	94.3	Very high	60 Å²	60	45.6 Å²	45.6	24%	0.235	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	139.9	-175.1	-57.6	-86.8	0	0	0	111.8	K349 W350 L351 T359 L394 P395 V396 V397	K349-Y362 VanDerWaalsContact CE-CD1 3.49Å; W350-Y362 CarbonylContact O-C 3.47Å; W350-Y362 VanDerWaalsContact O-CA 3.31Å; W350-Y362 WeakPolarHBondContact O-CA 3.34Å; L351-Y362 HydrophobicContact CB-CD1 4.42Å; L351-Y362 HydrophobicContact CB-CE1 4.37Å; L351-Y362 HydrophobicContact CD1-CD1 4.04Å; L351-Y362 HydrophobicContact CD1-CE1 3.44Å; L351-Y362 VanDerWaalsContact CD1-CE1 3.44Å; T359-Y362 HydrophobicContact CG2-CE2 4.37Å; Y362-L394 HydrophobicContact CE2-CD1 4.44Å; Y362-P395 PolarHBondContact N-O 3.07Å; Y362-V396 HydrophobicContact CD2-CG2 4.28Å; Y362-V396 WeakPolarHBondContact O-CA 3.49Å; Y362-V397 WeakPolarHBondContact O-CG2 3.44Å; Y362-V397 PolarHBondContact O-N 3.48Å
363	I	98.3	Very high	93.8	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.3	173.1	-48	-175.5	0	0	0	108.8	K349 W350 I352 C365 V397 L399 A428 L432	K349-I363 CarbonylContact C-O 3.6Å; W350-I363 HydrophobicContact CB-CB 4.2Å; W350-I363 HydrophobicContact CE3-CB 4.3Å; W350-I363 HydrophobicContact CE3-CD1 4.18Å; W350-I363 HydrophobicContact CE3-CG2 4.31Å; W350-I363 PolarHBondContact N-O 2.89Å; W350-I363 PolarHBondContact O-N 2.86Å; I352-I363 HydrophobicContact CD1-CD1 4.06Å; I352-I363 HydrophobicContact CD1-CG1 4.34Å; I352-I363 HydrophobicContact CG1-CD1 4.12Å; I352-I363 HydrophobicContact CG1-CG1 4.05Å; I363-C365 VanDerWaalsContact CG2-SG 3.55Å; I363-V397 CarbonylContact C-O 3.42Å; I363-V397 WeakPolarHBondContact CA-O 3.31Å; I363-V397 HydrophobicContact CB-CG2 3.93Å; I363-V397 HydrophobicContact CD1-CG2 4.43Å; I363-V397 HydrophobicContact CG1-CG2 3.6Å; I363-V397 HydrophobicContact CG2-CG2 3.92Å; I363-L399 HydrophobicContact CG2-CD1 3.92Å; I363-L399 HydrophobicContact CG2-CG 3.84Å; I363-A428 HydrophobicContact CD1-CB 4Å; I363-L432 HydrophobicContact CD1-CD1 3.69Å; I363-L432 HydrophobicContact CG1-CD1 3.85Å
364	Y	97.9	Very high	93	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.027	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.3	166.2	-65.8	-93.5	0	0	0	109	F29 E341 V342 V347 T348 K349 V396 V397 V398 L399	F29-Y364 AromaticContact CD1-CD2 3.89Å; F29-Y364 HydrophobicContact CD1-CD2 3.89Å; F29-Y364 AromaticContact CD1-CE2 3.72Å; F29-Y364 HydrophobicContact CD1-CE2 3.72Å; F29-Y364 HydrophobicContact CD1-CG 4.47Å; F29-Y364 HydrophobicContact CE1-CD2 4.01Å; F29-Y364 HydrophobicContact CE1-CE2 4.31Å; F29-Y364 HydrophobicContact CE1-CG 4.34Å; E341-Y364 HydrophobicContact CG-CE1 4.1Å; E341-Y364 PolarHBondContact OE1-OH 3.04Å; V342-Y364 HydrophobicContact CG1-CD1 3.78Å; V342-Y364 HydrophobicContact CG1-CE1 3.83Å; V347-Y364 HydrophobicContact CG1-CD1 4.2Å; T348-Y364 CarbonylContact O-C 3.53Å; T348-Y364 WeakPolarHBondContact O-CA 3.49Å; K349-Y364 HydrophobicContact CB-CD1 4.07Å; K349-Y364 HydrophobicContact CB-CE1 3.98Å; K349-Y364 HydrophobicContact CD-CE1 3.91Å; K349-Y364 HydrophobicContact CG-CD1 4.13Å; K349-Y364 HydrophobicContact CG-CE1 3.75Å; Y364-V396 HydrophobicContact CD2-CG1 3.93Å; Y364-V396 HydrophobicContact CE2-CG1 3.6Å; Y364-V397 PolarHBondContact N-O 2.95Å; Y364-V398 CarbonylContact O-C 3.56Å; Y364-V398 VanDerWaalsContact O-CA 3.27Å; Y364-V398 WeakPolarHBondContact O-CA 3.34Å; Y364-L399 PolarHBondContact O-N 2.74Å
365	C	96.7	Very high	92.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.9	-179.8	-55.9	0	0	0	0	110.5	V347 T348 I363 W367 L399	V347-C365 WeakPolarHBondContact CA-O 3.39Å; T348-C365 PolarHBondContact N-O 3.1Å; T348-C365 PolarHBondContact O-N 3.03Å; I363-C365 VanDerWaalsContact CG2-SG 3.55Å; C365-W367 HydrophobicContact CB-CD2 4.39Å; C365-W367 VanDerWaalsContact CB-CE2 3.49Å; C365-W367 HydrophobicContact CB-CH2 4.37Å; C365-W367 HydrophobicContact CB-CZ2 3.47Å; C365-W367 VanDerWaalsContact CB-CZ2 3.47Å; C365-L399 WeakPolarHBondContact CA-O 3.46Å
366	D	95	Very high	91.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	96.1	178.3	-174.3	-11.9	0	0	0	109.8	W343 V347 R370 K373 L399 F401	W343-D366 HydrophobicContact CZ2-CB 3.92Å; W343-D366 PolarHBondContact NE1-OD2 3.03Å; V347-D366 HydrophobicContact CG2-CB 4.1Å; D366-R370 IonicContact OD1-CZ 3.34Å; D366-R370 IonicContact OD1-NH1 2.74Å; D366-R370 PolarHBondContact OD1-NH1 3.38Å; D366-R370 IonicContact OD1-NH2 3.4Å; D366-R370 IonicContact OD2-CZ 3.72Å; D366-R370 IonicContact OD2-NH1 2.68Å; D366-R370 PolarHBondContact OD2-NH1 3.48Å; D366-R370 IonicContact OD2-NH2 3.49Å; D366-R370 PolarHBondContact OD2-NH2 3.48Å; D366-K373 PolarHBondContact O-NZ 2.91Å; D366-K373 IonicContact OD1-NZ 2.74Å; D366-K373 PolarHBondContact OD1-NZ 3.22Å; D366-K373 IonicContact OD2-NZ 3.5Å; D366-L399 PolarHBondContact N-O 2.67Å; D366-F401 PolarHBondContact O-N 2.8Å
367	W	93.8	Very high	91.7	Very high	3 Å²	3	40.5 Å²	40.5	1%	0.011	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-38.2	-165.3	-61.8	101.2	0	0	0	115.5	L313 I317 T348 W350 C365 F401 L403 V421	L313-W367 HydrophobicContact CD1-CD2 4.18Å; L313-W367 HydrophobicContact CD1-CE3 3.79Å; L313-W367 HydrophobicContact CD1-CH2 3.89Å; L313-W367 HydrophobicContact CD1-CZ2 4.26Å; L313-W367 HydrophobicContact CD1-CZ3 3.63Å; L313-W367 HydrophobicContact CD2-CB 4.48Å; L313-W367 HydrophobicContact CD2-CD2 3.87Å; L313-W367 HydrophobicContact CD2-CE3 4.13Å; L313-W367 HydrophobicContact CD2-CG 4.02Å; I317-W367 HydrophobicContact CD1-CZ2 4.3Å; T348-W367 PolarHBondContact OG1-NE1 3.24Å; T348-W367 VanDerWaalsContact OG1-NE1 3.1Å; W350-W367 AromaticContact CH2-CH2 3.92Å; W350-W367 HydrophobicContact CH2-CH2 3.92Å; W350-W367 AromaticContact CH2-CZ2 3.69Å; W350-W367 HydrophobicContact CH2-CZ2 3.69Å; W350-W367 HydrophobicContact CZ2-CH2 4.19Å; W350-W367 AromaticContact CZ2-CZ2 3.52Å; W350-W367 HydrophobicContact CZ2-CZ2 3.52Å; C365-W367 HydrophobicContact CB-CD2 4.39Å; C365-W367 VanDerWaalsContact CB-CE2 3.49Å; C365-W367 HydrophobicContact CB-CH2 4.37Å; C365-W367 HydrophobicContact CB-CZ2 3.47Å; C365-W367 VanDerWaalsContact CB-CZ2 3.47Å; W367-F401 CarbonylContact C-O 2.92Å; W367-F401 HydrophobicContact CD2-CD2 4.29Å; W367-F401 AromaticContact CE3-CD2 3.53Å; W367-F401 HydrophobicContact CE3-CD2 3.53Å; W367-F401 HydrophobicContact CE3-CE2 4.04Å; W367-F401 HydrophobicContact CE3-CG 4.31Å; W367-F401 HydrophobicContact CH2-CD2 4.36Å; W367-F401 HydrophobicContact CH2-CE2 4.03Å; W367-F401 AromaticContact CZ3-CD2 3.58Å; W367-F401 HydrophobicContact CZ3-CD2 3.58Å; W367-F401 AromaticContact CZ3-CE2 3.61Å; W367-F401 HydrophobicContact CZ3-CE2 3.61Å; W367-F401 HydrophobicContact CZ3-CG 4.44Å; W367-F401 CarbonylContact O-C 3.6Å; W367-F401 VanDerWaalsContact O-O 3.05Å; W367-L403 HydrophobicContact CB-CD1 4.3Å; W367-L403 HydrophobicContact CE3-CD1 3.94Å; W367-L403 VanDerWaalsContact O-CB 3.31Å; W367-L403 WeakPolarHBondContact O-CB 3.43Å; W367-L403 WeakPolarHBondContact O-CG 3.22Å; W367-L403 PolarHBondContact O-N 3.47Å; W367-V421 HydrophobicContact CH2-CG1 4.34Å; W367-V421 HydrophobicContact CZ3-CG1 4.19Å; W367-V421 HydrophobicContact CZ3-CG2 4.14Å
368	Y	92.9	Very high	91.8	Very high	15 Å²	15	36 Å²	36	6%	0.059	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	147	-160.9	-55.5	-71.2	0	0	0	113.3	T346 K373 L403 P408 T411	T346-Y368 HydrophobicContact CG2-CD2 3.87Å; T346-Y368 HydrophobicContact CG2-CE2 4.11Å; Y368-K373 WeakPolarHBondContact O-CD 3.41Å; Y368-K373 PolarHBondContact O-NZ 2.93Å; Y368-L403 WeakPolarHBondContact CA-O 3.45Å; Y368-L403 HydrophobicContact CD1-CB 4.33Å; Y368-P408 VanDerWaalsContact OH-CA 3.25Å; Y368-P408 WeakPolarHBondContact OH-CA 3.41Å; Y368-T411 HydrophobicContact CE1-CG2 3.98Å; Y368-T411 WeakPolarHBondContact CE1-OG1 3.17Å; Y368-T411 PolarHBondContact OH-OG1 3.45Å
369	D	90.4	Very high	91.8	Very high	54 Å²	54	34.9 Å²	34.9	29%	0.289	19%	0.186	S	C	.	.			trans	-66.9	145.2	173.3	-167.1	21.7	0	0	0	112.1	R402 L403	D369-R402 HydrophobicContact CB-CB 4.13Å; D369-R402 VanDerWaalsContact CG-NE 3.35Å; D369-R402 IonicContact OD1-CZ 3.7Å; D369-R402 IonicContact OD1-NE 3.85Å; D369-R402 PolarHBondContact OD1-NE 3.38Å; D369-R402 IonicContact OD1-NH2 2.7Å; D369-R402 PolarHBondContact OD1-NH2 3.21Å; D369-R402 IonicContact OD2-CZ 3.95Å; D369-R402 IonicContact OD2-NE 3.06Å; D369-R402 IonicContact OD2-NH2 3.33Å; D369-R402 PolarHBondContact OD2-NH2 3Å; D369-L403 PolarHBondContact N-O 3.22Å
370	R	88.1	Confident	91.6	Very high	51 Å²	51	34 Å²	34	19%	0.192	18%	0.18	C	C	.	.			trans	-159.1	158.9	172.9	62.3	-177.7	176.7	-87.9	-3.5	110	L91 D366 G372 K373	L91-R370 PolarHBondContact O-NE 3.26Å; L91-R370 PolarHBondContact O-NH2 3.39Å; D366-R370 IonicContact OD1-CZ 3.34Å; D366-R370 IonicContact OD1-NH1 2.74Å; D366-R370 PolarHBondContact OD1-NH1 3.38Å; D366-R370 IonicContact OD1-NH2 3.4Å; D366-R370 IonicContact OD2-CZ 3.72Å; D366-R370 IonicContact OD2-NH1 2.68Å; D366-R370 PolarHBondContact OD2-NH1 3.48Å; D366-R370 IonicContact OD2-NH2 3.49Å; D366-R370 PolarHBondContact OD2-NH2 3.48Å; R370-G372 PolarHBondContact O-N 3.28Å; R370-K373 HydrophobicContact CG-CB 3.73Å; R370-K373 HydrophobicContact CG-CD 4.22Å; R370-K373 HydrophobicContact CG-CG 4.48Å; R370-K373 WeakPolarHBondContact O-CB 3.19Å; R370-K373 PolarHBondContact O-N 2.8Å
371	E	84.1	Confident	91.5	Very high	199 Å²	199	34.1 Å²	34.1	93%	0.93	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	128.2	178.5	-170.7	177.7	-179.5	0	0	111.6	K373	E371-K373 VanDerWaalsContact C-N 3.3Å; E371-K373 PolarHBondContact O-N 3.27Å
372	G	81.1	Confident	91.4	Very high	36 Å²	36	37.6 Å²	37.6	37%	0.371	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.3	0.8	176.6	0	0	0	0	0	116.2	S93 R370	S93-G372 VanDerWaalsContact OG-C 3.3Å; S93-G372 WeakPolarHBondContact OG-CA 3.5Å; S93-G372 PolarHBondContact OG-O 2.86Å; R370-G372 PolarHBondContact O-N 3.28Å
373	K	86.8	Confident	91.3	Very high	8 Å²	8	35 Å²	35	4%	0.035	19%	0.187	C	C	.	.			trans	-79.4	135.5	171.6	-170.5	-166.9	-178.7	172.1	0	110.1	L91 D366 Y368 R370 E371 S400 F401	L91-K373 HydrophobicContact CD2-CG 4.12Å; D366-K373 PolarHBondContact O-NZ 2.91Å; D366-K373 IonicContact OD1-NZ 2.74Å; D366-K373 PolarHBondContact OD1-NZ 3.22Å; D366-K373 IonicContact OD2-NZ 3.5Å; Y368-K373 WeakPolarHBondContact O-CD 3.41Å; Y368-K373 PolarHBondContact O-NZ 2.93Å; R370-K373 HydrophobicContact CG-CB 3.73Å; R370-K373 HydrophobicContact CG-CD 4.22Å; R370-K373 HydrophobicContact CG-CG 4.48Å; R370-K373 WeakPolarHBondContact O-CB 3.19Å; R370-K373 PolarHBondContact O-N 2.8Å; E371-K373 VanDerWaalsContact C-N 3.3Å; E371-K373 PolarHBondContact O-N 3.27Å; K373-S400 WeakPolarHBondContact CE-OG 3.49Å; K373-F401 VanDerWaalsContact CE-O 3.26Å; K373-F401 WeakPolarHBondContact CE-O 3.49Å; K373-F401 PolarHBondContact NZ-O 2.82Å
374	I	81.7	Confident	91.2	Very high	69 Å²	69	34.8 Å²	34.8	35%	0.354	19%	0.186	S	C	.	.			trans	-71.2	171.6	172	70	162.7	0	0	0	111.9	A90 S377 F379 R402	A90-I374 HydrophobicContact CB-CD1 3.73Å; A90-I374 HydrophobicContact CB-CG1 3.94Å; A90-I374 HydrophobicContact CB-CG2 4.27Å; A90-I374 PolarHBondContact O-N 2.82Å; A90-I374 VanDerWaalsContact O-N 3.14Å; I374-S377 VanDerWaalsContact CD1-OG 3.25Å; I374-S377 WeakPolarHBondContact CD1-OG 3.32Å; I374-F379 HydrophobicContact CD1-CE2 4.36Å; I374-F379 HydrophobicContact CD1-CZ 3.76Å; I374-R402 WeakPolarHBondContact O-CD 3.36Å; I374-R402 WeakPolarHBondContact O-CG 3.4Å
375	G	79.2	Confident	91.1	Very high	30 Å²	30	35.3 Å²	35.3	31%	0.309	19%	0.189	S	C	.	.	S	Bend	trans	-64.2	-158.9	178.9	0	0	0	0	0	115.2	S377 S400	G375-S377 PolarHBondContact O-N 3.31Å; G375-S377 PolarHBondContact O-OG 3.17Å; G375-S400 PolarHBondContact O-OG 3.42Å
376	D	89.4	Confident	91.1	Very high	54 Å²	54	39.8 Å²	39.8	29%	0.289	21%	0.21	S	C	.	.	S	Bend	trans	-63.9	126.7	177.2	-57.6	-14.7	0	0	0	109.1	S400 F401 R402 N420	D376-S400 CarbonylContact C-O 3.48Å; D376-S400 WeakPolarHBondContact CA-O 3.44Å; D376-F401 HydrophobicContact CB-CD1 4.22Å; D376-F401 VanDerWaalsContact OD1-CA 3.31Å; D376-F401 WeakPolarHBondContact OD1-CA 3.27Å; D376-R402 PolarHBondContact OD1-N 3.33Å; D376-N420 WeakPolarHBondContact OD2-CB 3.44Å; D376-N420 PolarHBondContact OD2-ND2 3.38Å
377	S	91.2	Very high	91.1	Very high	26 Å²	26	42.8 Å²	42.8	18%	0.182	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	145.6	-172.6	-61.3	0	0	0	0	113.8	I374 G375 S400	I374-S377 VanDerWaalsContact CD1-OG 3.25Å; I374-S377 WeakPolarHBondContact CD1-OG 3.32Å; G375-S377 PolarHBondContact O-N 3.31Å; G375-S377 PolarHBondContact O-OG 3.17Å; S377-S400 PolarHBondContact N-O 2.66Å; S377-S400 PolarHBondContact O-N 2.87Å
378	H	95	Very high	90.9	Very high	35 Å²	35	48.2 Å²	48.2	16%	0.162	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.5	169.9	161.1	-85.6	0	0	0	111.7	T380 V398 L399 E424 H427 S431	H378-T380 PolarHBondContact CE1-OG1 3.32Å; H378-V398 WeakPolarHBondContact CA-O 3.08Å; H378-L399 HydrophobicContact CB-CD2 3.92Å; H378-E424 WeakPolarHBondContact CA-OE2 3.46Å; H378-E424 WeakPolarHBondContact CB-OE2 3.3Å; H378-E424 PolarHBondContact N-OE2 3.11Å; H378-H427 HydrophobicContact CB-CB 3.9Å; H378-S431 PolarHBondContact CE1-OG 3.12Å; H378-S431 PolarHBondContact NE2-OG 3.28Å
379	F	95	Very high	90.9	Very high	36 Å²	36	53.8 Å²	53.8	16%	0.158	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.3	170.9	-58	-88.3	0	0	0	111	C87 A90 L91 I374 I381 V397 V398	C87-F379 HydrophobicContact CB-CB 4.14Å; C87-F379 HydrophobicContact CB-CD1 3.95Å; C87-F379 HydrophobicContact CB-CD2 4.37Å; C87-F379 HydrophobicContact CB-CE1 4.45Å; C87-F379 HydrophobicContact CB-CG 3.9Å; A90-F379 HydrophobicContact CB-CE1 4.13Å; A90-F379 HydrophobicContact CB-CE2 4.4Å; A90-F379 HydrophobicContact CB-CZ 3.54Å; L91-F379 HydrophobicContact CD2-CE2 4.4Å; I374-F379 HydrophobicContact CD1-CE2 4.36Å; I374-F379 HydrophobicContact CD1-CZ 3.76Å; F379-I381 HydrophobicContact CB-CD1 4.24Å; F379-V397 CarbonylContact O-C 3.57Å; F379-V397 WeakPolarHBondContact O-CA 3.19Å; F379-V398 HydrophobicContact CB-CB 4.25Å; F379-V398 HydrophobicContact CD2-CB 4.43Å; F379-V398 HydrophobicContact CD2-CG1 4.47Å; F379-V398 PolarHBondContact N-O 2.89Å; F379-V398 PolarHBondContact O-N 3Å
380	T	94.8	Very high	90.9	Very high	21 Å²	21	54.7 Å²	54.7	13%	0.129	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	109.9	166.9	-50.6	0	0	0	0	108.9	D83 H378 Q382 S431	D83-T380 VanDerWaalsContact CB-O 3.25Å; D83-T380 WeakPolarHBondContact CB-O 3.38Å; H378-T380 PolarHBondContact CE1-OG1 3.32Å; T380-Q382 WeakPolarHBondContact CG2-O 3.43Å; T380-S431 PolarHBondContact OG1-OG 3.36Å
381	I	94.4	Very high	91.3	Very high	8 Å²	8	53.7 Å²	53.7	4%	0.041	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-36.2	179.8	-56.7	-56.4	0	0	0	111.6	F29 M84 C87 F379 V396 V398	F29-I381 HydrophobicContact CD1-CG1 4.45Å; F29-I381 HydrophobicContact CD1-CG2 4.3Å; F29-I381 HydrophobicContact CD2-CG2 3.88Å; F29-I381 HydrophobicContact CE1-CD1 4.43Å; F29-I381 HydrophobicContact CE1-CG1 3.91Å; F29-I381 HydrophobicContact CE1-CG2 4.46Å; F29-I381 HydrophobicContact CE2-CD1 4.19Å; F29-I381 HydrophobicContact CE2-CG1 4.34Å; F29-I381 HydrophobicContact CE2-CG2 4.09Å; F29-I381 HydrophobicContact CG-CG2 4.01Å; F29-I381 HydrophobicContact CZ-CD1 3.87Å; F29-I381 HydrophobicContact CZ-CG1 3.86Å; F29-I381 HydrophobicContact CZ-CG2 4.38Å; M84-I381 HydrophobicContact CG-CG2 3.54Å; M84-I381 HydrophobicContact SD-CG2 4.29Å; C87-I381 HydrophobicContact CB-CD1 3.56Å; F379-I381 HydrophobicContact CB-CD1 4.24Å; I381-V396 WeakPolarHBondContact CA-O 3.27Å; I381-V396 HydrophobicContact CB-CB 4.3Å; I381-V396 HydrophobicContact CB-CG1 4.13Å; I381-V396 WeakPolarHBondContact CB-O 3.21Å; I381-V396 PolarHBondContact N-O 3.31Å; I381-V398 HydrophobicContact CD1-CG2 3.88Å; I381-V398 HydrophobicContact CG1-CG2 3.54Å
382	Q	95.2	Very high	91.8	Very high	74 Å²	74	46.8 Å²	46.8	35%	0.346	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	127	174.6	-175	170.2	-85.1	0	0	107.9	T380 Q393 L394 P395 V396	T380-Q382 WeakPolarHBondContact CG2-O 3.43Å; Q382-Q393 HydrophobicContact CG-CG 3.86Å; Q382-L394 PolarHBondContact NE2-O 3.39Å; Q382-P395 CarbonylContact O-C 3.12Å; Q382-P395 WeakPolarHBondContact O-CA 3.33Å; Q382-V396 HydrophobicContact CB-CB 3.9Å; Q382-V396 HydrophobicContact CB-CG2 4.02Å; Q382-V396 PolarHBondContact N-O 3.31Å; Q382-V396 VanDerWaalsContact N-O 3.13Å; Q382-V396 PolarHBondContact O-N 3.01Å
383	C	95.9	Very high	92.6	Very high	4 Å²	4	46.2 Å²	46.2	3%	0.027	28%	0.283	C	S	.	.			trans	-80.5	154.3	177	-70.1	0	0	0	0	111.3	Q393 Q439 R445	C383-Q393 PolarHBondContact O-NE2 3.22Å; C383-Q439 HydrophobicContact CB-CB 3.94Å; C383-R445 PolarHBondContact SG-NE 2.86Å; C383-R445 PolarHBondContact SG-NH2 3.29Å; C383-R445 VanDerWaalsContact SG-NH2 3.41Å
384	G	95.8	Very high	93.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.293	C	S	.	.			trans	-72.3	138	167.3	0	0	0	0	0	110.7	Y392 Q393 S442	G384-Y392 VanDerWaalsContact C-OH 3.27Å; G384-Y392 WeakPolarHBondContact CA-OH 3.42Å; G384-Q393 WeakPolarHBondContact CA-O 3.42Å; G384-S442 PolarHBondContact N-OG 2.91Å; G384-S442 WeakPolarHBondContact O-CB 3.31Å; G384-S442 PolarHBondContact O-OG 3.3Å
385	K	96.3	Very high	93.8	Very high	18 Å²	18	44.9 Å²	44.9	8%	0.078	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	157.5	170	55.6	162.8	-71.6	-173.8	0	112	D72 N76 Y392 Q393 T436 Q439	D72-K385 WeakPolarHBondContact OD2-CE 3.47Å; D72-K385 IonicContact OD2-NZ 2.66Å; D72-K385 PolarHBondContact OD2-NZ 3.11Å; N76-K385 HydrophobicContact CB-CD 4.42Å; K385-Y392 VanDerWaalsContact C-CD2 3.46Å; K385-Y392 PolarHBondContact N-OH 3.04Å; K385-Y392 VanDerWaalsContact O-CD2 3.23Å; K385-Y392 WeakPolarHBondContact O-CD2 3.42Å; K385-Y392 WeakPolarHBondContact O-CE2 3.14Å; K385-Q393 HydrophobicContact CG-CB 3.82Å; K385-Q393 HydrophobicContact CG-CG 4.5Å; K385-Q393 PolarHBondContact N-O 3.46Å; K385-Q393 PolarHBondContact O-N 3.34Å; K385-T436 WeakPolarHBondContact CA-O 3.45Å; K385-Q439 HydrophobicContact CB-CB 4.12Å; K385-Q439 HydrophobicContact CD-CB 4.25Å; K385-Q439 HydrophobicContact CG-CB 4.39Å
386	Q	96.2	Very high	94.7	Very high	95 Å²	95	44.3 Å²	44.3	44%	0.444	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	140.2	168.3	-68.8	178.6	5.5	0	0	110.5	Y392 T436 R437	Q386-Y392 HydrophobicContact CG-CD2 3.97Å; Q386-Y392 HydrophobicContact CG-CE2 4.22Å; Q386-T436 PolarHBondContact N-O 3.22Å; Q386-R437 HydrophobicContact CB-CG 4.49Å; Q386-R437 PolarHBondContact N-O 2.79Å
387	L	95	Very high	95.1	Very high	62 Å²	62	41.7 Å²	41.7	33%	0.325	25%	0.253	S	S	.	.			trans	-99	156.5	176.8	-64.8	176.3	0	0	0	110.4	D389 G390 G391 Q393	L387-D389 WeakPolarHBondContact CB-OD1 3.47Å; L387-D389 PolarHBondContact O-N 2.98Å; L387-G390 PolarHBondContact O-N 3.29Å; L387-G391 PolarHBondContact N-O 2.9Å; L387-Q393 HydrophobicContact CD1-CB 4.48Å; L387-Q393 HydrophobicContact CD2-CB 4.07Å; L387-Q393 HydrophobicContact CG-CB 4.25Å
388	A	90.1	Very high	95.4	Very high	117 Å²	117	40.5 Å²	40.5	97%	0.967	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.6	-177.8	0	0	0	0	0	113.7	G390	A388-G390 VanDerWaalsContact C-N 3.26Å; A388-G390 PolarHBondContact O-N 3.46Å
389	D	92.8	Very high	95.5	Very high	133 Å²	133	38.8 Å²	38.8	71%	0.711	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	2.4	176.2	64.1	-1.6	0	0	0	113.5	L387 G391	L387-D389 WeakPolarHBondContact CB-OD1 3.47Å; L387-D389 PolarHBondContact O-N 2.98Å; D389-G391 VanDerWaalsContact C-N 3.3Å; D389-G391 WeakPolarHBondContact OD1-CA 3.37Å; D389-G391 PolarHBondContact OD1-N 2.84Å
390	G	91.6	Very high	95.5	Very high	72 Å²	72	37.1 Å²	37.1	74%	0.742	23%	0.229	S	C	*	.	S	Bend	trans	84.9	-1.9	-175.4	0	0	0	0	0	114.1	L387 A388	L387-G390 PolarHBondContact O-N 3.29Å; A388-G390 VanDerWaalsContact C-N 3.26Å; A388-G390 PolarHBondContact O-N 3.46Å
391	G	95	Very high	95.5	Very high	31 Å²	31	36.2 Å²	36.2	32%	0.32	22%	0.224	S	C	.	.			trans	-74.7	179.5	171.4	0	0	0	0	0	113.1	L387 D389	L387-G391 PolarHBondContact N-O 2.9Å; D389-G391 VanDerWaalsContact C-N 3.3Å; D389-G391 WeakPolarHBondContact OD1-CA 3.37Å; D389-G391 PolarHBondContact OD1-N 2.84Å
392	Y	95.9	Very high	95.4	Very high	54 Å²	54	41.3 Å²	41.3	21%	0.212	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.5	176.4	-164.6	-100.6	0	0	0	110.4	G384 K385 Q386 L394 G434 R435 T436	G384-Y392 VanDerWaalsContact C-OH 3.27Å; G384-Y392 WeakPolarHBondContact CA-OH 3.42Å; K385-Y392 VanDerWaalsContact C-CD2 3.46Å; K385-Y392 PolarHBondContact N-OH 3.04Å; K385-Y392 VanDerWaalsContact O-CD2 3.23Å; K385-Y392 WeakPolarHBondContact O-CD2 3.42Å; K385-Y392 WeakPolarHBondContact O-CE2 3.14Å; Q386-Y392 HydrophobicContact CG-CD2 3.97Å; Q386-Y392 HydrophobicContact CG-CE2 4.22Å; Y392-L394 HydrophobicContact CD1-CD2 4.34Å; Y392-L394 PolarHBondContact O-N 2.61Å; Y392-G434 PolarHBondContact OH-O 3.17Å; Y392-R435 VanDerWaalsContact OH-CA 3.24Å; Y392-R435 WeakPolarHBondContact OH-CA 3.13Å; Y392-T436 WeakPolarHBondContact CE2-O 3.34Å; Y392-T436 PolarHBondContact OH-N 3.25Å
393	Q	96.8	Very high	95.1	Very high	24 Å²	24	38.1 Å²	38.1	11%	0.112	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	119.2	171.5	-174.4	174.3	-81.7	0	0	108.3	N76 Q382 C383 G384 K385 L387	N76-Q393 PolarHBondContact ND2-OE1 3.05Å; N76-Q393 PolarHBondContact OD1-NE2 3.28Å; N76-Q393 PolarHBondContact OD1-OE1 2.89Å; Q382-Q393 HydrophobicContact CG-CG 3.86Å; C383-Q393 PolarHBondContact O-NE2 3.22Å; G384-Q393 WeakPolarHBondContact CA-O 3.42Å; K385-Q393 HydrophobicContact CG-CB 3.82Å; K385-Q393 HydrophobicContact CG-CG 4.5Å; K385-Q393 PolarHBondContact N-O 3.46Å; K385-Q393 PolarHBondContact O-N 3.34Å; L387-Q393 HydrophobicContact CD1-CB 4.48Å; L387-Q393 HydrophobicContact CD2-CB 4.07Å; L387-Q393 HydrophobicContact CG-CB 4.25Å
394	L	96.8	Very high	94.6	Very high	48 Å²	48	40.9 Å²	40.9	25%	0.251	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-77.9	137.9	-179.1	-66.4	173.6	0	0	0	111.4	T359 Y362 Q382 Y392	T359-L394 HydrophobicContact CG2-CD1 3.76Å; T359-L394 VanDerWaalsContact O-CD2 3.27Å; T359-L394 WeakPolarHBondContact O-CD2 3.36Å; Y362-L394 HydrophobicContact CE2-CD1 4.44Å; Q382-L394 PolarHBondContact NE2-O 3.39Å; Y392-L394 HydrophobicContact CD1-CD2 4.34Å; Y392-L394 PolarHBondContact O-N 2.61Å
395	P	97.3	Very high	93.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-66.2	143	175.5	23.6	-31.9	0	0	0	112.4	L360 G361 Y362 Q382 S431 L432	L360-P395 VanDerWaalsContact O-CD 3.31Å; L360-P395 WeakPolarHBondContact O-CD 3.2Å; L360-P395 WeakPolarHBondContact O-CG 3.47Å; G361-P395 VanDerWaalsContact CA-O 3.26Å; G361-P395 WeakPolarHBondContact CA-O 3.07Å; Y362-P395 PolarHBondContact N-O 3.07Å; Q382-P395 CarbonylContact O-C 3.12Å; Q382-P395 WeakPolarHBondContact O-CA 3.33Å; P395-S431 WeakPolarHBondContact CG-O 3.33Å; P395-L432 HydrophobicContact CG-CD2 4.08Å
396	V	97.6	Very high	92.6	Very high	18 Å²	18	49.2 Å²	49.2	11%	0.109	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.7	172.1	-179.7	0	0	0	0	107.7	F29 Y362 Y364 I381 Q382	F29-V396 HydrophobicContact CD1-CG1 4.45Å; Y362-V396 HydrophobicContact CD2-CG2 4.28Å; Y362-V396 WeakPolarHBondContact O-CA 3.49Å; Y364-V396 HydrophobicContact CD2-CG1 3.93Å; Y364-V396 HydrophobicContact CE2-CG1 3.6Å; I381-V396 WeakPolarHBondContact CA-O 3.27Å; I381-V396 HydrophobicContact CB-CB 4.3Å; I381-V396 HydrophobicContact CB-CG1 4.13Å; I381-V396 WeakPolarHBondContact CB-O 3.21Å; I381-V396 PolarHBondContact N-O 3.31Å; Q382-V396 HydrophobicContact CB-CB 3.9Å; Q382-V396 HydrophobicContact CB-CG2 4.02Å; Q382-V396 PolarHBondContact N-O 3.31Å; Q382-V396 VanDerWaalsContact N-O 3.13Å; Q382-V396 PolarHBondContact O-N 3.01Å
397	V	97.6	Very high	91.5	Very high	0 Å²	0	50 Å²	50	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155.4	-177.2	-58.5	0	0	0	0	111.7	Y362 I363 Y364 F379 A428	Y362-V397 WeakPolarHBondContact O-CG2 3.44Å; Y362-V397 PolarHBondContact O-N 3.48Å; I363-V397 CarbonylContact C-O 3.42Å; I363-V397 WeakPolarHBondContact CA-O 3.31Å; I363-V397 HydrophobicContact CB-CG2 3.93Å; I363-V397 HydrophobicContact CD1-CG2 4.43Å; I363-V397 HydrophobicContact CG1-CG2 3.6Å; I363-V397 HydrophobicContact CG2-CG2 3.92Å; Y364-V397 PolarHBondContact N-O 2.95Å; F379-V397 CarbonylContact O-C 3.57Å; F379-V397 WeakPolarHBondContact O-CA 3.19Å; V397-A428 HydrophobicContact CG2-CB 4Å
398	V	97.6	Very high	90.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.6	173.7	177.1	0	0	0	0	108.9	F29 L91 W343 Y364 H378 F379 I381	F29-V398 HydrophobicContact CE1-CG2 3.52Å; F29-V398 HydrophobicContact CZ-CG2 3.78Å; L91-V398 HydrophobicContact CD1-CG1 3.82Å; W343-V398 HydrophobicContact CH2-CB 4.4Å; W343-V398 HydrophobicContact CH2-CG1 3.61Å; W343-V398 HydrophobicContact CH2-CG2 3.83Å; W343-V398 HydrophobicContact CZ2-CG1 3.88Å; W343-V398 HydrophobicContact CZ3-CG2 4.35Å; Y364-V398 CarbonylContact O-C 3.56Å; Y364-V398 VanDerWaalsContact O-CA 3.27Å; Y364-V398 WeakPolarHBondContact O-CA 3.34Å; H378-V398 WeakPolarHBondContact CA-O 3.08Å; F379-V398 HydrophobicContact CB-CB 4.25Å; F379-V398 HydrophobicContact CD2-CB 4.43Å; F379-V398 HydrophobicContact CD2-CG1 4.47Å; F379-V398 PolarHBondContact N-O 2.89Å; F379-V398 PolarHBondContact O-N 3Å; I381-V398 HydrophobicContact CD1-CG2 3.88Å; I381-V398 HydrophobicContact CG1-CG2 3.54Å
399	L	97.6	Very high	89.3	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.6	168.8	-58.3	-174.4	0	0	0	109.1	I363 Y364 C365 D366 H378 F401 E424 I425 A428	I363-L399 HydrophobicContact CG2-CD1 3.92Å; I363-L399 HydrophobicContact CG2-CG 3.84Å; Y364-L399 PolarHBondContact O-N 2.74Å; C365-L399 WeakPolarHBondContact CA-O 3.46Å; D366-L399 PolarHBondContact N-O 2.67Å; H378-L399 HydrophobicContact CB-CD2 3.92Å; L399-F401 HydrophobicContact CB-CE2 3.76Å; L399-F401 HydrophobicContact CB-CZ 4.01Å; L399-F401 HydrophobicContact CD1-CZ 4.37Å; L399-E424 HydrophobicContact CD1-CB 4.48Å; L399-E424 HydrophobicContact CD2-CB 4.03Å; L399-I425 HydrophobicContact CD1-CD1 3.56Å; L399-I425 HydrophobicContact CD1-CG1 4.16Å; L399-A428 HydrophobicContact CD1-CB 4.21Å; L399-A428 HydrophobicContact CD2-CB 4.08Å; L399-A428 HydrophobicContact CG-CB 4.45Å
400	S	95.5	Very high	88.8	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134.8	179.2	174.1	0	0	0	0	109.3	L91 K373 G375 D376 S377	L91-S400 WeakPolarHBondContact CD2-OG 3.09Å; K373-S400 WeakPolarHBondContact CE-OG 3.49Å; G375-S400 PolarHBondContact O-OG 3.42Å; D376-S400 CarbonylContact C-O 3.48Å; D376-S400 WeakPolarHBondContact CA-O 3.44Å; S377-S400 PolarHBondContact N-O 2.66Å; S377-S400 PolarHBondContact O-N 2.87Å
401	F	94.5	Very high	88.7	Confident	2 Å²	2	44 Å²	44	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	163.5	175	-55.7	-72.8	0	0	0	111.6	D366 W367 K373 D376 L399 L403 V421 E424	D366-F401 PolarHBondContact O-N 2.8Å; W367-F401 CarbonylContact C-O 2.92Å; W367-F401 HydrophobicContact CD2-CD2 4.29Å; W367-F401 AromaticContact CE3-CD2 3.53Å; W367-F401 HydrophobicContact CE3-CD2 3.53Å; W367-F401 HydrophobicContact CE3-CE2 4.04Å; W367-F401 HydrophobicContact CE3-CG 4.31Å; W367-F401 HydrophobicContact CH2-CD2 4.36Å; W367-F401 HydrophobicContact CH2-CE2 4.03Å; W367-F401 AromaticContact CZ3-CD2 3.58Å; W367-F401 HydrophobicContact CZ3-CD2 3.58Å; W367-F401 AromaticContact CZ3-CE2 3.61Å; W367-F401 HydrophobicContact CZ3-CE2 3.61Å; W367-F401 HydrophobicContact CZ3-CG 4.44Å; W367-F401 CarbonylContact O-C 3.6Å; W367-F401 VanDerWaalsContact O-O 3.05Å; K373-F401 VanDerWaalsContact CE-O 3.26Å; K373-F401 WeakPolarHBondContact CE-O 3.49Å; K373-F401 PolarHBondContact NZ-O 2.82Å; D376-F401 HydrophobicContact CB-CD1 4.22Å; D376-F401 VanDerWaalsContact OD1-CA 3.31Å; D376-F401 WeakPolarHBondContact OD1-CA 3.27Å; L399-F401 HydrophobicContact CB-CE2 3.76Å; L399-F401 HydrophobicContact CB-CZ 4.01Å; L399-F401 HydrophobicContact CD1-CZ 4.37Å; F401-L403 HydrophobicContact CB-CG 4.46Å; F401-V421 HydrophobicContact CD1-CG2 3.87Å; F401-V421 HydrophobicContact CE1-CB 4.1Å; F401-V421 HydrophobicContact CE1-CG1 4.48Å; F401-V421 HydrophobicContact CE1-CG2 3.65Å; F401-V421 HydrophobicContact CE2-CG1 4.47Å; F401-V421 HydrophobicContact CE2-CG2 4.31Å; F401-V421 HydrophobicContact CG-CG2 4.3Å; F401-V421 HydrophobicContact CZ-CB 4.14Å; F401-V421 HydrophobicContact CZ-CG1 4.01Å; F401-V421 HydrophobicContact CZ-CG2 3.88Å; F401-E424 HydrophobicContact CE1-CB 3.84Å; F401-E424 HydrophobicContact CE1-CG 3.63Å; F401-E424 HydrophobicContact CZ-CB 3.82Å; F401-E424 HydrophobicContact CZ-CG 4.12Å
402	R	91.5	Very high	88.3	Confident	115 Å²	115	47.7 Å²	47.7	43%	0.434	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	58.1	176.8	-63.1	-172.9	71.4	-169.9	-2.8	113.2	D369 I374 D376	D369-R402 HydrophobicContact CB-CB 4.13Å; D369-R402 VanDerWaalsContact CG-NE 3.35Å; D369-R402 IonicContact OD1-CZ 3.7Å; D369-R402 IonicContact OD1-NE 3.85Å; D369-R402 PolarHBondContact OD1-NE 3.38Å; D369-R402 IonicContact OD1-NH2 2.7Å; D369-R402 PolarHBondContact OD1-NH2 3.21Å; D369-R402 IonicContact OD2-CZ 3.95Å; D369-R402 IonicContact OD2-NE 3.06Å; D369-R402 IonicContact OD2-NH2 3.33Å; D369-R402 PolarHBondContact OD2-NH2 3Å; I374-R402 WeakPolarHBondContact O-CD 3.36Å; I374-R402 WeakPolarHBondContact O-CG 3.4Å; D376-R402 PolarHBondContact OD1-N 3.33Å
403	L	90	Very high	87.9	Confident	7 Å²	7	45.1 Å²	45.1	4%	0.037	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	147	173.5	-54.6	-176.8	0	0	0	111.1	L313 W367 Y368 D369 F401 T411 L413 Q417	L313-L403 HydrophobicContact CD2-CD1 4.34Å; W367-L403 HydrophobicContact CB-CD1 4.3Å; W367-L403 HydrophobicContact CE3-CD1 3.94Å; W367-L403 VanDerWaalsContact O-CB 3.31Å; W367-L403 WeakPolarHBondContact O-CB 3.43Å; W367-L403 WeakPolarHBondContact O-CG 3.22Å; W367-L403 PolarHBondContact O-N 3.47Å; Y368-L403 WeakPolarHBondContact CA-O 3.45Å; Y368-L403 HydrophobicContact CD1-CB 4.33Å; D369-L403 PolarHBondContact N-O 3.22Å; F401-L403 HydrophobicContact CB-CG 4.46Å; L403-T411 HydrophobicContact CB-CG2 4.45Å; L403-T411 HydrophobicContact CD1-CG2 3.83Å; L403-L413 HydrophobicContact CD1-CD2 3.52Å; L403-L413 HydrophobicContact CD2-CD2 3.68Å; L403-L413 HydrophobicContact CG-CD2 4.26Å; L403-Q417 HydrophobicContact CD2-CB 4.34Å; L403-Q417 HydrophobicContact CD2-CG 4.13Å
404	A	85.8	Confident	87.2	Confident	62 Å²	62	45.3 Å²	45.3	51%	0.512	23%	0.232	S	C	.	.			trans	-57.6	131.5	176.8	0	0	0	0	0	110.4	Q406	A404-Q406 PolarHBondContact O-N 2.9Å
405	P	74.9	Confident	86.5	Confident	97 Å²	97	44.3 Å²	44.3	63%	0.63	23%	0.226	S	C	*	.	S	Bend	trans	-61	109.4	-177.8	-24.2	33.8	0	0	0	111.8
406	Q	75	Confident	85.7	Confident	97 Å²	97	47.4 Å²	47.4	45%	0.453	25%	0.247	S	C	.	.			trans	-140.8	172.1	176.4	-66.9	-176.2	-9.6	0	0	108.6	A404 E410	A404-Q406 PolarHBondContact O-N 2.9Å; Q406-E410 HydrophobicContact CB-CB 4.4Å; Q406-E410 PolarHBondContact OE1-O 3.49Å
407	K	72.2	Confident	85.3	Confident	111 Å²	111	49 Å²	49	48%	0.483	25%	0.254	S	S	.	.			trans	-68.8	149.4	168.4	-59	-173	-157.2	135.6	0	109.5	E409 E410 T411	K407-E409 VanDerWaalsContact C-N 3.26Å; K407-E409 HydrophobicContact CB-CG 4.34Å; K407-E409 WeakPolarHBondContact CB-OE1 3.06Å; K407-E409 WeakPolarHBondContact CD-OE1 3.39Å; K407-E409 PolarHBondContact O-N 3.25Å; K407-E410 HydrophobicContact CB-CB 4.24Å; K407-E410 HydrophobicContact CB-CG 4.3Å; K407-E410 IonicContact NZ-OE1 2.81Å; K407-E410 PolarHBondContact NZ-OE1 2.97Å; K407-E410 CarbonylContact O-C 3.57Å; K407-E410 WeakPolarHBondContact O-CA 3.36Å; K407-E410 WeakPolarHBondContact O-CB 3.34Å; K407-E410 PolarHBondContact O-N 2.97Å; K407-T411 PolarHBondContact O-N 2.97Å; K407-T411 PolarHBondContact O-OG1 3.22Å
408	P	66.8	Low	84.9	Confident	74 Å²	74	49.1 Å²	49.1	48%	0.481	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-51	-43.4	179.2	-26.6	33.6	0	0	0	113.9	Y368 E410 T411	Y368-P408 VanDerWaalsContact OH-CA 3.25Å; Y368-P408 WeakPolarHBondContact OH-CA 3.41Å; P408-E410 PolarHBondContact O-N 3.41Å; P408-T411 PolarHBondContact O-N 2.88Å; P408-T411 VanDerWaalsContact O-N 3.17Å
409	E	72.8	Confident	84.5	Confident	97 Å²	97	50.2 Å²	50.2	45%	0.453	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-68.4	-19.9	178.9	63.3	-85.3	-163.8	0	0	114.2	R312 K407	R312-E409 PolarHBondContact NE-O 3.13Å; R312-E409 PolarHBondContact NH2-O 3.43Å; K407-E409 VanDerWaalsContact C-N 3.26Å; K407-E409 HydrophobicContact CB-CG 4.34Å; K407-E409 WeakPolarHBondContact CB-OE1 3.06Å; K407-E409 WeakPolarHBondContact CD-OE1 3.39Å; K407-E409 PolarHBondContact O-N 3.25Å
410	E	83.1	Confident	84.2	Confident	85 Å²	85	53.2 Å²	53.2	40%	0.397	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-100	-3	178.1	-68.5	166.4	-160.8	0	0	111.6	Q406 K407 P408 Y412	Q406-E410 HydrophobicContact CB-CB 4.4Å; Q406-E410 PolarHBondContact OE1-O 3.49Å; K407-E410 HydrophobicContact CB-CB 4.24Å; K407-E410 HydrophobicContact CB-CG 4.3Å; K407-E410 IonicContact NZ-OE1 2.81Å; K407-E410 PolarHBondContact NZ-OE1 2.97Å; K407-E410 CarbonylContact O-C 3.57Å; K407-E410 WeakPolarHBondContact O-CA 3.36Å; K407-E410 WeakPolarHBondContact O-CB 3.34Å; K407-E410 PolarHBondContact O-N 2.97Å; P408-E410 PolarHBondContact O-N 3.41Å; E410-Y412 WeakPolarHBondContact O-CD2 3.3Å; E410-Y412 WeakPolarHBondContact O-CE2 3.17Å
411	T	88.5	Confident	84.2	Confident	3 Å²	3	53.2 Å²	53.2	2%	0.018	28%	0.275	C	S	.	.			trans	-88.1	130.9	-174.6	-58.2	0	0	0	0	111.6	R312 L313 Y368 L403 K407 P408	R312-T411 WeakPolarHBondContact CA-O 3.46Å; L313-T411 HydrophobicContact CB-CG2 4.12Å; L313-T411 HydrophobicContact CD2-CG2 3.98Å; L313-T411 PolarHBondContact N-O 3.24Å; Y368-T411 HydrophobicContact CE1-CG2 3.98Å; Y368-T411 WeakPolarHBondContact CE1-OG1 3.17Å; Y368-T411 PolarHBondContact OH-OG1 3.45Å; L403-T411 HydrophobicContact CB-CG2 4.45Å; L403-T411 HydrophobicContact CD1-CG2 3.83Å; K407-T411 PolarHBondContact O-N 2.97Å; K407-T411 PolarHBondContact O-OG1 3.22Å; P408-T411 PolarHBondContact O-N 2.88Å; P408-T411 VanDerWaalsContact O-N 3.17Å
412	Y	87.4	Confident	84.2	Confident	107 Å²	107	53.1 Å²	53.1	42%	0.42	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	140.5	179.5	-62.4	-99.1	0	0	0	111.4	L311 R312 E410	L311-Y412 CarbonylContact O-C 3.6Å; L311-Y412 WeakPolarHBondContact O-CA 3.17Å; R312-Y412 HydrophobicContact CB-CD1 4.42Å; R312-Y412 HydrophobicContact CB-CE1 4.41Å; R312-Y412 HydrophobicContact CG-CD1 3.51Å; R312-Y412 HydrophobicContact CG-CE1 3.12Å; R312-Y412 HydrophobicContact CG-CE2 4.49Å; R312-Y412 HydrophobicContact CG-CG 4.38Å; E410-Y412 WeakPolarHBondContact O-CD2 3.3Å; E410-Y412 WeakPolarHBondContact O-CE2 3.17Å
413	L	86.5	Confident	84.5	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.3	171.6	-56.3	175.6	0	0	0	109	Y310 L311 L313 F316 L403 Q417 V421	Y310-L413 CarbonylContact C-O 3.47Å; Y310-L413 VanDerWaalsContact CA-O 3.32Å; Y310-L413 WeakPolarHBondContact CA-O 3.48Å; L311-L413 HydrophobicContact CB-CB 4.45Å; L311-L413 PolarHBondContact N-O 2.55Å; L311-L413 PolarHBondContact O-N 2.85Å; L313-L413 HydrophobicContact CD1-CD1 4.21Å; L313-L413 HydrophobicContact CD1-CD2 4.36Å; L313-L413 HydrophobicContact CD1-CG 4.44Å; F316-L413 HydrophobicContact CB-CD1 3.99Å; F316-L413 HydrophobicContact CD1-CD1 3.94Å; F316-L413 HydrophobicContact CD2-CD1 4.28Å; F316-L413 HydrophobicContact CG-CD1 3.77Å; L403-L413 HydrophobicContact CD1-CD2 3.52Å; L403-L413 HydrophobicContact CD2-CD2 3.68Å; L403-L413 HydrophobicContact CG-CD2 4.26Å; L413-Q417 HydrophobicContact CB-CB 4.28Å; L413-Q417 HydrophobicContact CD2-CB 4.25Å; L413-V421 HydrophobicContact CD2-CG2 4.46Å
414	T	83	Confident	84.8	Confident	29 Å²	29	50 Å²	50	18%	0.178	27%	0.265	C	S	.	.			trans	-69.6	167	159.9	65.9	0	0	0	0	110.1	M308 Y310 S416 Q417 L418	M308-T414 HydrophobicContact SD-CG2 4.06Å; Y310-T414 HydrophobicContact CD1-CG2 4.19Å; Y310-T414 HydrophobicContact CE1-CG2 3.68Å; T414-S416 VanDerWaalsContact C-N 3.32Å; T414-S416 PolarHBondContact O-N 3.44Å; T414-Q417 PolarHBondContact O-N 3.46Å; T414-Q417 WeakPolarHBondContact OG1-CG 3.38Å; T414-Q417 PolarHBondContact OG1-N 3.05Å; T414-Q417 PolarHBondContact OG1-OE1 2.93Å; T414-L418 PolarHBondContact O-N 2.9Å
415	H	80.4	Confident	85.4	Confident	27 Å²	27	47.1 Å²	47.1	13%	0.125	24%	0.241	C	C	.	.	H	α-helix	trans	-57.9	-42.4	174.2	-179.6	-106.3	0	0	0	113	Q417 L418 Q419 A462 L477 M480	H415-Q417 PolarHBondContact O-N 3.42Å; H415-L418 WeakPolarHBondContact O-CB 3.31Å; H415-L418 PolarHBondContact O-N 3.08Å; H415-L418 VanDerWaalsContact O-N 3.17Å; H415-Q419 PolarHBondContact CE1-NE2 2.7Å; H415-Q419 WeakPolarHBondContact O-CG 3.37Å; H415-Q419 PolarHBondContact O-N 3.49Å; H415-A462 PolarHBondContact NE2-O 3.33Å; H415-L477 HydrophobicContact CB-CD2 4.48Å; H415-L477 VanDerWaalsContact CD2-CD2 3.46Å; H415-L477 WeakPolarHBondContact CD2-CD2 3.29Å; H415-M480 HydrophobicContact CB-CE 3.84Å
416	S	81.2	Confident	86.5	Confident	65 Å²	65	42.5 Å²	42.5	46%	0.455	21%	0.211	S	C	.	.	H	α-helix	trans	-63.5	-39.4	174.7	170.9	0	0	0	0	112.7	T414 L418 Q419 N420	T414-S416 VanDerWaalsContact C-N 3.32Å; T414-S416 PolarHBondContact O-N 3.44Å; S416-L418 VanDerWaalsContact C-N 3.33Å; S416-L418 PolarHBondContact O-N 3.01Å; S416-Q419 WeakPolarHBondContact O-CB 3.25Å; S416-Q419 PolarHBondContact O-N 2.96Å; S416-N420 PolarHBondContact O-N 3.29Å; S416-N420 VanDerWaalsContact O-N 3.09Å; S416-N420 PolarHBondContact O-OD1 3.42Å
417	Q	88.6	Confident	87.5	Confident	52 Å²	52	38.8 Å²	38.8	24%	0.243	19%	0.193	C	C	.	.	H	α-helix	trans	-66.3	-36.2	174	-72.2	169.6	-29.5	0	0	111.9	L403 L413 T414 H415 N420 V421	L403-Q417 HydrophobicContact CD2-CB 4.34Å; L403-Q417 HydrophobicContact CD2-CG 4.13Å; L413-Q417 HydrophobicContact CB-CB 4.28Å; L413-Q417 HydrophobicContact CD2-CB 4.25Å; T414-Q417 PolarHBondContact O-N 3.46Å; T414-Q417 WeakPolarHBondContact OG1-CG 3.38Å; T414-Q417 PolarHBondContact OG1-N 3.05Å; T414-Q417 PolarHBondContact OG1-OE1 2.93Å; H415-Q417 PolarHBondContact O-N 3.42Å; Q417-N420 PolarHBondContact O-N 2.92Å; Q417-V421 WeakPolarHBondContact O-CB 3.49Å; Q417-V421 WeakPolarHBondContact O-CG2 3.44Å; Q417-V421 PolarHBondContact O-N 3Å
418	L	89.6	Confident	88.7	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-43.3	174.3	172.8	62.9	0	0	0	111.5	L311 F316 T414 H415 S416 V421 L422 A462 F472 L474	L311-L418 HydrophobicContact CD2-CD1 4.24Å; L311-L418 HydrophobicContact CD2-CD2 4.34Å; F316-L418 HydrophobicContact CD2-CD1 3.44Å; F316-L418 VanDerWaalsContact CD2-CD1 3.44Å; F316-L418 HydrophobicContact CE2-CD1 3.29Å; F316-L418 HydrophobicContact CZ-CD1 4.28Å; T414-L418 PolarHBondContact O-N 2.9Å; H415-L418 WeakPolarHBondContact O-CB 3.31Å; H415-L418 PolarHBondContact O-N 3.08Å; H415-L418 VanDerWaalsContact O-N 3.17Å; S416-L418 VanDerWaalsContact C-N 3.33Å; S416-L418 PolarHBondContact O-N 3.01Å; L418-V421 PolarHBondContact O-N 3.4Å; L418-L422 HydrophobicContact CD1-CD1 3.89Å; L418-L422 HydrophobicContact CD1-CG 4.18Å; L418-L422 HydrophobicContact CG-CD1 4.04Å; L418-L422 WeakPolarHBondContact O-CB 3.41Å; L418-L422 WeakPolarHBondContact O-CG 3.32Å; L418-L422 PolarHBondContact O-N 2.96Å; L418-A462 HydrophobicContact CG-CB 4.41Å; L418-F472 HydrophobicContact CD2-CD2 4.17Å; L418-F472 HydrophobicContact CD2-CG 4.45Å; L418-L474 HydrophobicContact CD2-CD1 4.01Å
419	Q	89.3	Confident	90.2	Very high	24 Å²	24	30.1 Å²	30.1	11%	0.112	15%	0.149	C	C	.	.	H	α-helix	trans	-58.2	-51.7	174.7	-69.2	167.1	-30.8	0	0	111	H415 S416 V421 L422 H423 A462 Y463	H415-Q419 PolarHBondContact CE1-NE2 2.7Å; H415-Q419 WeakPolarHBondContact O-CG 3.37Å; H415-Q419 PolarHBondContact O-N 3.49Å; S416-Q419 WeakPolarHBondContact O-CB 3.25Å; S416-Q419 PolarHBondContact O-N 2.96Å; Q419-V421 VanDerWaalsContact C-N 3.32Å; Q419-V421 PolarHBondContact O-N 2.92Å; Q419-L422 PolarHBondContact O-N 3.35Å; Q419-L422 VanDerWaalsContact O-N 3.13Å; Q419-H423 PolarHBondContact O-N 2.99Å; Q419-A462 HydrophobicContact CG-CB 3.64Å; Q419-Y463 PolarHBondContact NE2-OH 3.03Å
420	N	91.7	Very high	91.4	Very high	62 Å²	62	25.5 Å²	25.5	33%	0.332	13%	0.127	S	C	.	.	H	α-helix	trans	-59.4	-42.8	178.6	-65.8	4.5	0	0	0	111.7	D376 S416 Q417 L422 H423 E424	D376-N420 WeakPolarHBondContact OD2-CB 3.44Å; D376-N420 PolarHBondContact OD2-ND2 3.38Å; S416-N420 PolarHBondContact O-N 3.29Å; S416-N420 VanDerWaalsContact O-N 3.09Å; S416-N420 PolarHBondContact O-OD1 3.42Å; Q417-N420 PolarHBondContact O-N 2.92Å; N420-L422 VanDerWaalsContact C-N 3.35Å; N420-L422 PolarHBondContact O-N 3.27Å; N420-H423 WeakPolarHBondContact O-CB 3.41Å; N420-H423 PolarHBondContact O-N 3.42Å; N420-E424 WeakPolarHBondContact O-CG 3.22Å; N420-E424 PolarHBondContact O-N 2.92Å
421	V	95	Very high	92	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.006	11%	0.108	C	C	.	.	H	α-helix	trans	-62.3	-43.1	176.9	174.6	0	0	0	0	111.1	F316 W367 F401 L413 Q417 L418 Q419 E424 I425	F316-V421 HydrophobicContact CD1-CG1 4.48Å; F316-V421 HydrophobicContact CE1-CG1 3.42Å; F316-V421 VanDerWaalsContact CE1-CG1 3.42Å; F316-V421 HydrophobicContact CZ-CB 4.36Å; F316-V421 HydrophobicContact CZ-CG1 3.43Å; F316-V421 VanDerWaalsContact CZ-CG1 3.43Å; W367-V421 HydrophobicContact CH2-CG1 4.34Å; W367-V421 HydrophobicContact CZ3-CG1 4.19Å; W367-V421 HydrophobicContact CZ3-CG2 4.14Å; F401-V421 HydrophobicContact CD1-CG2 3.87Å; F401-V421 HydrophobicContact CE1-CB 4.1Å; F401-V421 HydrophobicContact CE1-CG1 4.48Å; F401-V421 HydrophobicContact CE1-CG2 3.65Å; F401-V421 HydrophobicContact CE2-CG1 4.47Å; F401-V421 HydrophobicContact CE2-CG2 4.31Å; F401-V421 HydrophobicContact CG-CG2 4.3Å; F401-V421 HydrophobicContact CZ-CB 4.14Å; F401-V421 HydrophobicContact CZ-CG1 4.01Å; F401-V421 HydrophobicContact CZ-CG2 3.88Å; L413-V421 HydrophobicContact CD2-CG2 4.46Å; Q417-V421 WeakPolarHBondContact O-CB 3.49Å; Q417-V421 WeakPolarHBondContact O-CG2 3.44Å; Q417-V421 PolarHBondContact O-N 3Å; L418-V421 PolarHBondContact O-N 3.4Å; Q419-V421 VanDerWaalsContact C-N 3.32Å; Q419-V421 PolarHBondContact O-N 2.92Å; V421-E424 PolarHBondContact O-N 3.41Å; V421-I425 HydrophobicContact CG1-CG1 4.39Å; V421-I425 WeakPolarHBondContact O-CB 3.45Å; V421-I425 WeakPolarHBondContact O-CG1 3.4Å; V421-I425 PolarHBondContact O-N 2.73Å
422	L	95.8	Very high	92.5	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.9	-37.1	177.2	-74	167.7	0	0	0	112.6	F316 L320 L418 Q419 N420 I425 G426 M458 A462 F472	F316-L422 HydrophobicContact CE2-CD2 4.31Å; F316-L422 HydrophobicContact CE2-CG 4.48Å; F316-L422 HydrophobicContact CZ-CD2 4.48Å; L320-L422 HydrophobicContact CD1-CD2 3.95Å; L418-L422 HydrophobicContact CD1-CD1 3.89Å; L418-L422 HydrophobicContact CD1-CG 4.18Å; L418-L422 HydrophobicContact CG-CD1 4.04Å; L418-L422 WeakPolarHBondContact O-CB 3.41Å; L418-L422 WeakPolarHBondContact O-CG 3.32Å; L418-L422 PolarHBondContact O-N 2.96Å; Q419-L422 PolarHBondContact O-N 3.35Å; Q419-L422 VanDerWaalsContact O-N 3.13Å; N420-L422 VanDerWaalsContact C-N 3.35Å; N420-L422 PolarHBondContact O-N 3.27Å; L422-I425 PolarHBondContact O-N 3.05Å; L422-G426 PolarHBondContact O-N 3.39Å; L422-M458 HydrophobicContact CB-CB 4.47Å; L422-M458 HydrophobicContact CD2-CE 3.83Å; L422-M458 WeakPolarHBondContact O-CB 3.36Å; L422-A462 HydrophobicContact CD1-CB 3.84Å; L422-F472 HydrophobicContact CD1-CE2 4.32Å; L422-F472 HydrophobicContact CD1-CZ 4.31Å; L422-F472 HydrophobicContact CD2-CZ 4.47Å
423	H	96.3	Very high	92.9	Very high	35 Å²	35	16.4 Å²	16.4	16%	0.162	9%	0.088	C	C	.	.	H	α-helix	trans	-55.7	-54	172.9	-176.5	100.2	0	0	0	110.9	Q419 N420 I425 G426 H427 E452 S455 E459	Q419-H423 PolarHBondContact O-N 2.99Å; N420-H423 WeakPolarHBondContact O-CB 3.41Å; N420-H423 PolarHBondContact O-N 3.42Å; H423-I425 VanDerWaalsContact C-N 3.3Å; H423-I425 PolarHBondContact O-N 3.05Å; H423-G426 WeakPolarHBondContact O-CA 3.39Å; H423-G426 PolarHBondContact O-N 2.94Å; H423-H427 AromaticContact CD2-CD2 3.86Å; H423-H427 AromaticContact CD2-NE2 3.73Å; H423-H427 AromaticContact NE2-CD2 3.87Å; H423-H427 AromaticContact NE2-NE2 3.24Å; H423-H427 PolarHBondContact NE2-NE2 3.1Å; H423-H427 PolarHBondContact O-N 3.1Å; H423-E452 IonicContact CE1-OE2 3.17Å; H423-E452 IonicContact NE2-OE2 3.99Å; H423-S455 PolarHBondContact CE1-OG 3.06Å; H423-S455 VanDerWaalsContact CE1-OG 3.28Å; H423-S455 PolarHBondContact NE2-OG 3.25Å; H423-S455 WeakPolarHBondContact O-CA 3.49Å; H423-S455 WeakPolarHBondContact O-CB 3.35Å; H423-E459 HydrophobicContact CB-CG 3.92Å; H423-E459 IonicContact CE1-OE1 2.6Å; H423-E459 IonicContact CG-OE1 3.81Å; H423-E459 IonicContact ND1-OE1 2.86Å; H423-E459 PolarHBondContact ND1-OE1 3.4Å
424	E	97.6	Very high	93.2	Very high	20 Å²	20	16.4 Å²	16.4	9%	0.093	9%	0.088	C	C	.	.	H	α-helix	trans	-64.2	-34.4	179.3	-64.9	-54.5	155.8	0	0	112.6	H378 L399 F401 N420 V421 G426 H427 A428	H378-E424 WeakPolarHBondContact CA-OE2 3.46Å; H378-E424 WeakPolarHBondContact CB-OE2 3.3Å; H378-E424 PolarHBondContact N-OE2 3.11Å; L399-E424 HydrophobicContact CD1-CB 4.48Å; L399-E424 HydrophobicContact CD2-CB 4.03Å; F401-E424 HydrophobicContact CE1-CB 3.84Å; F401-E424 HydrophobicContact CE1-CG 3.63Å; F401-E424 HydrophobicContact CZ-CB 3.82Å; F401-E424 HydrophobicContact CZ-CG 4.12Å; N420-E424 WeakPolarHBondContact O-CG 3.22Å; N420-E424 PolarHBondContact O-N 2.92Å; V421-E424 PolarHBondContact O-N 3.41Å; E424-G426 VanDerWaalsContact C-N 3.3Å; E424-G426 PolarHBondContact O-N 2.93Å; E424-H427 PolarHBondContact O-N 3.38Å; E424-H427 IonicContact OE2-CD2 2.66Å; E424-A428 PolarHBondContact O-N 2.72Å
425	I	97.7	Very high	93.8	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.015	9%	0.094	C	C	.	.	H	α-helix	trans	-62.5	-37.6	171.9	-70.7	-72.4	0	0	0	111.1	L320 W350 L399 V421 L422 H423 H427 A428 L429 M458	L320-I425 HydrophobicContact CD1-CG2 4.47Å; L320-I425 HydrophobicContact CD2-CD1 4Å; L320-I425 HydrophobicContact CD2-CG1 4.15Å; W350-I425 HydrophobicContact CZ3-CD1 3.82Å; L399-I425 HydrophobicContact CD1-CD1 3.56Å; L399-I425 HydrophobicContact CD1-CG1 4.16Å; V421-I425 HydrophobicContact CG1-CG1 4.39Å; V421-I425 WeakPolarHBondContact O-CB 3.45Å; V421-I425 WeakPolarHBondContact O-CG1 3.4Å; V421-I425 PolarHBondContact O-N 2.73Å; L422-I425 PolarHBondContact O-N 3.05Å; H423-I425 VanDerWaalsContact C-N 3.3Å; H423-I425 PolarHBondContact O-N 3.05Å; I425-H427 PolarHBondContact O-N 2.95Å; I425-A428 PolarHBondContact O-N 2.87Å; I425-L429 HydrophobicContact CG2-CD1 3.92Å; I425-L429 HydrophobicContact CG2-CG 4.09Å; I425-L429 WeakPolarHBondContact O-CB 3.26Å; I425-L429 VanDerWaalsContact O-CG 3.26Å; I425-L429 WeakPolarHBondContact O-CG 3.42Å; I425-L429 PolarHBondContact O-N 3.26Å; I425-M458 HydrophobicContact CG2-CE 4.36Å
426	G	97.5	Very high	94.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-60.4	-42.2	175.1	0	0	0	0	0	112.9	L422 H423 E424 L429 H430	L422-G426 PolarHBondContact O-N 3.39Å; H423-G426 WeakPolarHBondContact O-CA 3.39Å; H423-G426 PolarHBondContact O-N 2.94Å; E424-G426 VanDerWaalsContact C-N 3.3Å; E424-G426 PolarHBondContact O-N 2.93Å; G426-L429 PolarHBondContact O-N 3.08Å; G426-H430 PolarHBondContact O-N 3.49Å
427	H	96.8	Very high	95.2	Very high	18 Å²	18	17.4 Å²	17.4	8%	0.083	8%	0.077	C	C	.	.	H	α-helix	trans	-64.4	-42.4	172.6	-68.8	-50.5	0	0	0	112.7	H378 H423 E424 I425 L429 H430 S431 T444 A451 E452 S455	H378-H427 HydrophobicContact CB-CB 3.9Å; H423-H427 AromaticContact CD2-CD2 3.86Å; H423-H427 AromaticContact CD2-NE2 3.73Å; H423-H427 AromaticContact NE2-CD2 3.87Å; H423-H427 AromaticContact NE2-NE2 3.24Å; H423-H427 PolarHBondContact NE2-NE2 3.1Å; H423-H427 PolarHBondContact O-N 3.1Å; E424-H427 PolarHBondContact O-N 3.38Å; E424-H427 IonicContact OE2-CD2 2.66Å; I425-H427 PolarHBondContact O-N 2.95Å; H427-L429 PolarHBondContact O-N 3.3Å; H427-H430 PolarHBondContact O-N 2.97Å; H427-S431 PolarHBondContact O-N 2.91Å; H427-S431 VanDerWaalsContact O-N 3.08Å; H427-S431 PolarHBondContact O-OG 3.21Å; H427-T444 HydrophobicContact CB-CG2 4.49Å; H427-A451 PolarHBondContact CE1-O 3.31Å; H427-A451 PolarHBondContact ND1-O 3.02Å; H427-E452 IonicContact CE1-OE1 2.84Å; H427-E452 IonicContact CE1-OE2 2.64Å; H427-E452 IonicContact NE2-OE2 2.75Å; H427-S455 PolarHBondContact CE1-OG 3.41Å; H427-S455 VanDerWaalsContact CE1-OG 3.22Å; H427-S455 PolarHBondContact NE2-OG 2.89Å
428	A	98	Very high	95.6	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60.7	-44.8	176.1	0	0	0	0	0	111.6	I363 V397 L399 E424 I425 H430 S431 L432	I363-A428 HydrophobicContact CD1-CB 4Å; V397-A428 HydrophobicContact CG2-CB 4Å; L399-A428 HydrophobicContact CD1-CB 4.21Å; L399-A428 HydrophobicContact CD2-CB 4.08Å; L399-A428 HydrophobicContact CG-CB 4.45Å; E424-A428 PolarHBondContact O-N 2.72Å; I425-A428 PolarHBondContact O-N 2.87Å; A428-H430 VanDerWaalsContact C-N 3.33Å; A428-H430 PolarHBondContact O-N 3.19Å; A428-S431 WeakPolarHBondContact O-CB 3.26Å; A428-S431 PolarHBondContact O-N 2.87Å; A428-L432 WeakPolarHBondContact O-CB 3.33Å; A428-L432 WeakPolarHBondContact O-CG 3.26Å; A428-L432 PolarHBondContact O-N 2.97Å
429	L	97.9	Very high	95.8	Very high	4 Å²	4	15.4 Å²	15.4	2%	0.021	7%	0.068	C	C	.	.	H	α-helix	trans	-61.5	-40.9	176.9	-70	175.6	0	0	0	111.7	L324 Y328 I330 I425 G426 H427 S431 L432 F433 M458	L324-L429 HydrophobicContact CD1-CD2 4.41Å; L324-L429 HydrophobicContact CD2-CD1 3.78Å; Y328-L429 HydrophobicContact CD2-CD1 4.38Å; Y328-L429 HydrophobicContact CE2-CD1 3.93Å; I330-L429 HydrophobicContact CD1-CD2 3.63Å; I425-L429 HydrophobicContact CG2-CD1 3.92Å; I425-L429 HydrophobicContact CG2-CG 4.09Å; I425-L429 WeakPolarHBondContact O-CB 3.26Å; I425-L429 VanDerWaalsContact O-CG 3.26Å; I425-L429 WeakPolarHBondContact O-CG 3.42Å; I425-L429 PolarHBondContact O-N 3.26Å; G426-L429 PolarHBondContact O-N 3.08Å; H427-L429 PolarHBondContact O-N 3.3Å; L429-S431 VanDerWaalsContact C-N 3.31Å; L429-S431 PolarHBondContact O-N 3.45Å; L429-L432 PolarHBondContact O-N 3.48Å; L429-F433 HydrophobicContact CB-CD2 4.27Å; L429-F433 HydrophobicContact CB-CE2 3.95Å; L429-F433 HydrophobicContact CB-CZ 4.35Å; L429-F433 HydrophobicContact CD2-CE1 4.28Å; L429-F433 HydrophobicContact CD2-CE2 4.29Å; L429-F433 HydrophobicContact CD2-CZ 3.84Å; L429-F433 WeakPolarHBondContact O-CB 3.21Å; L429-F433 WeakPolarHBondContact O-CD2 3.34Å; L429-F433 WeakPolarHBondContact O-CG 3.36Å; L429-F433 PolarHBondContact O-N 2.87Å; L429-M458 HydrophobicContact CD1-CG 4.29Å; L429-M458 HydrophobicContact CD1-SD 3.94Å
430	H	97	Very high	96	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-60.1	-42.7	176	-164.3	-179.5	0	0	0	111.6	G426 H427 A428 G434 G443 T444 F450 P454	G426-H430 PolarHBondContact O-N 3.49Å; H427-H430 PolarHBondContact O-N 2.97Å; A428-H430 VanDerWaalsContact C-N 3.33Å; A428-H430 PolarHBondContact O-N 3.19Å; H430-G434 PolarHBondContact O-N 3.17Å; H430-G443 PolarHBondContact NE2-O 3.37Å; H430-G443 WeakPolarHBondContact O-CA 3.45Å; H430-T444 HydrophobicContact CB-CG2 4.26Å; H430-F450 AromaticContact CE1-CE1 3.99Å; H430-P454 HydrophobicContact CB-CB 4.23Å; H430-P454 HydrophobicContact CB-CG 4.09Å
431	S	96.8	Very high	96.1	Very high	1 Å²	1	13 Å²	13	1%	0.007	5%	0.054	C	C	.	.	H	α-helix	trans	-65	-43.1	173.9	-63.5	0	0	0	0	112.7	H378 T380 P395 H427 A428 L429	H378-S431 PolarHBondContact CE1-OG 3.12Å; H378-S431 PolarHBondContact NE2-OG 3.28Å; T380-S431 PolarHBondContact OG1-OG 3.36Å; P395-S431 WeakPolarHBondContact CG-O 3.33Å; H427-S431 PolarHBondContact O-N 2.91Å; H427-S431 VanDerWaalsContact O-N 3.08Å; H427-S431 PolarHBondContact O-OG 3.21Å; A428-S431 WeakPolarHBondContact O-CB 3.26Å; A428-S431 PolarHBondContact O-N 2.87Å; L429-S431 VanDerWaalsContact C-N 3.31Å; L429-S431 PolarHBondContact O-N 3.45Å
432	L	97.5	Very high	96.1	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-71.2	-34.4	-177.6	-70.7	168.2	0	0	0	113.5	I352 I363 P395 A428 L429 R435	I352-L432 HydrophobicContact CB-CD1 4.36Å; I352-L432 HydrophobicContact CG1-CD1 3.78Å; I352-L432 HydrophobicContact CG2-CD1 4.44Å; I363-L432 HydrophobicContact CD1-CD1 3.69Å; I363-L432 HydrophobicContact CG1-CD1 3.85Å; P395-L432 HydrophobicContact CG-CD2 4.08Å; A428-L432 WeakPolarHBondContact O-CB 3.33Å; A428-L432 WeakPolarHBondContact O-CG 3.26Å; A428-L432 PolarHBondContact O-N 2.97Å; L429-L432 PolarHBondContact O-N 3.48Å; L432-R435 PolarHBondContact O-NH1 2.92Å
433	F	96.8	Very high	96	Very high	3 Å²	3	13.1 Å²	13.1	1%	0.013	6%	0.055	C	C	.	.	H	α-helix	trans	-79.8	-23.4	-180	-66	-22.8	0	0	0	113.1	Y328 I330 L360 L429 R435 R584 Q587 S588	Y328-F433 HydrophobicContact CD1-CE2 4.19Å; Y328-F433 HydrophobicContact CD1-CZ 4.23Å; Y328-F433 HydrophobicContact CD2-CE2 4.33Å; Y328-F433 AromaticContact CD2-CZ 3.99Å; Y328-F433 HydrophobicContact CD2-CZ 3.99Å; Y328-F433 HydrophobicContact CE1-CE2 4.45Å; Y328-F433 HydrophobicContact CG-CE2 4.13Å; Y328-F433 AromaticContact CG-CZ 3.75Å; Y328-F433 HydrophobicContact CG-CZ 3.75Å; I330-F433 HydrophobicContact CD1-CE1 3.84Å; I330-F433 HydrophobicContact CD1-CZ 3.86Å; I330-F433 HydrophobicContact CG2-CE1 4.17Å; L360-F433 HydrophobicContact CD1-CD1 4.41Å; L360-F433 HydrophobicContact CD1-CE1 4.27Å; L429-F433 HydrophobicContact CB-CD2 4.27Å; L429-F433 HydrophobicContact CB-CE2 3.95Å; L429-F433 HydrophobicContact CB-CZ 4.35Å; L429-F433 HydrophobicContact CD2-CE1 4.28Å; L429-F433 HydrophobicContact CD2-CE2 4.29Å; L429-F433 HydrophobicContact CD2-CZ 3.84Å; L429-F433 WeakPolarHBondContact O-CB 3.21Å; L429-F433 WeakPolarHBondContact O-CD2 3.34Å; L429-F433 WeakPolarHBondContact O-CG 3.36Å; L429-F433 PolarHBondContact O-N 2.87Å; F433-R435 PolarHBondContact O-N 2.76Å; F433-R584 HydrophobicContact CB-CG 4.44Å; F433-R584 HydrophobicContact CD1-CG 3.88Å; F433-R584 HydrophobicContact CD2-CB 4.13Å; F433-R584 HydrophobicContact CD2-CG 3.87Å; F433-R584 HydrophobicContact CE1-CG 4Å; F433-R584 HydrophobicContact CE2-CB 4.05Å; F433-R584 HydrophobicContact CE2-CG 3.99Å; F433-R584 HydrophobicContact CG-CG 3.82Å; F433-R584 HydrophobicContact CZ-CB 4.41Å; F433-R584 HydrophobicContact CZ-CG 4.05Å; F433-Q587 HydrophobicContact CB-CB 4.1Å; F433-Q587 HydrophobicContact CD2-CB 4.19Å; F433-S588 VanDerWaalsContact O-CA 3.31Å; F433-S588 WeakPolarHBondContact O-CA 3.42Å; F433-S588 WeakPolarHBondContact O-CB 3.27Å
434	G	93.4	Very high	95.9	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.058	C	C	.	.			trans	-50.8	125.6	177.1	0	0	0	0	0	112.6	Y392 H430	Y392-G434 PolarHBondContact OH-O 3.17Å; H430-G434 PolarHBondContact O-N 3.17Å
435	R	95.1	Very high	95.6	Very high	79 Å²	79	15.3 Å²	15.3	30%	0.298	7%	0.066	S	C	.	.			trans	-125.6	40.5	177.1	-68.4	-63.5	175.9	-84.6	5.5	111.1	Y392 L432 F433 S588	Y392-R435 VanDerWaalsContact OH-CA 3.24Å; Y392-R435 WeakPolarHBondContact OH-CA 3.13Å; L432-R435 PolarHBondContact O-NH1 2.92Å; F433-R435 PolarHBondContact O-N 2.76Å; R435-S588 PolarHBondContact N-O 3.06Å
436	T	96.1	Very high	95.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	7%	0.074	C	C	.	.			trans	-76.1	148.7	-174.3	61.8	0	0	0	0	111.9	K385 Q386 Y392 Y438 V441 S442 Y589 E592	K385-T436 WeakPolarHBondContact CA-O 3.45Å; Q386-T436 PolarHBondContact N-O 3.22Å; Y392-T436 WeakPolarHBondContact CE2-O 3.34Å; Y392-T436 PolarHBondContact OH-N 3.25Å; T436-Y438 WeakPolarHBondContact CB-O 3.25Å; T436-Y438 PolarHBondContact OG1-O 3.37Å; T436-V441 HydrophobicContact CG2-CG2 4.36Å; T436-V441 WeakPolarHBondContact CG2-O 3.18Å; T436-S442 WeakPolarHBondContact OG1-CA 3.43Å; T436-Y589 VanDerWaalsContact CG2-O 3.26Å; T436-Y589 WeakPolarHBondContact CG2-O 3.42Å; T436-E592 WeakPolarHBondContact CA-OE1 3.34Å; T436-E592 VanDerWaalsContact CB-CD 3.48Å; T436-E592 WeakPolarHBondContact CB-OE1 3.15Å; T436-E592 HydrophobicContact CG2-CG 3.78Å
437	R	95.5	Very high	94.9	Very high	62 Å²	62	17.3 Å²	17.3	23%	0.234	8%	0.079	C	C	.	.	S	Bend	trans	-65.1	-47	172.7	-174.9	-176.9	-62.6	169.4	1.4	110.7	D130 I132 D133 Q386 E592	D130-R437 IonicContact OD1-NH1 3.93Å; D130-R437 PolarHBondContact OD1-NH1 3.09Å; D130-R437 IonicContact OD2-CZ 2.96Å; D130-R437 IonicContact OD2-NH1 3.04Å; D130-R437 PolarHBondContact OD2-NH1 3.34Å; D130-R437 IonicContact OD2-NH2 3.86Å; D130-R437 PolarHBondContact OD2-NH2 3.32Å; I132-R437 HydrophobicContact CG2-CB 4.46Å; D133-R437 IonicContact OD1-NH1 3.14Å; D133-R437 PolarHBondContact OD1-NH1 3.04Å; D133-R437 VanDerWaalsContact OD1-NH1 3.08Å; D133-R437 IonicContact OD2-NH1 3.59Å; Q386-R437 HydrophobicContact CB-CG 4.49Å; Q386-R437 PolarHBondContact N-O 2.79Å; R437-E592 WeakPolarHBondContact CB-OE1 3.06Å; R437-E592 PolarHBondContact N-OE1 2.77Å
438	Y	96.1	Very high	94.4	Very high	10 Å²	10	18.2 Å²	18.2	4%	0.039	9%	0.086	C	C	.	.	S	Bend	trans	-108.3	144.1	-178.8	-58.2	-61.9	0	0	0	111.1	M68 D72 I132 D133 V136 T436 H440 V441	M68-Y438 HydrophobicContact CB-CE1 3.95Å; M68-Y438 HydrophobicContact CB-CE2 4.26Å; M68-Y438 WeakPolarHBondContact CB-OH 3.4Å; D72-Y438 HydrophobicContact CB-CD1 3.59Å; D72-Y438 HydrophobicContact CB-CE1 4.27Å; D72-Y438 HydrophobicContact CB-CG 4.46Å; I132-Y438 HydrophobicContact CG2-CD2 4.13Å; I132-Y438 HydrophobicContact CG2-CE2 4.18Å; D133-Y438 VanDerWaalsContact OD1-CE2 3.29Å; D133-Y438 WeakPolarHBondContact OD1-CE2 3.34Å; D133-Y438 VanDerWaalsContact OD1-CZ 3.3Å; D133-Y438 PolarHBondContact OD1-OH 3.37Å; V136-Y438 HydrophobicContact CB-CD2 3.99Å; V136-Y438 HydrophobicContact CG1-CD2 4.11Å; V136-Y438 HydrophobicContact CG1-CG 4.33Å; V136-Y438 HydrophobicContact CG2-CD2 3.79Å; T436-Y438 WeakPolarHBondContact CB-O 3.25Å; T436-Y438 PolarHBondContact OG1-O 3.37Å; Y438-H440 PolarHBondContact O-N 3.1Å; Y438-V441 WeakPolarHBondContact O-CG2 3.41Å
439	Q	94.8	Very high	93.9	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-70.9	-22.5	178.2	86	-167.3	-101.8	0	0	112.1	D72 S75 N76 C383 K385 V441 S442 R445	D72-Q439 PolarHBondContact O-NE2 2.89Å; D72-Q439 WeakPolarHBondContact OD1-CG 3.28Å; D72-Q439 PolarHBondContact OD1-N 3.1Å; D72-Q439 PolarHBondContact OD1-NE2 3.47Å; S75-Q439 VanDerWaalsContact C-OE1 3.22Å; S75-Q439 PolarHBondContact O-OE1 3.1Å; S75-Q439 VanDerWaalsContact OG-CD 3.23Å; S75-Q439 PolarHBondContact OG-OE1 3.22Å; S75-Q439 VanDerWaalsContact OG-OE1 3.12Å; N76-Q439 VanDerWaalsContact CA-OE1 3.24Å; C383-Q439 HydrophobicContact CB-CB 3.94Å; K385-Q439 HydrophobicContact CB-CB 4.12Å; K385-Q439 HydrophobicContact CD-CB 4.25Å; K385-Q439 HydrophobicContact CG-CB 4.39Å; Q439-V441 PolarHBondContact O-N 3.43Å; Q439-S442 WeakPolarHBondContact O-CB 3.26Å; Q439-S442 PolarHBondContact O-N 3.47Å; Q439-R445 WeakPolarHBondContact O-CD 3.41Å; Q439-R445 PolarHBondContact O-NH1 3.02Å
440	H	92.7	Very high	93.6	Very high	34 Å²	34	18.3 Å²	18.3	16%	0.157	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-58.6	-21.7	-174.5	-174.4	66.2	0	0	0	111.7	V136 D143 Y438 R445	V136-H440 HydrophobicContact CG1-CB 3.92Å; D143-H440 IonicContact OD2-CE1 3.65Å; D143-H440 PolarHBondContact OD2-CE1 3.19Å; D143-H440 IonicContact OD2-NE2 3.96Å; Y438-H440 PolarHBondContact O-N 3.1Å; H440-R445 WeakPolarHBondContact O-CB 3.33Å
441	V	94.6	Very high	93.4	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.006	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-120	13.1	-179	-72.4	0	0	0	0	112.2	V136 L139 T436 Y438 Q439 R445 G591 E592	V136-V441 HydrophobicContact CG2-CG1 3.96Å; V136-V441 HydrophobicContact CG2-CG2 3.9Å; L139-V441 HydrophobicContact CD1-CG1 3.61Å; T436-V441 HydrophobicContact CG2-CG2 4.36Å; T436-V441 WeakPolarHBondContact CG2-O 3.18Å; Y438-V441 WeakPolarHBondContact O-CG2 3.41Å; Q439-V441 PolarHBondContact O-N 3.43Å; V441-R445 WeakPolarHBondContact CA-O 3.48Å; V441-G591 PolarHBondContact O-N 3.12Å; V441-E592 HydrophobicContact CB-CG 4.11Å; V441-E592 HydrophobicContact CG2-CG 3.38Å
442	S	95.1	Very high	93.3	Very high	4 Å²	4	19.7 Å²	19.7	3%	0.028	10%	0.095	C	C	.	.	S	Bend	trans	-72.1	130.2	-178.3	169.6	0	0	0	0	112.3	G384 T436 Q439 T444 R445	G384-S442 PolarHBondContact N-OG 2.91Å; G384-S442 WeakPolarHBondContact O-CB 3.31Å; G384-S442 PolarHBondContact O-OG 3.3Å; T436-S442 WeakPolarHBondContact OG1-CA 3.43Å; Q439-S442 WeakPolarHBondContact O-CB 3.26Å; Q439-S442 PolarHBondContact O-N 3.47Å; S442-T444 PolarHBondContact O-N 2.89Å; S442-R445 WeakPolarHBondContact O-CB 3.43Å; S442-R445 WeakPolarHBondContact O-CG 3.28Å; S442-R445 PolarHBondContact O-N 3.39Å; S442-R445 VanDerWaalsContact O-N 3.11Å
443	G	93.6	Very high	93.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-121.1	170.4	0	0	0	0	0	112.7	H430 R445	H430-G443 PolarHBondContact NE2-O 3.37Å; H430-G443 WeakPolarHBondContact O-CA 3.45Å; G443-R445 PolarHBondContact O-N 2.99Å; G443-R445 VanDerWaalsContact O-N 3.11Å
444	T	92.8	Very high	93.1	Very high	36 Å²	36	19.6 Å²	19.6	22%	0.221	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	0.9	-179.2	58.1	0	0	0	0	114.5	H427 H430 S442 C446	H427-T444 HydrophobicContact CB-CG2 4.49Å; H430-T444 HydrophobicContact CB-CG2 4.26Å; S442-T444 PolarHBondContact O-N 2.89Å; T444-C446 PolarHBondContact O-N 3.12Å
445	R	92.5	Very high	93.3	Very high	66 Å²	66	19.6 Å²	19.6	25%	0.249	9%	0.094	C	C	.	.			trans	-79.6	61.6	173.1	-62.3	178.2	175.7	-161.7	1.6	111.5	C79 D83 C383 Q439 H440 V441 S442 G443	C79-R445 PolarHBondContact SG-NH2 3.26Å; D83-R445 IonicContact OD2-NH2 3.95Å; D83-R445 PolarHBondContact OD2-NH2 3.22Å; C383-R445 PolarHBondContact SG-NE 2.86Å; C383-R445 PolarHBondContact SG-NH2 3.29Å; C383-R445 VanDerWaalsContact SG-NH2 3.41Å; Q439-R445 WeakPolarHBondContact O-CD 3.41Å; Q439-R445 PolarHBondContact O-NH1 3.02Å; H440-R445 WeakPolarHBondContact O-CB 3.33Å; V441-R445 WeakPolarHBondContact CA-O 3.48Å; S442-R445 WeakPolarHBondContact O-CB 3.43Å; S442-R445 WeakPolarHBondContact O-CG 3.28Å; S442-R445 PolarHBondContact O-N 3.39Å; S442-R445 VanDerWaalsContact O-N 3.11Å; G443-R445 PolarHBondContact O-N 2.99Å; G443-R445 VanDerWaalsContact O-N 3.11Å
446	C	90.9	Very high	93.3	Very high	30 Å²	30	16.6 Å²	16.6	20%	0.203	8%	0.084	C	C	.	.	S	Bend	trans	-133.8	-166.7	177.9	53.3	0	0	0	0	110	T444 F450	T444-C446 PolarHBondContact O-N 3.12Å; C446-F450 HydrophobicContact CB-CD1 4.32Å
447	S	89.1	Confident	93.3	Very high	15 Å²	15	16.7 Å²	16.7	11%	0.105	9%	0.085	C	C	.	.			trans	-62.4	142.1	175.4	72.1	0	0	0	0	110.3	Q241 D449 F450 A451 P595	Q241-S447 WeakPolarHBondContact O-CB 3.44Å; S447-D449 VanDerWaalsContact C-N 3.25Å; S447-D449 VanDerWaalsContact CB-OD1 3.22Å; S447-D449 WeakPolarHBondContact CB-OD1 3.31Å; S447-D449 PolarHBondContact O-N 3.05Å; S447-D449 PolarHBondContact OG-OD1 3.48Å; S447-F450 PolarHBondContact O-N 2.65Å; S447-F450 VanDerWaalsContact OG-CB 3.32Å; S447-F450 WeakPolarHBondContact OG-CB 3.25Å; S447-F450 PolarHBondContact OG-N 3.31Å; S447-A451 PolarHBondContact O-N 3.19Å; S447-P595 WeakPolarHBondContact OG-CG 3.49Å
448	T	86.5	Confident	93.3	Very high	36 Å²	36	13.9 Å²	13.9	22%	0.221	7%	0.074	C	C	.	.	H	α-helix	trans	-60	-37.1	-173.2	-52.4	0	0	0	0	112.1	F450 A451 E452 Y548	T448-F450 VanDerWaalsContact C-N 3.34Å; T448-F450 PolarHBondContact O-N 2.84Å; T448-A451 PolarHBondContact O-N 2.73Å; T448-E452 WeakPolarHBondContact O-CG 3.44Å; T448-Y548 HydrophobicContact CG2-CD1 4.19Å; T448-Y548 HydrophobicContact CG2-CE1 3.93Å
449	D	87.6	Confident	93.2	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.021	8%	0.079	C	C	.	.	H	α-helix	trans	-71.4	-23.6	176.8	56.2	-4.4	0	0	0	114.3	M242 L243 S447 V453 V557 A558	M242-D449 WeakPolarHBondContact CB-OD2 3.37Å; M242-D449 HydrophobicContact CE-CB 4.18Å; L243-D449 WeakPolarHBondContact CA-OD2 3.45Å; L243-D449 VanDerWaalsContact CB-OD2 3.26Å; L243-D449 WeakPolarHBondContact CB-OD2 3.48Å; L243-D449 HydrophobicContact CD1-CB 4.45Å; L243-D449 PolarHBondContact N-OD2 3.42Å; S447-D449 VanDerWaalsContact C-N 3.25Å; S447-D449 VanDerWaalsContact CB-OD1 3.22Å; S447-D449 WeakPolarHBondContact CB-OD1 3.31Å; S447-D449 PolarHBondContact O-N 3.05Å; S447-D449 PolarHBondContact OG-OD1 3.48Å; D449-V453 WeakPolarHBondContact O-CG2 3.45Å; D449-V557 HydrophobicContact CB-CB 4.43Å; D449-V557 HydrophobicContact CB-CG1 4.14Å; D449-A558 WeakPolarHBondContact O-CB 3.33Å
450	F	91.6	Very high	93.1	Very high	2 Å²	2	15.1 Å²	15.1	1%	0.009	8%	0.081	C	C	.	.	H	α-helix	trans	-86.2	-34.3	172.3	-172.1	-106.6	0	0	0	112.4	H430 C446 S447 T448 E452 V453 P454 W583 P595 L598	H430-F450 AromaticContact CE1-CE1 3.99Å; C446-F450 HydrophobicContact CB-CD1 4.32Å; S447-F450 PolarHBondContact O-N 2.65Å; S447-F450 VanDerWaalsContact OG-CB 3.32Å; S447-F450 WeakPolarHBondContact OG-CB 3.25Å; S447-F450 PolarHBondContact OG-N 3.31Å; T448-F450 VanDerWaalsContact C-N 3.34Å; T448-F450 PolarHBondContact O-N 2.84Å; F450-E452 PolarHBondContact O-N 2.85Å; F450-E452 VanDerWaalsContact O-N 3.17Å; F450-V453 HydrophobicContact CD2-CG2 4.28Å; F450-V453 WeakPolarHBondContact O-CB 3.48Å; F450-V453 PolarHBondContact O-N 2.99Å; F450-P454 VanDerWaalsContact O-CD 3.3Å; F450-P454 WeakPolarHBondContact O-CD 3.14Å; F450-W583 HydrophobicContact CE2-CH2 4.34Å; F450-P595 HydrophobicContact CB-CB 3.8Å; F450-P595 HydrophobicContact CB-CG 4Å; F450-P595 HydrophobicContact CD2-CB 3.94Å; F450-P595 HydrophobicContact CG-CB 3.84Å; F450-P595 HydrophobicContact CG-CG 4.22Å; F450-L598 HydrophobicContact CE1-CD1 3.96Å; F450-L598 HydrophobicContact CE2-CB 4.49Å; F450-L598 HydrophobicContact CZ-CB 4.34Å; F450-L598 HydrophobicContact CZ-CD1 3.85Å
451	A	92.3	Very high	93.1	Very high	10 Å²	10	13.5 Å²	13.5	8%	0.083	7%	0.073	C	C	.	.	H	α-helix	trans	-58.3	-29.2	178.9	0	0	0	0	0	113.1	H427 S447 T448	H427-A451 PolarHBondContact CE1-O 3.31Å; H427-A451 PolarHBondContact ND1-O 3.02Å; S447-A451 PolarHBondContact O-N 3.19Å; T448-A451 PolarHBondContact O-N 2.73Å
452	E	93.9	Very high	92.7	Very high	20 Å²	20	13.5 Å²	13.5	9%	0.093	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-13.5	177.7	-65.1	-60.9	150.4	0	0	113.8	H423 H427 T448 F450 S455 N456 A558	H423-E452 IonicContact CE1-OE2 3.17Å; H423-E452 IonicContact NE2-OE2 3.99Å; H427-E452 IonicContact CE1-OE1 2.84Å; H427-E452 IonicContact CE1-OE2 2.64Å; H427-E452 IonicContact NE2-OE2 2.75Å; T448-E452 WeakPolarHBondContact O-CG 3.44Å; F450-E452 PolarHBondContact O-N 2.85Å; F450-E452 VanDerWaalsContact O-N 3.17Å; E452-S455 PolarHBondContact O-OG 3.36Å; E452-S455 PolarHBondContact OE2-OG 3.46Å; E452-N456 WeakPolarHBondContact O-CB 3.45Å; E452-N456 PolarHBondContact O-N 3.37Å; E452-N456 VanDerWaalsContact O-N 3.1Å; E452-N456 PolarHBondContact O-ND2 2.91Å; E452-A558 HydrophobicContact CB-CB 3.35Å; E452-A558 HydrophobicContact CG-CB 4.5Å
453	V	95.3	Very high	92.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.4	-46.7	-177.2	178.5	0	0	0	0	111.8	D449 F450 S455 N456 L457 A558 V561 A562 W583	D449-V453 WeakPolarHBondContact O-CG2 3.45Å; F450-V453 HydrophobicContact CD2-CG2 4.28Å; F450-V453 WeakPolarHBondContact O-CB 3.48Å; F450-V453 PolarHBondContact O-N 2.99Å; V453-S455 VanDerWaalsContact C-N 3.32Å; V453-S455 PolarHBondContact O-N 3.06Å; V453-N456 PolarHBondContact O-N 3.13Å; V453-L457 VanDerWaalsContact O-CB 3.3Å; V453-L457 WeakPolarHBondContact O-CB 3.27Å; V453-L457 PolarHBondContact O-N 3.45Å; V453-A558 HydrophobicContact CG2-CB 4.16Å; V453-V561 HydrophobicContact CB-CG1 4.43Å; V453-V561 HydrophobicContact CG1-CB 4.41Å; V453-V561 HydrophobicContact CG1-CG1 3.73Å; V453-V561 HydrophobicContact CG2-CB 3.96Å; V453-V561 HydrophobicContact CG2-CG1 3.73Å; V453-A562 HydrophobicContact CG1-CB 4.36Å; V453-W583 HydrophobicContact CB-CH2 4.41Å; V453-W583 HydrophobicContact CB-CZ2 4.49Å; V453-W583 HydrophobicContact CG1-CH2 3.56Å; V453-W583 HydrophobicContact CG1-CZ2 3.75Å
454	P	95.8	Very high	91.6	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-62.5	-35.2	179.7	-26.2	37.5	0	0	0	114.1	H430 F450 M458 W583 Q587	H430-P454 HydrophobicContact CB-CB 4.23Å; H430-P454 HydrophobicContact CB-CG 4.09Å; F450-P454 VanDerWaalsContact O-CD 3.3Å; F450-P454 WeakPolarHBondContact O-CD 3.14Å; P454-M458 WeakPolarHBondContact O-CG 3.32Å; P454-M458 PolarHBondContact O-N 2.8Å; P454-W583 HydrophobicContact CG-CZ2 4.02Å; P454-Q587 HydrophobicContact CG-CG 4.29Å
455	S	96.6	Very high	90.9	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-69	-50.4	177.2	54	0	0	0	0	111.4	H423 H427 E452 V453 L457 M458 E459	H423-S455 PolarHBondContact CE1-OG 3.06Å; H423-S455 VanDerWaalsContact CE1-OG 3.28Å; H423-S455 PolarHBondContact NE2-OG 3.25Å; H423-S455 WeakPolarHBondContact O-CA 3.49Å; H423-S455 WeakPolarHBondContact O-CB 3.35Å; H427-S455 PolarHBondContact CE1-OG 3.41Å; H427-S455 VanDerWaalsContact CE1-OG 3.22Å; H427-S455 PolarHBondContact NE2-OG 2.89Å; E452-S455 PolarHBondContact O-OG 3.36Å; E452-S455 PolarHBondContact OE2-OG 3.46Å; V453-S455 VanDerWaalsContact C-N 3.32Å; V453-S455 PolarHBondContact O-N 3.06Å; S455-L457 VanDerWaalsContact C-N 3.26Å; S455-L457 PolarHBondContact O-N 2.83Å; S455-M458 PolarHBondContact O-N 2.82Å; S455-M458 VanDerWaalsContact O-N 3.12Å; S455-E459 PolarHBondContact O-N 2.86Å
456	N	95	Very high	90.3	Very high	17 Å²	17	20.8 Å²	20.8	9%	0.091	11%	0.109	C	C	.	.	H	α-helix	trans	-59.8	-34.5	175.4	-81.1	-95.8	0	0	0	112.8	E452 V453 Q460 A562	E452-N456 WeakPolarHBondContact O-CB 3.45Å; E452-N456 PolarHBondContact O-N 3.37Å; E452-N456 VanDerWaalsContact O-N 3.1Å; E452-N456 PolarHBondContact O-ND2 2.91Å; V453-N456 PolarHBondContact O-N 3.13Å; N456-Q460 PolarHBondContact O-NE2 3.16Å; N456-A562 HydrophobicContact CB-CB 3.62Å
457	L	96.2	Very high	89.9	Confident	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.101	C	C	.	.	H	α-helix	trans	-69.3	-43.7	175.9	-178.7	65	0	0	0	111.1	V453 S455 E459 Q460 W461 A562 Y565 W566 F570 W583	V453-L457 VanDerWaalsContact O-CB 3.3Å; V453-L457 WeakPolarHBondContact O-CB 3.27Å; V453-L457 PolarHBondContact O-N 3.45Å; S455-L457 VanDerWaalsContact C-N 3.26Å; S455-L457 PolarHBondContact O-N 2.83Å; L457-E459 PolarHBondContact O-N 3.32Å; L457-Q460 VanDerWaalsContact O-CB 3.3Å; L457-Q460 WeakPolarHBondContact O-CB 3.36Å; L457-Q460 WeakPolarHBondContact O-CG 3.41Å; L457-Q460 PolarHBondContact O-N 3.42Å; L457-W461 HydrophobicContact CD1-CZ3 4.43Å; L457-W461 HydrophobicContact CG-CH2 4.35Å; L457-W461 HydrophobicContact CG-CZ3 3.97Å; L457-W461 VanDerWaalsContact O-CE3 3.28Å; L457-W461 WeakPolarHBondContact O-CZ3 3.4Å; L457-A562 HydrophobicContact CB-CB 4.04Å; L457-Y565 HydrophobicContact CD1-CD1 4.11Å; L457-Y565 HydrophobicContact CD2-CD1 3.66Å; L457-Y565 HydrophobicContact CD2-CE1 4.14Å; L457-W566 HydrophobicContact CD1-CB 4.12Å; L457-W566 HydrophobicContact CD1-CE3 4.28Å; L457-F570 HydrophobicContact CD1-CD2 4.28Å; L457-F570 HydrophobicContact CD1-CE2 4.45Å; L457-F570 HydrophobicContact CD2-CE2 4.27Å; L457-W583 HydrophobicContact CD2-CD2 4.04Å; L457-W583 HydrophobicContact CD2-CG 4.11Å; L457-W583 HydrophobicContact CD2-CZ2 4.15Å; L457-W583 VanDerWaalsContact CD2-NE1 3.3Å
458	M	95.9	Very high	89.6	Confident	3 Å²	3	18.9 Å²	18.9	2%	0.015	10%	0.096	C	C	.	.	H	α-helix	trans	-62.5	-29.9	178.6	-79.7	-56.3	-52.6	0	0	113.1	L324 Y328 L422 I425 L429 P454 S455 Q460 W461	L324-M458 HydrophobicContact CD2-CE 4.28Å; Y328-M458 HydrophobicContact CE2-SD 4.26Å; L422-M458 HydrophobicContact CB-CB 4.47Å; L422-M458 HydrophobicContact CD2-CE 3.83Å; L422-M458 WeakPolarHBondContact O-CB 3.36Å; I425-M458 HydrophobicContact CG2-CE 4.36Å; L429-M458 HydrophobicContact CD1-CG 4.29Å; L429-M458 HydrophobicContact CD1-SD 3.94Å; P454-M458 WeakPolarHBondContact O-CG 3.32Å; P454-M458 PolarHBondContact O-N 2.8Å; S455-M458 PolarHBondContact O-N 2.82Å; S455-M458 VanDerWaalsContact O-N 3.12Å; M458-Q460 PolarHBondContact O-N 2.84Å; M458-W461 HydrophobicContact CE-CE3 4.37Å; M458-W461 PolarHBondContact O-N 2.66Å; M458-W461 HydrophobicContact SD-CE3 4.14Å; M458-W461 HydrophobicContact SD-CZ3 3.93Å
459	E	93.6	Very high	89	Confident	29 Å²	29	22.7 Å²	22.7	14%	0.136	11%	0.106	C	C	.	.	H	α-helix	trans	-61.3	-28	173.4	-70.3	177.5	-128.8	0	0	113.5	H423 S455 L457 W461 A462 Y463	H423-E459 HydrophobicContact CB-CG 3.92Å; H423-E459 IonicContact CE1-OE1 2.6Å; H423-E459 IonicContact CG-OE1 3.81Å; H423-E459 IonicContact ND1-OE1 2.86Å; H423-E459 PolarHBondContact ND1-OE1 3.4Å; S455-E459 PolarHBondContact O-N 2.86Å; L457-E459 PolarHBondContact O-N 3.32Å; E459-W461 PolarHBondContact O-N 2.72Å; E459-W461 VanDerWaalsContact O-N 3.16Å; E459-A462 WeakPolarHBondContact O-CA 3.4Å; E459-A462 VanDerWaalsContact O-CB 3.22Å; E459-A462 WeakPolarHBondContact O-CB 3.43Å; E459-A462 PolarHBondContact O-N 3.4Å; E459-Y463 HydrophobicContact CB-CE2 4.08Å; E459-Y463 VanDerWaalsContact O-CD2 3.26Å; E459-Y463 WeakPolarHBondContact O-CD2 3.27Å
460	Q	92.8	Very high	88.5	Confident	9 Å²	9	28.4 Å²	28.4	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-59.6	-30.7	-177.1	-59.5	-53.7	-45.3	0	0	113.2	N456 L457 M458 A462 Y463 D464 W566	N456-Q460 PolarHBondContact O-NE2 3.16Å; L457-Q460 VanDerWaalsContact O-CB 3.3Å; L457-Q460 WeakPolarHBondContact O-CB 3.36Å; L457-Q460 WeakPolarHBondContact O-CG 3.41Å; L457-Q460 PolarHBondContact O-N 3.42Å; M458-Q460 PolarHBondContact O-N 2.84Å; Q460-A462 PolarHBondContact O-N 2.94Å; Q460-Y463 PolarHBondContact O-N 2.74Å; Q460-D464 PolarHBondContact O-N 3.22Å; Q460-W566 HydrophobicContact CB-CD2 3.45Å; Q460-W566 VanDerWaalsContact CB-CD2 3.45Å; Q460-W566 HydrophobicContact CB-CE3 3.23Å; Q460-W566 HydrophobicContact CB-CG 4.08Å; Q460-W566 HydrophobicContact CB-CH2 3.96Å; Q460-W566 HydrophobicContact CB-CZ2 4.16Å; Q460-W566 HydrophobicContact CB-CZ3 3.5Å; Q460-W566 VanDerWaalsContact CB-CZ3 3.5Å; Q460-W566 HydrophobicContact CG-CB 4.2Å; Q460-W566 HydrophobicContact CG-CD2 3.96Å; Q460-W566 HydrophobicContact CG-CE3 3.97Å; Q460-W566 HydrophobicContact CG-CG 4.05Å
461	W	92.5	Very high	87.8	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66.8	-20.3	173.3	-78.1	-91.4	0	0	0	113.9	L323 L327 L457 M458 E459 V467 W566 F570 P574	L323-W461 HydrophobicContact CD2-CB 4.3Å; L323-W461 HydrophobicContact CD2-CG 3.95Å; L327-W461 HydrophobicContact CD1-CD2 4.5Å; L327-W461 HydrophobicContact CD1-CH2 4.09Å; L327-W461 HydrophobicContact CD1-CZ2 3.42Å; L327-W461 VanDerWaalsContact CD1-CZ2 3.42Å; L327-W461 HydrophobicContact CD2-CZ2 3.8Å; L327-W461 HydrophobicContact CG-CZ2 4.26Å; L457-W461 HydrophobicContact CD1-CZ3 4.43Å; L457-W461 HydrophobicContact CG-CH2 4.35Å; L457-W461 HydrophobicContact CG-CZ3 3.97Å; L457-W461 VanDerWaalsContact O-CE3 3.28Å; L457-W461 WeakPolarHBondContact O-CZ3 3.4Å; M458-W461 HydrophobicContact CE-CE3 4.37Å; M458-W461 PolarHBondContact O-N 2.66Å; M458-W461 HydrophobicContact SD-CE3 4.14Å; M458-W461 HydrophobicContact SD-CZ3 3.93Å; E459-W461 PolarHBondContact O-N 2.72Å; E459-W461 VanDerWaalsContact O-N 3.16Å; W461-V467 HydrophobicContact CB-CG1 4.06Å; W461-V467 HydrophobicContact CG-CG1 4.33Å; W461-V467 HydrophobicContact CG-CG2 4.49Å; W461-V467 WeakPolarHBondContact O-CG1 3.47Å; W461-W566 HydrophobicContact CD2-CH2 4.28Å; W461-W566 AromaticContact CD2-CZ3 3.69Å; W461-W566 HydrophobicContact CD2-CZ3 3.69Å; W461-W566 AromaticContact CE2-CZ3 3.68Å; W461-W566 AromaticContact CE3-CZ3 3.86Å; W461-W566 HydrophobicContact CE3-CZ3 3.86Å; W461-W566 HydrophobicContact CG-CH2 4.4Å; W461-W566 HydrophobicContact CG-CZ3 4.27Å; W461-W566 HydrophobicContact CH2-CE3 4.44Å; W461-W566 HydrophobicContact CH2-CZ3 4.06Å; W461-W566 AromaticContact CZ2-CZ3 3.85Å; W461-W566 HydrophobicContact CZ2-CZ3 3.85Å; W461-W566 HydrophobicContact CZ3-CE3 4.45Å; W461-W566 HydrophobicContact CZ3-CZ3 4.07Å; W461-F570 HydrophobicContact CH2-CD1 4.48Å; W461-F570 AromaticContact CH2-CD2 3.9Å; W461-F570 HydrophobicContact CH2-CD2 3.9Å; W461-F570 HydrophobicContact CH2-CE1 4.43Å; W461-F570 AromaticContact CH2-CE2 3.81Å; W461-F570 HydrophobicContact CH2-CE2 3.81Å; W461-F570 HydrophobicContact CH2-CG 4.24Å; W461-F570 HydrophobicContact CH2-CZ 4.1Å; W461-F570 AromaticContact CZ2-CD1 3.99Å; W461-F570 HydrophobicContact CZ2-CD1 3.99Å; W461-F570 HydrophobicContact CZ2-CD2 4.15Å; W461-F570 HydrophobicContact CZ2-CE1 4.13Å; W461-F570 HydrophobicContact CZ2-CE2 4.25Å; W461-F570 HydrophobicContact CZ2-CG 4.01Å; W461-F570 HydrophobicContact CZ2-CZ 4.25Å; W461-P574 PolarHBondContact NE1-O 2.86Å
462	A	86.9	Confident	87.2	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.008	14%	0.14	C	C	.	.	H	α-helix	trans	-78.9	-21.9	171	0	0	0	0	0	112.6	H415 L418 Q419 L422 E459 Q460 C468	H415-A462 PolarHBondContact NE2-O 3.33Å; L418-A462 HydrophobicContact CG-CB 4.41Å; Q419-A462 HydrophobicContact CG-CB 3.64Å; L422-A462 HydrophobicContact CD1-CB 3.84Å; E459-A462 WeakPolarHBondContact O-CA 3.4Å; E459-A462 VanDerWaalsContact O-CB 3.22Å; E459-A462 WeakPolarHBondContact O-CB 3.43Å; E459-A462 PolarHBondContact O-N 3.4Å; Q460-A462 PolarHBondContact O-N 2.94Å; A462-C468 PolarHBondContact O-SG 3.4Å
463	Y	81.7	Confident	86.2	Confident	99 Å²	99	34 Å²	34	39%	0.388	16%	0.164	S	C	.	.	H	α-helix	trans	-92.9	-25.2	179.1	-62	-70.5	0	0	0	112.4	Q419 E459 Q460 A465	Q419-Y463 PolarHBondContact NE2-OH 3.03Å; E459-Y463 HydrophobicContact CB-CE2 4.08Å; E459-Y463 VanDerWaalsContact O-CD2 3.26Å; E459-Y463 WeakPolarHBondContact O-CD2 3.27Å; Q460-Y463 PolarHBondContact O-N 2.74Å; Y463-A465 PolarHBondContact O-N 2.88Å
464	D	84.5	Confident	84.9	Confident	30 Å²	30	34.4 Å²	34.4	16%	0.16	17%	0.166	C	C	.	.			trans	-71.5	113	-180	-174.2	-85.1	0	0	0	112.7	Q460 K466 V467 C468 W566	Q460-D464 PolarHBondContact O-N 3.22Å; D464-K466 PolarHBondContact O-N 3.02Å; D464-K466 VanDerWaalsContact OD1-CA 3.29Å; D464-K466 WeakPolarHBondContact OD1-CA 3.24Å; D464-K466 WeakPolarHBondContact OD1-CB 3.34Å; D464-K466 PolarHBondContact OD1-N 3.28Å; D464-V467 HydrophobicContact CB-CB 4.08Å; D464-V467 HydrophobicContact CB-CG2 3.93Å; D464-V467 PolarHBondContact O-N 3.5Å; D464-V467 WeakPolarHBondContact OD1-CG2 3.35Å; D464-V467 PolarHBondContact OD1-N 3.44Å; D464-C468 WeakPolarHBondContact O-CB 3.4Å; D464-C468 PolarHBondContact O-N 3.21Å; D464-C468 PolarHBondContact O-SG 2.95Å; D464-W566 HydrophobicContact CB-CH2 4.05Å; D464-W566 HydrophobicContact CB-CZ2 3.87Å
465	A	77.4	Confident	83.3	Confident	37 Å²	37	38.9 Å²	38.9	31%	0.306	20%	0.197	S	C	.	.	H	α-helix	trans	-61.5	-28.2	-178.1	0	0	0	0	0	113.5	Y463 R469	Y463-A465 PolarHBondContact O-N 2.88Å; A465-R469 VanDerWaalsContact O-CB 3.32Å; A465-R469 WeakPolarHBondContact O-CB 3.24Å; A465-R469 WeakPolarHBondContact O-CG 3.21Å; A465-R469 PolarHBondContact O-N 3.22Å; A465-R469 VanDerWaalsContact O-N 3.11Å; A465-R469 PolarHBondContact O-NE 3.02Å
466	K	79.7	Confident	81.3	Confident	93 Å²	93	40 Å²	40	40%	0.404	21%	0.207	S	C	.	.	H	α-helix	trans	-72.7	-47	177.5	179	-171.4	175.5	-165.3	0	109.7	D464 R469 L470	D464-K466 PolarHBondContact O-N 3.02Å; D464-K466 VanDerWaalsContact OD1-CA 3.29Å; D464-K466 WeakPolarHBondContact OD1-CA 3.24Å; D464-K466 WeakPolarHBondContact OD1-CB 3.34Å; D464-K466 PolarHBondContact OD1-N 3.28Å; K466-R469 PolarHBondContact O-N 2.85Å; K466-L470 HydrophobicContact CD-CD1 4.43Å; K466-L470 HydrophobicContact CG-CD1 3.6Å; K466-L470 HydrophobicContact CG-CG 4.3Å; K466-L470 VanDerWaalsContact O-CB 3.25Å; K466-L470 WeakPolarHBondContact O-CB 3.15Å; K466-L470 VanDerWaalsContact O-CG 3.29Å; K466-L470 WeakPolarHBondContact O-CG 3.24Å; K466-L470 PolarHBondContact O-N 3.03Å
467	V	83.8	Confident	79.3	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.024	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-48.5	174.9	176.4	0	0	0	0	110.4	W461 D464 R469 L470 T471 F472 P574	W461-V467 HydrophobicContact CB-CG1 4.06Å; W461-V467 HydrophobicContact CG-CG1 4.33Å; W461-V467 HydrophobicContact CG-CG2 4.49Å; W461-V467 WeakPolarHBondContact O-CG1 3.47Å; D464-V467 HydrophobicContact CB-CB 4.08Å; D464-V467 HydrophobicContact CB-CG2 3.93Å; D464-V467 PolarHBondContact O-N 3.5Å; D464-V467 WeakPolarHBondContact OD1-CG2 3.35Å; D464-V467 PolarHBondContact OD1-N 3.44Å; V467-R469 VanDerWaalsContact C-N 3.32Å; V467-R469 PolarHBondContact O-N 2.87Å; V467-L470 PolarHBondContact O-N 3.18Å; V467-T471 WeakPolarHBondContact O-CA 3.26Å; V467-T471 WeakPolarHBondContact O-CB 3.22Å; V467-T471 PolarHBondContact O-N 2.87Å; V467-F472 HydrophobicContact CG1-CD2 3.94Å; V467-F472 HydrophobicContact CG1-CE2 3.65Å; V467-F472 HydrophobicContact CG1-CZ 4.48Å; V467-F472 PolarHBondContact O-N 2.77Å; V467-P574 HydrophobicContact CG2-CB 3.43Å; V467-P574 VanDerWaalsContact CG2-CB 3.43Å; V467-P574 HydrophobicContact CG2-CG 4.07Å
468	C	81.2	Confident	77.1	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.007	23%	0.23	C	C	.	.	H	α-helix	trans	-57.5	-44.7	178.7	-70.6	0	0	0	0	112.4	A462 D464 F472 M473 L474 L477	A462-C468 PolarHBondContact O-SG 3.4Å; D464-C468 WeakPolarHBondContact O-CB 3.4Å; D464-C468 PolarHBondContact O-N 3.21Å; D464-C468 PolarHBondContact O-SG 2.95Å; C468-F472 CarbonylContact O-C 3.42Å; C468-F472 VanDerWaalsContact O-C 3.31Å; C468-F472 PolarHBondContact O-N 3.03Å; C468-M473 PolarHBondContact O-N 2.78Å; C468-L474 HydrophobicContact CB-CB 4.47Å; C468-L474 PolarHBondContact O-N 3.33Å; C468-L477 HydrophobicContact CB-CB 4.24Å; C468-L477 HydrophobicContact CB-CD1 3.56Å
469	R	75.6	Confident	74.8	Confident	115 Å²	115	48.5 Å²	48.5	43%	0.434	26%	0.255	S	S	.	.	H	α-helix	trans	-71	-46.7	178.2	-75	179.3	-64.2	-143.8	-0.3	113.3	A465 K466 V467 M473 T478	A465-R469 VanDerWaalsContact O-CB 3.32Å; A465-R469 WeakPolarHBondContact O-CB 3.24Å; A465-R469 WeakPolarHBondContact O-CG 3.21Å; A465-R469 PolarHBondContact O-N 3.22Å; A465-R469 VanDerWaalsContact O-N 3.11Å; A465-R469 PolarHBondContact O-NE 3.02Å; K466-R469 PolarHBondContact O-N 2.85Å; V467-R469 VanDerWaalsContact C-N 3.32Å; V467-R469 PolarHBondContact O-N 2.87Å; R469-M473 WeakPolarHBondContact O-CA 3.5Å; R469-T478 HydrophobicContact CG-CG2 4.32Å
470	L	75.4	Confident	72.8	Confident	125 Å²	125	48.6 Å²	48.6	65%	0.654	26%	0.256	S	S	*	.	H	α-helix	trans	-88.1	-45.5	-169.1	-62.1	-178	0	0	0	112.1	K466 V467	K466-L470 HydrophobicContact CD-CD1 4.43Å; K466-L470 HydrophobicContact CG-CD1 3.6Å; K466-L470 HydrophobicContact CG-CG 4.3Å; K466-L470 VanDerWaalsContact O-CB 3.25Å; K466-L470 WeakPolarHBondContact O-CB 3.15Å; K466-L470 VanDerWaalsContact O-CG 3.29Å; K466-L470 WeakPolarHBondContact O-CG 3.24Å; K466-L470 PolarHBondContact O-N 3.03Å; V467-L470 PolarHBondContact O-N 3.18Å
471	T	77.3	Confident	70.8	Confident	26 Å²	26	49.2 Å²	49.2	16%	0.16	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-52.6	-177.5	-51.2	0	0	0	0	110.3	N319 L323 V467	N319-T471 HydrophobicContact CB-CG2 4.15Å; N319-T471 VanDerWaalsContact CB-O 3.27Å; N319-T471 WeakPolarHBondContact CB-O 3.46Å; N319-T471 PolarHBondContact ND2-O 3.31Å; L323-T471 HydrophobicContact CB-CG2 4.15Å; V467-T471 WeakPolarHBondContact O-CA 3.26Å; V467-T471 WeakPolarHBondContact O-CB 3.22Å; V467-T471 PolarHBondContact O-N 2.87Å
472	F	79.8	Confident	69.1	Low	0 Å²	0	52 Å²	52	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-88.2	-1.4	-177.4	-59.6	-53.8	0	0	0	114.2	L311 F316 N319 L323 L418 L422 V467 C468 L474	L311-F472 VanDerWaalsContact CD1-O 3.25Å; L311-F472 WeakPolarHBondContact CD1-O 3.41Å; L311-F472 HydrophobicContact CD2-CB 4.01Å; L311-F472 HydrophobicContact CD2-CD1 3.99Å; L311-F472 HydrophobicContact CD2-CG 4.21Å; F316-F472 HydrophobicContact CD2-CD1 4.2Å; F316-F472 AromaticContact CD2-CE1 3.87Å; F316-F472 HydrophobicContact CD2-CE1 3.87Å; F316-F472 AromaticContact CE2-CE1 3.98Å; F316-F472 HydrophobicContact CE2-CE1 3.98Å; F316-F472 HydrophobicContact CE2-CZ 4.43Å; N319-F472 HydrophobicContact CB-CD1 4.18Å; N319-F472 HydrophobicContact CB-CE1 4.46Å; L323-F472 HydrophobicContact CD2-CZ 4.26Å; L418-F472 HydrophobicContact CD2-CD2 4.17Å; L418-F472 HydrophobicContact CD2-CG 4.45Å; L422-F472 HydrophobicContact CD1-CE2 4.32Å; L422-F472 HydrophobicContact CD1-CZ 4.31Å; L422-F472 HydrophobicContact CD2-CZ 4.47Å; V467-F472 HydrophobicContact CG1-CD2 3.94Å; V467-F472 HydrophobicContact CG1-CE2 3.65Å; V467-F472 HydrophobicContact CG1-CZ 4.48Å; V467-F472 PolarHBondContact O-N 2.77Å; C468-F472 CarbonylContact O-C 3.42Å; C468-F472 VanDerWaalsContact O-C 3.31Å; C468-F472 PolarHBondContact O-N 3.03Å; F472-L474 HydrophobicContact CB-CD1 4.04Å; F472-L474 HydrophobicContact CB-CG 3.99Å; F472-L474 PolarHBondContact O-N 2.9Å; F472-L474 VanDerWaalsContact O-N 3.16Å
473	M	72.8	Confident	67.6	Low	122 Å²	122	53.9 Å²	53.9	60%	0.601	29%	0.294	S	S	*	.			trans	54.3	28.8	-179.5	-55.5	-173.3	76.9	0	0	114.3	C468 R469 S475	C468-M473 PolarHBondContact O-N 2.78Å; R469-M473 WeakPolarHBondContact O-CA 3.5Å; M473-S475 PolarHBondContact O-N 3.46Å
474	L	69.2	Low	67	Low	9 Å²	9	50.1 Å²	50.1	5%	0.047	28%	0.283	C	S	.	.			trans	-92.3	96.5	178.6	-62	178.8	0	0	0	109.3	V309 L311 L418 C468 F472 L477	V309-L474 HydrophobicContact CG1-CB 4.06Å; V309-L474 HydrophobicContact CG1-CD1 4.36Å; V309-L474 HydrophobicContact CG1-CD2 3.54Å; V309-L474 HydrophobicContact CG1-CG 4.17Å; L311-L474 HydrophobicContact CB-CD1 4.47Å; L311-L474 HydrophobicContact CB-CD2 3.87Å; L311-L474 HydrophobicContact CD1-CD2 4.25Å; L418-L474 HydrophobicContact CD2-CD1 4.01Å; C468-L474 HydrophobicContact CB-CB 4.47Å; C468-L474 PolarHBondContact O-N 3.33Å; F472-L474 HydrophobicContact CB-CD1 4.04Å; F472-L474 HydrophobicContact CB-CG 3.99Å; F472-L474 PolarHBondContact O-N 2.9Å; F472-L474 VanDerWaalsContact O-N 3.16Å; L474-L477 HydrophobicContact CB-CD1 3.61Å; L474-L477 HydrophobicContact CB-CG 4.3Å; L474-L477 HydrophobicContact CD1-CD1 3.38Å; L474-L477 HydrophobicContact CG-CD1 4.12Å
475	S	60.4	Low	66.7	Low	95 Å²	95	49.4 Å²	49.4	66%	0.664	28%	0.279	S	S	*	.	S	Bend	trans	-72.6	-35.1	-177	55.1	0	0	0	0	113.4	M473 L477 T478	M473-S475 PolarHBondContact O-N 3.46Å; S475-L477 VanDerWaalsContact C-N 3.33Å; S475-L477 PolarHBondContact O-N 3.33Å; S475-T478 PolarHBondContact O-OG1 3.14Å
476	A	56.3	Low	67.2	Low	24 Å²	24	48 Å²	48	20%	0.198	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-75.8	-13.9	-173.4	0	0	0	0	0	114.4	V309 T478 L479 M480	V309-A476 HydrophobicContact CG2-CB 3.73Å; A476-T478 PolarHBondContact O-N 3.4Å; A476-T478 VanDerWaalsContact O-N 3.16Å; A476-L479 WeakPolarHBondContact O-CB 3.16Å; A476-L479 PolarHBondContact O-N 3.3Å; A476-M480 PolarHBondContact O-N 2.75Å
477	L	52.5	Low	67.7	Low	21 Å²	21	43.9 Å²	43.9	11%	0.11	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-66.2	-18.3	-179.8	-84.1	164.1	0	0	0	113.7	H415 C468 L474 S475 L479 M480	H415-L477 HydrophobicContact CB-CD2 4.48Å; H415-L477 VanDerWaalsContact CD2-CD2 3.46Å; H415-L477 WeakPolarHBondContact CD2-CD2 3.29Å; C468-L477 HydrophobicContact CB-CB 4.24Å; C468-L477 HydrophobicContact CB-CD1 3.56Å; L474-L477 HydrophobicContact CB-CD1 3.61Å; L474-L477 HydrophobicContact CB-CG 4.3Å; L474-L477 HydrophobicContact CD1-CD1 3.38Å; L474-L477 HydrophobicContact CG-CD1 4.12Å; S475-L477 VanDerWaalsContact C-N 3.33Å; S475-L477 PolarHBondContact O-N 3.33Å; L477-L479 PolarHBondContact O-N 3.18Å; L477-M480 HydrophobicContact CD2-CB 3.87Å; L477-M480 HydrophobicContact CD2-CE 3.72Å; L477-M480 HydrophobicContact CD2-CG 3.8Å; L477-M480 HydrophobicContact CG-CG 4.41Å; L477-M480 PolarHBondContact O-N 3.49Å
478	T	49.5	Very low	68.1	Low	76 Å²	76	43.7 Å²	43.7	47%	0.466	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-64	-20.8	168.5	42.3	0	0	0	0	114.2	R469 S475 A476	R469-T478 HydrophobicContact CG-CG2 4.32Å; S475-T478 PolarHBondContact O-OG1 3.14Å; A476-T478 PolarHBondContact O-N 3.4Å; A476-T478 VanDerWaalsContact O-N 3.16Å
479	L	47.4	Very low	68.7	Low	103 Å²	103	44.2 Å²	44.2	54%	0.539	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-14.4	178.1	-65.4	163.1	0	0	0	111.9	L302 A476 L477	L302-L479 WeakPolarHBondContact CD2-O 3.3Å; A476-L479 WeakPolarHBondContact O-CB 3.16Å; A476-L479 PolarHBondContact O-N 3.3Å; L477-L479 PolarHBondContact O-N 3.18Å
480	M	51.9	Low	69.4	Low	31 Å²	31	43.4 Å²	43.4	15%	0.153	25%	0.253	C	S	.	.	S	Bend	trans	-68.7	139.8	179.4	-74.6	-100.1	-81.5	0	0	108.7	V309 H415 A476 L477 D482	V309-M480 HydrophobicContact CG2-CE 4.22Å; V309-M480 HydrophobicContact CG2-CG 4.07Å; V309-M480 HydrophobicContact CG2-SD 4.12Å; H415-M480 HydrophobicContact CB-CE 3.84Å; A476-M480 PolarHBondContact O-N 2.75Å; L477-M480 HydrophobicContact CD2-CB 3.87Å; L477-M480 HydrophobicContact CD2-CE 3.72Å; L477-M480 HydrophobicContact CD2-CG 3.8Å; L477-M480 HydrophobicContact CG-CG 4.41Å; L477-M480 PolarHBondContact O-N 3.49Å; M480-D482 PolarHBondContact O-N 3.08Å
481	P	50.4	Low	70.3	Confident	21 Å²	21	37.6 Å²	37.6	14%	0.136	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-48	140	170.7	-16.8	26	0	0	0	107.9	R296 Y300 L302 G483 T485	R296-P481 HydrophobicContact CB-CB 4.4Å; R296-P481 HydrophobicContact CB-CG 3.82Å; R296-P481 HydrophobicContact CG-CB 4.12Å; R296-P481 HydrophobicContact CG-CG 4.07Å; Y300-P481 HydrophobicContact CD2-CB 3.65Å; Y300-P481 HydrophobicContact CD2-CG 3.49Å; Y300-P481 VanDerWaalsContact CD2-CG 3.49Å; Y300-P481 HydrophobicContact CE2-CB 3.36Å; Y300-P481 HydrophobicContact CE2-CG 3.78Å; Y300-P481 HydrophobicContact CG-CB 4.38Å; Y300-P481 HydrophobicContact CG-CG 4.12Å; L302-P481 HydrophobicContact CD1-CG 3.77Å; P481-G483 PolarHBondContact O-N 3.19Å; P481-T485 WeakPolarHBondContact CB-OG1 3.39Å
482	D	57	Low	71.2	Confident	60 Å²	60	36.3 Å²	36.3	32%	0.321	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-46.1	125.7	156.5	43.2	47.6	0	0	0	106.5	M480 S484 T485 P621	M480-D482 PolarHBondContact O-N 3.08Å; D482-S484 PolarHBondContact O-N 3.06Å; D482-T485 PolarHBondContact O-N 3.33Å; D482-T485 PolarHBondContact O-OG1 3.06Å; D482-T485 VanDerWaalsContact O-OG1 3.08Å; D482-T485 VanDerWaalsContact OD1-CA 3.24Å; D482-T485 WeakPolarHBondContact OD1-CA 3.4Å; D482-T485 WeakPolarHBondContact OD1-CB 3.25Å; D482-T485 PolarHBondContact OD1-N 3.28Å; D482-T485 PolarHBondContact OD1-OG1 3.35Å; D482-P621 HydrophobicContact CB-CG 3.96Å; D482-P621 WeakPolarHBondContact OD1-CG 3.29Å; D482-P621 VanDerWaalsContact OD2-CB 3.24Å; D482-P621 WeakPolarHBondContact OD2-CB 3.39Å; D482-P621 WeakPolarHBondContact OD2-CG 3.31Å
483	G	57.1	Low	72	Confident	39 Å²	39	40.7 Å²	40.7	40%	0.402	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-18.6	-176.7	0	0	0	0	0	111.9	R296 P481	R296-G483 PolarHBondContact NH2-O 3.2Å; P481-G483 PolarHBondContact O-N 3.19Å
484	S	68.6	Low	73.1	Confident	21 Å²	21	37.1 Å²	37.1	15%	0.147	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	8.9	176.4	54.5	0	0	0	0	115.8	D482 F486 G487 D619 P621	D482-S484 PolarHBondContact O-N 3.06Å; S484-F486 PolarHBondContact O-N 3.2Å; S484-F486 VanDerWaalsContact O-N 3.16Å; S484-G487 WeakPolarHBondContact O-CA 3.29Å; S484-G487 PolarHBondContact O-N 3.34Å; S484-D619 PolarHBondContact OG-O 3.08Å; S484-P621 WeakPolarHBondContact O-CD 3.44Å; S484-P621 VanDerWaalsContact OG-CD 3.24Å; S484-P621 WeakPolarHBondContact OG-CD 3.34Å; S484-P621 WeakPolarHBondContact OG-CG 3.47Å
485	T	77.4	Confident	74.4	Confident	14 Å²	14	36.7 Å²	36.7	9%	0.086	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	120.7	167	-43.1	0	0	0	0	107.8	R296 M299 Y300 P481 D482 G487	R296-T485 HydrophobicContact CG-CG2 4.26Å; R296-T485 PolarHBondContact NE-O 3.03Å; R296-T485 PolarHBondContact NH2-O 3.24Å; M299-T485 HydrophobicContact SD-CG2 4.31Å; Y300-T485 HydrophobicContact CE2-CG2 4.43Å; Y300-T485 PolarHBondContact OH-OG1 3.47Å; Y300-T485 VanDerWaalsContact OH-OG1 3.06Å; P481-T485 WeakPolarHBondContact CB-OG1 3.39Å; D482-T485 PolarHBondContact O-N 3.33Å; D482-T485 PolarHBondContact O-OG1 3.06Å; D482-T485 VanDerWaalsContact O-OG1 3.08Å; D482-T485 VanDerWaalsContact OD1-CA 3.24Å; D482-T485 WeakPolarHBondContact OD1-CA 3.4Å; D482-T485 WeakPolarHBondContact OD1-CB 3.25Å; D482-T485 PolarHBondContact OD1-N 3.28Å; D482-T485 PolarHBondContact OD1-OG1 3.35Å; T485-G487 PolarHBondContact O-N 2.93Å
486	F	88.4	Confident	76.2	Confident	8 Å²	8	32.1 Å²	32.1	4%	0.035	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	16.5	-168.2	-41.2	-64.6	0	0	0	115.4	D268 I271 L272 A295 R296 M299 S484 A488 L489	D268-F486 HydrophobicContact CB-CD1 3.79Å; D268-F486 WeakPolarHBondContact OD2-CA 3.2Å; I271-F486 HydrophobicContact CB-CE1 4.25Å; I271-F486 HydrophobicContact CG2-CE1 3.85Å; I271-F486 HydrophobicContact CG2-CZ 4.07Å; L272-F486 HydrophobicContact CD2-CD1 4.22Å; L272-F486 HydrophobicContact CD2-CD2 4.11Å; L272-F486 HydrophobicContact CD2-CE1 3.87Å; L272-F486 HydrophobicContact CD2-CE2 3.76Å; L272-F486 HydrophobicContact CD2-CG 4.33Å; L272-F486 HydrophobicContact CD2-CZ 3.63Å; L272-F486 HydrophobicContact CG-CD1 4.35Å; L272-F486 HydrophobicContact CG-CE1 4.22Å; L272-F486 HydrophobicContact CG-CZ 4.46Å; A295-F486 HydrophobicContact CB-CE2 3.68Å; A295-F486 HydrophobicContact CB-CZ 3.67Å; R296-F486 HydrophobicContact CG-CD2 4.45Å; R296-F486 HydrophobicContact CG-CE2 4.18Å; M299-F486 HydrophobicContact CE-CE1 4.46Å; M299-F486 HydrophobicContact CE-CZ 3.88Å; M299-F486 HydrophobicContact SD-CZ 4.12Å; S484-F486 PolarHBondContact O-N 3.2Å; S484-F486 VanDerWaalsContact O-N 3.16Å; F486-A488 PolarHBondContact O-N 2.85Å; F486-L489 HydrophobicContact CB-CD1 4.22Å; F486-L489 WeakPolarHBondContact O-CB 3.2Å; F486-L489 PolarHBondContact O-N 3.44Å; F486-L489 VanDerWaalsContact O-N 3.1Å
487	G	89.2	Confident	78.2	Confident	6 Å²	6	32 Å²	32	6%	0.062	18%	0.178	C	C	.	.	H	α-helix	trans	-64.4	-18.3	179.3	0	0	0	0	0	113.5	S484 T485 L489 E490 L491	S484-G487 WeakPolarHBondContact O-CA 3.29Å; S484-G487 PolarHBondContact O-N 3.34Å; T485-G487 PolarHBondContact O-N 2.93Å; G487-L489 VanDerWaalsContact C-N 3.27Å; G487-L489 PolarHBondContact O-N 2.66Å; G487-E490 PolarHBondContact O-N 3.19Å; G487-L491 VanDerWaalsContact O-CB 3.32Å; G487-L491 WeakPolarHBondContact O-CB 3.32Å; G487-L491 PolarHBondContact O-N 3.02Å
488	A	93.3	Very high	80.3	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.1	-37	172.5	0	0	0	0	0	111.5	V261 R264 S265 D268 F486 L491 A492 L620	V261-A488 HydrophobicContact CB-CB 4.3Å; R264-A488 HydrophobicContact CB-CB 4.09Å; R264-A488 HydrophobicContact CG-CB 3.71Å; S265-A488 PolarHBondContact OG-O 2.62Å; D268-A488 WeakPolarHBondContact OD2-CB 3.43Å; F486-A488 PolarHBondContact O-N 2.85Å; A488-L491 PolarHBondContact O-N 2.63Å; A488-A492 VanDerWaalsContact O-CB 3.28Å; A488-A492 WeakPolarHBondContact O-CB 3.39Å; A488-A492 PolarHBondContact O-N 3.5Å; A488-L620 HydrophobicContact CB-CD1 4.03Å
489	L	93.2	Very high	82.6	Confident	12 Å²	12	27.9 Å²	27.9	6%	0.063	15%	0.154	C	C	.	.	H	α-helix	trans	-63.8	-46.4	177.2	-59	-178.8	0	0	0	111.8	S265 D268 I269 L272 W288 F486 G487 Q493 W531	S265-L489 WeakPolarHBondContact O-CD2 3.27Å; D268-L489 HydrophobicContact CB-CD1 4.19Å; D268-L489 HydrophobicContact CB-CD2 4.12Å; D268-L489 HydrophobicContact CB-CG 3.99Å; I269-L489 HydrophobicContact CD1-CD2 4.09Å; I269-L489 HydrophobicContact CG1-CD2 3.83Å; L272-L489 HydrophobicContact CD1-CD1 3.78Å; W288-L489 HydrophobicContact CE3-CD1 4.34Å; F486-L489 HydrophobicContact CB-CD1 4.22Å; F486-L489 WeakPolarHBondContact O-CB 3.2Å; F486-L489 PolarHBondContact O-N 3.44Å; F486-L489 VanDerWaalsContact O-N 3.1Å; G487-L489 VanDerWaalsContact C-N 3.27Å; G487-L489 PolarHBondContact O-N 2.66Å; L489-Q493 WeakPolarHBondContact O-CB 3.29Å; L489-Q493 PolarHBondContact O-N 3.23Å; L489-W531 HydrophobicContact CB-CH2 4.38Å; L489-W531 HydrophobicContact CD2-CH2 3.72Å; L489-W531 HydrophobicContact CD2-CZ2 3.67Å
490	E	90.9	Very high	85	Confident	98 Å²	98	23 Å²	23	46%	0.458	13%	0.128	S	C	.	.	H	α-helix	trans	-64.7	-45.5	177.9	-176.6	177.8	-178.5	0	0	111	G487 A492 Q493 Q494	G487-E490 PolarHBondContact O-N 3.19Å; E490-A492 PolarHBondContact O-N 3.14Å; E490-Q493 PolarHBondContact O-N 2.83Å; E490-Q494 HydrophobicContact CG-CG 4.41Å; E490-Q494 VanDerWaalsContact O-CG 3.31Å; E490-Q494 WeakPolarHBondContact O-CG 3.25Å; E490-Q494 PolarHBondContact O-N 3.24Å
491	L	94.6	Very high	87.2	Confident	3 Å²	3	21.6 Å²	21.6	2%	0.016	12%	0.121	C	C	.	.	H	α-helix	trans	-62.5	-42.9	178.9	-177.3	53.5	0	0	0	111.7	V257 V261 G487 A488 Q494 A495 L556 L616 L620	V257-L491 HydrophobicContact CG1-CD1 3.8Å; V257-L491 HydrophobicContact CG1-CD2 4.06Å; V257-L491 HydrophobicContact CG1-CG 3.65Å; V261-L491 HydrophobicContact CG1-CB 4.44Å; V261-L491 HydrophobicContact CG1-CD2 3.68Å; V261-L491 HydrophobicContact CG1-CG 4.07Å; G487-L491 VanDerWaalsContact O-CB 3.32Å; G487-L491 WeakPolarHBondContact O-CB 3.32Å; G487-L491 PolarHBondContact O-N 3.02Å; A488-L491 PolarHBondContact O-N 2.63Å; L491-Q494 PolarHBondContact O-N 3.01Å; L491-A495 VanDerWaalsContact O-CB 3.31Å; L491-A495 WeakPolarHBondContact O-CB 3.45Å; L491-A495 PolarHBondContact O-N 3.28Å; L491-L556 HydrophobicContact CD1-CD1 4.3Å; L491-L556 HydrophobicContact CD1-CD2 3.58Å; L491-L616 HydrophobicContact CD1-CD1 4.25Å; L491-L616 HydrophobicContact CD2-CB 3.95Å; L491-L620 HydrophobicContact CD2-CD1 4.33Å
492	A	96.2	Very high	89.4	Confident	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.5	-44.9	173.4	0	0	0	0	0	111.6	L258 V261 A488 E490 A495 L496 F528 W531	L258-A492 HydrophobicContact CD2-CB 4.47Å; V261-A492 HydrophobicContact CG2-CB 3.78Å; A488-A492 VanDerWaalsContact O-CB 3.28Å; A488-A492 WeakPolarHBondContact O-CB 3.39Å; A488-A492 PolarHBondContact O-N 3.5Å; E490-A492 PolarHBondContact O-N 3.14Å; A492-A495 PolarHBondContact O-N 3.05Å; A492-L496 WeakPolarHBondContact O-CB 3.47Å; A492-L496 VanDerWaalsContact O-CG 3.27Å; A492-L496 WeakPolarHBondContact O-CG 3.45Å; A492-L496 PolarHBondContact O-N 3.43Å; A492-F528 HydrophobicContact CB-CE1 4.28Å; A492-F528 HydrophobicContact CB-CE2 4.32Å; A492-F528 HydrophobicContact CB-CZ 3.87Å; A492-W531 HydrophobicContact CB-CH2 3.75Å; A492-W531 HydrophobicContact CB-CZ3 3.86Å
493	Q	94.8	Very high	91.3	Very high	91 Å²	91	21.8 Å²	21.8	43%	0.425	12%	0.115	S	C	.	.	H	α-helix	trans	-61.6	-48.4	177.9	-177.3	177.6	-3.1	0	0	111.8	L489 E490 A495 L496 M497	L489-Q493 WeakPolarHBondContact O-CB 3.29Å; L489-Q493 PolarHBondContact O-N 3.23Å; E490-Q493 PolarHBondContact O-N 2.83Å; Q493-A495 VanDerWaalsContact C-N 3.32Å; Q493-A495 PolarHBondContact O-N 3.4Å; Q493-L496 PolarHBondContact O-N 3.41Å; Q493-M497 HydrophobicContact CG-SD 4.07Å; Q493-M497 VanDerWaalsContact O-CG 3.26Å; Q493-M497 WeakPolarHBondContact O-CG 3.41Å; Q493-M497 PolarHBondContact O-N 2.79Å
494	Q	96	Very high	93.2	Very high	47 Å²	47	20 Å²	20	22%	0.22	10%	0.096	C	C	.	.	H	α-helix	trans	-60.7	-42	177.9	-69.2	-64.7	-30.1	0	0	111.6	E490 L491 M497 A498 Y552 L556	E490-Q494 HydrophobicContact CG-CG 4.41Å; E490-Q494 VanDerWaalsContact O-CG 3.31Å; E490-Q494 WeakPolarHBondContact O-CG 3.25Å; E490-Q494 PolarHBondContact O-N 3.24Å; L491-Q494 PolarHBondContact O-N 3.01Å; Q494-M497 PolarHBondContact O-N 3.3Å; Q494-A498 WeakPolarHBondContact O-CB 3.48Å; Q494-A498 PolarHBondContact O-N 3.33Å; Q494-Y552 PolarHBondContact OE1-OH 3.38Å; Q494-L556 HydrophobicContact CB-CD1 4.08Å; Q494-L556 HydrophobicContact CB-CD2 3.97Å; Q494-L556 HydrophobicContact CB-CG 4.25Å
495	A	97.9	Very high	94.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66.6	-40.7	178.2	0	0	0	0	0	112.2	L254 V257 L258 L491 A492 Q493 A498 L499 L556	L254-A495 HydrophobicContact CD2-CB 4.27Å; V257-A495 HydrophobicContact CB-CB 4.48Å; V257-A495 HydrophobicContact CG1-CB 3.95Å; L258-A495 HydrophobicContact CD2-CB 3.78Å; L258-A495 HydrophobicContact CG-CB 3.91Å; L491-A495 VanDerWaalsContact O-CB 3.31Å; L491-A495 WeakPolarHBondContact O-CB 3.45Å; L491-A495 PolarHBondContact O-N 3.28Å; A492-A495 PolarHBondContact O-N 3.05Å; Q493-A495 VanDerWaalsContact C-N 3.32Å; Q493-A495 PolarHBondContact O-N 3.4Å; A495-A498 PolarHBondContact O-N 2.64Å; A495-L499 WeakPolarHBondContact O-CB 3.01Å; A495-L499 PolarHBondContact O-N 2.85Å; A495-L556 HydrophobicContact CB-CD1 4.02Å
496	L	97.5	Very high	95.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-64.9	-40.3	174.7	-73.6	165.7	0	0	0	112.2	L258 A492 Q493 L499 A500 Y523 A526 F528 W531	L258-L496 HydrophobicContact CD1-CD2 4.1Å; L258-L496 HydrophobicContact CD2-CD1 4.47Å; L258-L496 HydrophobicContact CD2-CD2 4.07Å; L258-L496 HydrophobicContact CD2-CG 3.76Å; A492-L496 WeakPolarHBondContact O-CB 3.47Å; A492-L496 VanDerWaalsContact O-CG 3.27Å; A492-L496 WeakPolarHBondContact O-CG 3.45Å; A492-L496 PolarHBondContact O-N 3.43Å; Q493-L496 PolarHBondContact O-N 3.41Å; L496-L499 PolarHBondContact O-N 2.91Å; L496-A500 WeakPolarHBondContact O-CB 3.28Å; L496-A500 PolarHBondContact O-N 2.73Å; L496-Y523 HydrophobicContact CB-CD2 4.28Å; L496-Y523 HydrophobicContact CB-CE1 4.47Å; L496-Y523 HydrophobicContact CB-CE2 3.65Å; L496-Y523 HydrophobicContact CD1-CD1 3.74Å; L496-Y523 HydrophobicContact CD1-CD2 4.23Å; L496-Y523 HydrophobicContact CD1-CE1 3.56Å; L496-Y523 HydrophobicContact CD1-CE2 4.07Å; L496-Y523 HydrophobicContact CD1-CG 4.09Å; L496-Y523 HydrophobicContact CD2-CD2 4.01Å; L496-Y523 HydrophobicContact CD2-CE2 4.25Å; L496-Y523 HydrophobicContact CD2-CG 4.3Å; L496-Y523 HydrophobicContact CG-CD2 4.4Å; L496-Y523 HydrophobicContact CG-CE2 4.19Å; L496-A526 HydrophobicContact CD2-CB 3.81Å; L496-F528 HydrophobicContact CD1-CB 4.21Å; L496-F528 HydrophobicContact CD1-CD2 3.87Å; L496-F528 HydrophobicContact CD1-CG 4.18Å; L496-W531 HydrophobicContact CD1-CE3 4.4Å
497	M	97.4	Very high	95.4	Very high	21 Å²	21	25 Å²	25	10%	0.103	12%	0.117	C	C	.	.	H	α-helix	trans	-64.2	-43	175.6	-69.6	176.8	59.2	0	0	111.6	Q493 Q494 A500 D501 W538 F542 Y552	Q493-M497 HydrophobicContact CG-SD 4.07Å; Q493-M497 VanDerWaalsContact O-CG 3.26Å; Q493-M497 WeakPolarHBondContact O-CG 3.41Å; Q493-M497 PolarHBondContact O-N 2.79Å; Q494-M497 PolarHBondContact O-N 3.3Å; M497-A500 PolarHBondContact O-N 2.75Å; M497-D501 PolarHBondContact O-N 2.64Å; M497-W538 HydrophobicContact CB-CH2 3.87Å; M497-W538 HydrophobicContact CB-CZ3 4.19Å; M497-W538 HydrophobicContact CE-CE3 4.24Å; M497-W538 HydrophobicContact CE-CZ3 3.83Å; M497-W538 HydrophobicContact CG-CE3 4.22Å; M497-W538 HydrophobicContact CG-CH2 3.57Å; M497-W538 HydrophobicContact CG-CZ2 4.01Å; M497-W538 HydrophobicContact CG-CZ3 3.66Å; M497-W538 HydrophobicContact SD-CZ3 4.33Å; M497-F542 HydrophobicContact CE-CD2 3.35Å; M497-F542 HydrophobicContact CE-CE2 3.17Å; M497-F542 HydrophobicContact CE-CG 4.24Å; M497-F542 HydrophobicContact CE-CZ 3.94Å; M497-Y552 HydrophobicContact CB-CD1 4.22Å; M497-Y552 HydrophobicContact CB-CE1 3.8Å; M497-Y552 HydrophobicContact CE-CE1 4.21Å
498	A	97.9	Very high	95	Very high	2 Å²	2	32.4 Å²	32.4	2%	0.017	14%	0.143	C	C	.	.	H	α-helix	trans	-65	-38	175.1	0	0	0	0	0	112.4	L254 Q494 A495 D501 L502 Y552	L254-A498 HydrophobicContact CD1-CB 3.8Å; L254-A498 HydrophobicContact CD2-CB 3.75Å; L254-A498 HydrophobicContact CG-CB 4.46Å; Q494-A498 WeakPolarHBondContact O-CB 3.48Å; Q494-A498 PolarHBondContact O-N 3.33Å; A495-A498 PolarHBondContact O-N 2.64Å; A498-D501 PolarHBondContact O-N 2.82Å; A498-L502 WeakPolarHBondContact O-CB 3.47Å; A498-L502 PolarHBondContact O-N 2.77Å; A498-Y552 HydrophobicContact CB-CD1 3.96Å
499	L	97.7	Very high	94.6	Very high	8 Å²	8	35.5 Å²	35.5	4%	0.042	17%	0.168	C	C	.	.	H	α-helix	trans	-68.4	-41.7	177.7	-172.3	61.5	0	0	0	110.9	L254 L258 A495 L496 L502 R503 L522	L254-L499 HydrophobicContact CD1-CB 4.12Å; L254-L499 HydrophobicContact CD1-CD1 4.29Å; L258-L499 HydrophobicContact CD1-CD2 4.05Å; A495-L499 WeakPolarHBondContact O-CB 3.01Å; A495-L499 PolarHBondContact O-N 2.85Å; L496-L499 PolarHBondContact O-N 2.91Å; L499-L502 PolarHBondContact O-N 3.12Å; L499-R503 HydrophobicContact CD1-CG 4.21Å; L499-R503 HydrophobicContact CG-CG 4.33Å; L499-R503 WeakPolarHBondContact O-CB 3.36Å; L499-R503 WeakPolarHBondContact O-CG 3.44Å; L499-R503 PolarHBondContact O-N 2.84Å; L499-L522 HydrophobicContact CD2-CD2 4.25Å; L499-L522 HydrophobicContact CG-CD2 4.37Å
500	A	97.4	Very high	94.2	Very high	1 Å²	1	35 Å²	35	1%	0.008	17%	0.165	C	C	.	.	H	α-helix	trans	-60.2	-46.9	174	0	0	0	0	0	111.8	L496 M497 L502 R503 L504 L522 W538	L496-A500 WeakPolarHBondContact O-CB 3.28Å; L496-A500 PolarHBondContact O-N 2.73Å; M497-A500 PolarHBondContact O-N 2.75Å; A500-L502 PolarHBondContact O-N 3.35Å; A500-R503 PolarHBondContact O-N 2.94Å; A500-L504 WeakPolarHBondContact O-CB 3.5Å; A500-L504 WeakPolarHBondContact O-CD1 3.34Å; A500-L504 VanDerWaalsContact O-CG 3.26Å; A500-L504 WeakPolarHBondContact O-CG 3.38Å; A500-L504 PolarHBondContact O-N 2.71Å; A500-L522 HydrophobicContact CB-CD1 4.01Å; A500-W538 HydrophobicContact CB-CH2 4.13Å; A500-W538 HydrophobicContact CB-CZ2 4.05Å
501	D	97.8	Very high	93.8	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-55.4	-50	174.2	175.3	41.4	0	0	0	111.8	M497 A498 H505 F542 S550 K551 Y552	M497-D501 PolarHBondContact O-N 2.64Å; A498-D501 PolarHBondContact O-N 2.82Å; D501-H505 PolarHBondContact O-N 3.45Å; D501-H505 PolarHBondContact O-ND1 3.19Å; D501-H505 IonicContact OD1-CE1 3.08Å; D501-H505 PolarHBondContact OD1-CE1 3.46Å; D501-H505 IonicContact OD1-ND1 3.36Å; D501-H505 PolarHBondContact OD1-ND1 3.18Å; D501-F542 HydrophobicContact CB-CE1 4.33Å; D501-S550 VanDerWaalsContact CG-N 3.25Å; D501-S550 PolarHBondContact OD1-N 2.87Å; D501-S550 WeakPolarHBondContact OD2-CA 3.49Å; D501-S550 PolarHBondContact OD2-N 3.1Å; D501-K551 PolarHBondContact OD2-N 2.86Å; D501-K551 VanDerWaalsContact OD2-N 3.17Å; D501-Y552 WeakPolarHBondContact OD2-CB 3.37Å; D501-Y552 PolarHBondContact OD2-N 2.76Å; D501-Y552 VanDerWaalsContact OD2-N 3.1Å
502	L	97.5	Very high	93.3	Very high	2 Å²	2	45 Å²	45	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-59.8	-51.2	179.1	177.8	65.8	0	0	0	111.9	A235 L239 V250 A498 L499 A500 L504 H505 Q506	A235-L502 HydrophobicContact CB-CD1 3.99Å; L239-L502 HydrophobicContact CD1-CD1 4.04Å; V250-L502 HydrophobicContact CB-CD2 4.03Å; V250-L502 HydrophobicContact CG1-CD2 3.88Å; A498-L502 WeakPolarHBondContact O-CB 3.47Å; A498-L502 PolarHBondContact O-N 2.77Å; L499-L502 PolarHBondContact O-N 3.12Å; A500-L502 PolarHBondContact O-N 3.35Å; L502-L504 PolarHBondContact O-N 3.21Å; L502-H505 PolarHBondContact O-N 3.28Å; L502-H505 VanDerWaalsContact O-N 3.17Å; L502-Q506 HydrophobicContact CD1-CG 4.33Å; L502-Q506 HydrophobicContact CG-CG 4.5Å; L502-Q506 WeakPolarHBondContact O-CG 3.31Å; L502-Q506 PolarHBondContact O-N 3.33Å
503	R	96.5	Very high	92.9	Very high	84 Å²	84	46.5 Å²	46.5	32%	0.317	22%	0.224	S	C	.	.	H	α-helix	trans	-64.7	-40.6	-174.5	-65.7	-65.8	179.9	102.2	-0.3	111.8	S251 E255 L499 A500 H505 Q506 E507 L522	S251-R503 PolarHBondContact OG-NH2 3.46Å; E255-R503 IonicContact OE1-NH2 3.42Å; E255-R503 PolarHBondContact OE1-NH2 3.16Å; L499-R503 HydrophobicContact CD1-CG 4.21Å; L499-R503 HydrophobicContact CG-CG 4.33Å; L499-R503 WeakPolarHBondContact O-CB 3.36Å; L499-R503 WeakPolarHBondContact O-CG 3.44Å; L499-R503 PolarHBondContact O-N 2.84Å; A500-R503 PolarHBondContact O-N 2.94Å; R503-H505 VanDerWaalsContact C-N 3.26Å; R503-H505 PolarHBondContact O-N 2.75Å; R503-Q506 PolarHBondContact O-N 3.48Å; R503-E507 PolarHBondContact O-N 2.99Å; R503-L522 HydrophobicContact CB-CD1 4.42Å; R503-L522 HydrophobicContact CG-CD1 4.3Å; R503-L522 HydrophobicContact CG-CD2 4.1Å
504	L	96.9	Very high	92.9	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-62.2	-32.8	175.9	-73	165.9	0	0	0	112.8	L219 A500 L502 V513 T515 L518 L539 I545	L219-L504 HydrophobicContact CD1-CB 4.03Å; L219-L504 HydrophobicContact CD1-CD1 4.47Å; L219-L504 HydrophobicContact CD1-CD2 4.02Å; L219-L504 HydrophobicContact CD1-CG 4.4Å; L219-L504 HydrophobicContact CD2-CB 4.24Å; A500-L504 WeakPolarHBondContact O-CB 3.5Å; A500-L504 WeakPolarHBondContact O-CD1 3.34Å; A500-L504 VanDerWaalsContact O-CG 3.26Å; A500-L504 WeakPolarHBondContact O-CG 3.38Å; A500-L504 PolarHBondContact O-N 2.71Å; L502-L504 PolarHBondContact O-N 3.21Å; L504-V513 HydrophobicContact CD2-CG1 4.45Å; L504-T515 HydrophobicContact CD2-CG2 4.22Å; L504-L518 HydrophobicContact CD2-CD1 3.85Å; L504-L518 HydrophobicContact CD2-CD2 4.2Å; L504-L518 HydrophobicContact CG-CD1 4.43Å; L504-L518 HydrophobicContact CG-CD2 4.15Å; L504-L539 HydrophobicContact CD1-CD1 4.22Å; L504-L539 HydrophobicContact CD1-CD2 3.56Å; L504-I545 HydrophobicContact CD1-CD1 4.02Å
505	H	97.1	Very high	92.9	Very high	5 Å²	5	42.9 Å²	42.9	2%	0.023	21%	0.21	C	C	.	.	H	α-helix	trans	-88.7	-7.9	178	-70.9	101.1	0	0	0	114.6	L219 R222 Y234 A235 D501 L502 R503 G549 S550	L219-H505 WeakPolarHBondContact CD2-NE2 3.46Å; R222-H505 PolarHBondContact NH1-NE2 2.7Å; Y234-H505 HydrophobicContact CD1-CB 4.21Å; Y234-H505 AromaticContact CD1-CD2 3.27Å; Y234-H505 WeakPolarHBondContact CD1-CD2 3.42Å; Y234-H505 AromaticContact CD1-CG 3.93Å; Y234-H505 AromaticContact CE1-CD2 3.86Å; Y234-H505 AromaticContact CG-CD2 3.96Å; Y234-H505 PolarHBondContact N-O 3.09Å; A235-H505 HydrophobicContact CB-CB 4.29Å; A235-H505 PolarHBondContact N-O 3.41Å; D501-H505 PolarHBondContact O-N 3.45Å; D501-H505 PolarHBondContact O-ND1 3.19Å; D501-H505 IonicContact OD1-CE1 3.08Å; D501-H505 PolarHBondContact OD1-CE1 3.46Å; D501-H505 IonicContact OD1-ND1 3.36Å; D501-H505 PolarHBondContact OD1-ND1 3.18Å; L502-H505 PolarHBondContact O-N 3.28Å; L502-H505 VanDerWaalsContact O-N 3.17Å; R503-H505 VanDerWaalsContact C-N 3.26Å; R503-H505 PolarHBondContact O-N 2.75Å; H505-G549 WeakPolarHBondContact CE1-CA 3.34Å; H505-S550 PolarHBondContact CE1-N 2.98Å; H505-S550 PolarHBondContact ND1-N 3.34Å
506	Q	95.8	Very high	92.7	Very high	62 Å²	62	43.9 Å²	43.9	29%	0.29	22%	0.216	S	C	.	.	H	α-helix	trans	-86.3	-28.3	169.5	-75.7	177.7	-33.7	0	0	112.3	A235 L502 R503	A235-Q506 HydrophobicContact CB-CG 3.82Å; L502-Q506 HydrophobicContact CD1-CG 4.33Å; L502-Q506 HydrophobicContact CG-CG 4.5Å; L502-Q506 WeakPolarHBondContact O-CG 3.31Å; L502-Q506 PolarHBondContact O-N 3.33Å; R503-Q506 PolarHBondContact O-N 3.48Å
507	E	88.2	Confident	92.6	Very high	82 Å²	82	50.4 Å²	50.4	38%	0.383	25%	0.246	S	C	.	.			trans	-67.7	136.7	-177.7	-169.6	47.8	-111.2	0	0	112.2	R503 A509 L510 V513	R503-E507 PolarHBondContact O-N 2.99Å; E507-A509 PolarHBondContact OE1-N 3.37Å; E507-L510 HydrophobicContact CB-CD2 4.03Å; E507-L510 HydrophobicContact CB-CG 4.43Å; E507-L510 HydrophobicContact CG-CD2 3.97Å; E507-L510 HydrophobicContact CG-CG 4.22Å; E507-V513 HydrophobicContact CG-CG2 4.09Å
508	R	80.9	Confident	92.5	Very high	161 Å²	161	51.2 Å²	51.2	61%	0.608	25%	0.251	S	S	*	.	S	Bend	trans	-101.2	-32.1	178.7	-70.2	-174.5	177.1	179	3	112.3	N232	N232-R508 VanDerWaalsContact CB-NH2 3.32Å; N232-R508 PolarHBondContact O-NE 3.49Å; N232-R508 PolarHBondContact O-NH2 3.1Å; N232-R508 PolarHBondContact OD1-NH2 3.08Å
509	A	83.7	Confident	92.4	Very high	64 Å²	64	51.2 Å²	51.2	53%	0.529	25%	0.25	S	S	.	.			trans	-110.6	80.2	-173.5	0	0	0	0	0	109.9	E507 D511	E507-A509 PolarHBondContact OE1-N 3.37Å; A509-D511 VanDerWaalsContact C-N 3.34Å
510	L	86.3	Confident	92.3	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.016	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-84.1	-4.8	-175.9	-70.4	158.5	0	0	0	113.9	L216 L219 Q220 E507 H512 V513	L216-L510 HydrophobicContact CD2-CD2 4.47Å; L219-L510 HydrophobicContact CB-CD1 3.44Å; L219-L510 VanDerWaalsContact CB-CD1 3.44Å; L219-L510 HydrophobicContact CB-CD2 4.47Å; Q220-L510 HydrophobicContact CG-CB 3.78Å; Q220-L510 HydrophobicContact CG-CD1 4.1Å; E507-L510 HydrophobicContact CB-CD2 4.03Å; E507-L510 HydrophobicContact CB-CG 4.43Å; E507-L510 HydrophobicContact CG-CD2 3.97Å; E507-L510 HydrophobicContact CG-CG 4.22Å; L510-H512 PolarHBondContact O-N 3.06Å; L510-H512 VanDerWaalsContact O-N 3.09Å; L510-V513 HydrophobicContact CD2-CB 4.13Å; L510-V513 HydrophobicContact CD2-CG1 4.26Å; L510-V513 HydrophobicContact CD2-CG2 4.07Å; L510-V513 PolarHBondContact O-N 2.53Å; L510-V513 VanDerWaalsContact O-N 3.11Å
511	D	81.9	Confident	92.2	Very high	124 Å²	124	55.4 Å²	55.4	66%	0.663	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-61.7	-21.8	-173.7	-64.1	-20.3	0	0	0	114.3	Q220 A509	Q220-D511 PolarHBondContact NE2-OD1 3.08Å; A509-D511 VanDerWaalsContact C-N 3.34Å
512	H	83.2	Confident	92.1	Very high	186 Å²	186	56 Å²	56	86%	0.861	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-121.6	9.4	179.3	-57.5	-38.7	0	0	0	112.8	L510	L510-H512 PolarHBondContact O-N 3.06Å; L510-H512 VanDerWaalsContact O-N 3.09Å
513	V	89.4	Confident	92	Very high	31 Å²	31	56.3 Å²	56.3	19%	0.188	28%	0.282	C	S	.	.			trans	-79.8	128	178.8	173.4	0	0	0	0	108.9	L216 L504 E507 L510 L518	L216-V513 HydrophobicContact CD2-CB 4.29Å; L216-V513 HydrophobicContact CD2-CG1 4.34Å; L504-V513 HydrophobicContact CD2-CG1 4.45Å; E507-V513 HydrophobicContact CG-CG2 4.09Å; L510-V513 HydrophobicContact CD2-CB 4.13Å; L510-V513 HydrophobicContact CD2-CG1 4.26Å; L510-V513 HydrophobicContact CD2-CG2 4.07Å; L510-V513 PolarHBondContact O-N 2.53Å; L510-V513 VanDerWaalsContact O-N 3.11Å; V513-L518 HydrophobicContact CG1-CD1 4.27Å
514	N	93.7	Very high	92	Very high	63 Å²	63	54.6 Å²	54.6	34%	0.337	29%	0.285	S	S	.	.			trans	-103.3	115.6	163.8	179.8	-76.4	0	0	0	107.6	E212 V516 Q517 L518	E212-N514 WeakPolarHBondContact OE1-CA 3.2Å; N514-V516 VanDerWaalsContact C-N 3.25Å; N514-V516 PolarHBondContact O-N 2.87Å; N514-V516 WeakPolarHBondContact OD1-CB 3.26Å; N514-V516 PolarHBondContact OD1-N 3.05Å; N514-Q517 HydrophobicContact CB-CB 4.07Å; N514-Q517 HydrophobicContact CB-CG 4.08Å; N514-Q517 PolarHBondContact O-N 2.86Å; N514-Q517 WeakPolarHBondContact OD1-CG 3.01Å; N514-Q517 PolarHBondContact OD1-N 3.1Å; N514-L518 PolarHBondContact O-N 2.83Å
515	T	95.4	Very high	92	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-66.9	-31.6	-170.6	75.1	0	0	0	0	111.9	E212 L215 L216 L504 L518 C519 L539	E212-T515 PolarHBondContact OE1-N 2.79Å; E212-T515 WeakPolarHBondContact OE2-CB 3.07Å; E212-T515 WeakPolarHBondContact OE2-CG2 3.15Å; E212-T515 PolarHBondContact OE2-OG1 3.22Å; L215-T515 HydrophobicContact CD2-CG2 4.17Å; L216-T515 HydrophobicContact CD2-CG2 3.73Å; L216-T515 HydrophobicContact CG-CG2 4.14Å; L504-T515 HydrophobicContact CD2-CG2 4.22Å; T515-L518 PolarHBondContact O-N 3.18Å; T515-C519 PolarHBondContact O-N 3.44Å; T515-C519 PolarHBondContact O-SG 3Å; T515-C519 VanDerWaalsContact O-SG 3.42Å; T515-L539 HydrophobicContact CG2-CD2 4.28Å
516	V	95	Very high	91.9	Very high	21 Å²	21	61.6 Å²	61.6	13%	0.127	33%	0.325	C	S	.	.	H	α-helix	trans	-65.9	-46.7	176.4	-179.3	0	0	0	0	110.7	N514 L518 C519 H520 A537	N514-V516 VanDerWaalsContact C-N 3.25Å; N514-V516 PolarHBondContact O-N 2.87Å; N514-V516 WeakPolarHBondContact OD1-CB 3.26Å; N514-V516 PolarHBondContact OD1-N 3.05Å; V516-L518 VanDerWaalsContact C-N 3.34Å; V516-L518 PolarHBondContact O-N 3.3Å; V516-C519 PolarHBondContact O-N 2.96Å; V516-H520 PolarHBondContact O-CD2 2.89Å; V516-H520 VanDerWaalsContact O-CD2 3.27Å; V516-H520 PolarHBondContact O-N 3.17Å; V516-A537 HydrophobicContact CG2-CB 3.57Å
517	Q	94.7	Very high	91.9	Very high	136 Å²	136	59.6 Å²	59.6	64%	0.636	32%	0.321	S	S	*	.	H	α-helix	trans	-63.4	-39.3	176.7	-72.1	177.1	-7.9	0	0	112.1	N514 H520 A521	N514-Q517 HydrophobicContact CB-CB 4.07Å; N514-Q517 HydrophobicContact CB-CG 4.08Å; N514-Q517 PolarHBondContact O-N 2.86Å; N514-Q517 WeakPolarHBondContact OD1-CG 3.01Å; N514-Q517 PolarHBondContact OD1-N 3.1Å; Q517-H520 PolarHBondContact O-N 3.1Å; Q517-A521 PolarHBondContact O-N 3.37Å
518	L	94.8	Very high	92.2	Very high	39 Å²	39	55.8 Å²	55.8	20%	0.204	30%	0.303	C	S	.	.	H	α-helix	trans	-59.9	-47.1	174.4	-178.2	150.3	0	0	0	111	L504 V513 N514 T515 V516 H520 A521 L522	L504-L518 HydrophobicContact CD2-CD1 3.85Å; L504-L518 HydrophobicContact CD2-CD2 4.2Å; L504-L518 HydrophobicContact CG-CD1 4.43Å; L504-L518 HydrophobicContact CG-CD2 4.15Å; V513-L518 HydrophobicContact CG1-CD1 4.27Å; N514-L518 PolarHBondContact O-N 2.83Å; T515-L518 PolarHBondContact O-N 3.18Å; V516-L518 VanDerWaalsContact C-N 3.34Å; V516-L518 PolarHBondContact O-N 3.3Å; L518-H520 PolarHBondContact O-N 2.79Å; L518-A521 PolarHBondContact O-N 3.26Å; L518-L522 HydrophobicContact CD2-CD1 3.53Å; L518-L522 HydrophobicContact CD2-CG 4.18Å; L518-L522 WeakPolarHBondContact O-CG 3.47Å; L518-L522 PolarHBondContact O-N 3.38Å
519	C	95.9	Very high	92.8	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.007	30%	0.295	C	S	.	.	H	α-helix	trans	-61.6	-43.7	175.2	-71.4	0	0	0	0	112.1	T515 V516 A521 L522 Y523 M532	T515-C519 PolarHBondContact O-N 3.44Å; T515-C519 PolarHBondContact O-SG 3Å; T515-C519 VanDerWaalsContact O-SG 3.42Å; V516-C519 PolarHBondContact O-N 2.96Å; C519-A521 VanDerWaalsContact C-N 3.31Å; C519-A521 PolarHBondContact O-N 3.05Å; C519-L522 PolarHBondContact O-N 3.45Å; C519-Y523 WeakPolarHBondContact O-CB 3.48Å; C519-Y523 WeakPolarHBondContact O-CD2 3.36Å; C519-Y523 PolarHBondContact O-N 3.11Å; C519-M532 HydrophobicContact CB-CE 3.98Å
520	H	95.7	Very high	93.1	Very high	49 Å²	49	52.3 Å²	52.3	23%	0.227	30%	0.295	C	S	.	.	H	α-helix	trans	-57.8	-42.9	175	-89.6	-86.8	0	0	0	112.4	V516 Q517 L518 A524 M532	V516-H520 PolarHBondContact O-CD2 2.89Å; V516-H520 VanDerWaalsContact O-CD2 3.27Å; V516-H520 PolarHBondContact O-N 3.17Å; Q517-H520 PolarHBondContact O-N 3.1Å; L518-H520 PolarHBondContact O-N 2.79Å; H520-A524 WeakPolarHBondContact O-CB 3.39Å; H520-A524 PolarHBondContact O-N 2.81Å; H520-M532 VanDerWaalsContact CE1-CB 3.45Å; H520-M532 WeakPolarHBondContact CE1-CB 3.21Å; H520-M532 PolarHBondContact CE1-O 3.29Å; H520-M532 WeakPolarHBondContact ND1-CB 3.4Å
521	A	95.3	Very high	93.5	Very high	48 Å²	48	52.8 Å²	52.8	40%	0.397	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-47.4	177.8	0	0	0	0	0	111.6	Q517 L518 C519 Y523 A524 D525	Q517-A521 PolarHBondContact O-N 3.37Å; L518-A521 PolarHBondContact O-N 3.26Å; C519-A521 VanDerWaalsContact C-N 3.31Å; C519-A521 PolarHBondContact O-N 3.05Å; A521-Y523 VanDerWaalsContact C-N 3.32Å; A521-Y523 PolarHBondContact O-N 3.4Å; A521-A524 PolarHBondContact O-N 3.46Å; A521-A524 VanDerWaalsContact O-N 3.12Å; A521-D525 WeakPolarHBondContact O-CB 3.44Å; A521-D525 VanDerWaalsContact O-CG 3.3Å; A521-D525 PolarHBondContact O-N 2.92Å
522	L	95.5	Very high	94	Very high	13 Å²	13	47.3 Å²	47.3	7%	0.068	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-43.2	177.9	-70.5	177.8	0	0	0	112.5	L499 A500 R503 L518 C519 D525 A526	L499-L522 HydrophobicContact CD2-CD2 4.25Å; L499-L522 HydrophobicContact CG-CD2 4.37Å; A500-L522 HydrophobicContact CB-CD1 4.01Å; R503-L522 HydrophobicContact CB-CD1 4.42Å; R503-L522 HydrophobicContact CG-CD1 4.3Å; R503-L522 HydrophobicContact CG-CD2 4.1Å; L518-L522 HydrophobicContact CD2-CD1 3.53Å; L518-L522 HydrophobicContact CD2-CG 4.18Å; L518-L522 WeakPolarHBondContact O-CG 3.47Å; L518-L522 PolarHBondContact O-N 3.38Å; C519-L522 PolarHBondContact O-N 3.45Å; L522-D525 PolarHBondContact O-N 3.16Å; L522-A526 WeakPolarHBondContact O-CB 3.33Å; L522-A526 PolarHBondContact O-N 3.18Å; L522-A526 VanDerWaalsContact O-N 3.08Å
523	Y	96.5	Very high	94.5	Very high	10 Å²	10	39 Å²	39	4%	0.039	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-41	176.6	-84.7	-120.6	0	0	0	111.1	L496 C519 A521 G527 F528 A529 W531 M532 W538	L496-Y523 HydrophobicContact CB-CD2 4.28Å; L496-Y523 HydrophobicContact CB-CE1 4.47Å; L496-Y523 HydrophobicContact CB-CE2 3.65Å; L496-Y523 HydrophobicContact CD1-CD1 3.74Å; L496-Y523 HydrophobicContact CD1-CD2 4.23Å; L496-Y523 HydrophobicContact CD1-CE1 3.56Å; L496-Y523 HydrophobicContact CD1-CE2 4.07Å; L496-Y523 HydrophobicContact CD1-CG 4.09Å; L496-Y523 HydrophobicContact CD2-CD2 4.01Å; L496-Y523 HydrophobicContact CD2-CE2 4.25Å; L496-Y523 HydrophobicContact CD2-CG 4.3Å; L496-Y523 HydrophobicContact CG-CD2 4.4Å; L496-Y523 HydrophobicContact CG-CE2 4.19Å; C519-Y523 WeakPolarHBondContact O-CB 3.48Å; C519-Y523 WeakPolarHBondContact O-CD2 3.36Å; C519-Y523 PolarHBondContact O-N 3.11Å; A521-Y523 VanDerWaalsContact C-N 3.32Å; A521-Y523 PolarHBondContact O-N 3.4Å; Y523-G527 PolarHBondContact O-N 3.36Å; Y523-G527 VanDerWaalsContact O-N 3.15Å; Y523-F528 HydrophobicContact CD1-CB 4.26Å; Y523-F528 CarbonylContact O-C 3.31Å; Y523-F528 WeakPolarHBondContact O-CA 3.37Å; Y523-F528 PolarHBondContact O-N 3.3Å; Y523-A529 PolarHBondContact O-N 3.26Å; Y523-W531 HydrophobicContact CD1-CB 3.84Å; Y523-W531 HydrophobicContact CE1-CB 4Å; Y523-M532 HydrophobicContact CD1-CG 3.5Å; Y523-M532 VanDerWaalsContact CD1-CG 3.5Å; Y523-M532 HydrophobicContact CD1-SD 4.17Å; Y523-M532 HydrophobicContact CD2-CG 4.13Å; Y523-M532 HydrophobicContact CD2-SD 4.39Å; Y523-M532 HydrophobicContact CE1-CG 3.97Å; Y523-M532 HydrophobicContact CE1-SD 4.04Å; Y523-M532 HydrophobicContact CE2-SD 4.27Å; Y523-M532 HydrophobicContact CG-CG 3.57Å; Y523-M532 HydrophobicContact CG-SD 4.34Å; Y523-W538 HydrophobicContact CE2-CZ2 4.48Å; Y523-W538 AromaticContact CE2-NE1 3.94Å; Y523-W538 AromaticContact CZ-NE1 3.9Å
524	A	96.5	Very high	94.5	Very high	47 Å²	47	45.4 Å²	45.4	39%	0.388	26%	0.257	S	S	.	.	H	α-helix	trans	-64.9	-43.2	177	0	0	0	0	0	112.6	H520 A521 A526 G527 A529	H520-A524 WeakPolarHBondContact O-CB 3.39Å; H520-A524 PolarHBondContact O-N 2.81Å; A521-A524 PolarHBondContact O-N 3.46Å; A521-A524 VanDerWaalsContact O-N 3.12Å; A524-A526 VanDerWaalsContact C-N 3.34Å; A524-A526 PolarHBondContact O-N 3.03Å; A524-G527 WeakPolarHBondContact O-CA 3.42Å; A524-G527 PolarHBondContact O-N 3.42Å; A524-A529 HydrophobicContact CB-CB 3.98Å
525	D	95.8	Very high	94.3	Very high	138 Å²	138	45 Å²	45	74%	0.738	27%	0.268	S	S	*	.	H	α-helix	trans	-63.7	-39.1	178.9	-71	-14.7	0	0	0	111.8	A521 L522 G527	A521-D525 WeakPolarHBondContact O-CB 3.44Å; A521-D525 VanDerWaalsContact O-CG 3.3Å; A521-D525 PolarHBondContact O-N 2.92Å; L522-D525 PolarHBondContact O-N 3.16Å; D525-G527 PolarHBondContact O-N 2.68Å
526	A	95.7	Very high	94.2	Very high	15 Å²	15	45 Å²	45	12%	0.124	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-4.5	172.4	0	0	0	0	0	113.2	L258 R262 L496 L522 A524 F528	L258-A526 HydrophobicContact CD1-CB 4.14Å; R262-A526 PolarHBondContact NE-O 3.07Å; L496-A526 HydrophobicContact CD2-CB 3.81Å; L522-A526 WeakPolarHBondContact O-CB 3.33Å; L522-A526 PolarHBondContact O-N 3.18Å; L522-A526 VanDerWaalsContact O-N 3.08Å; A524-A526 VanDerWaalsContact C-N 3.34Å; A524-A526 PolarHBondContact O-N 3.03Å; A526-F528 HydrophobicContact CB-CD2 3.71Å; A526-F528 HydrophobicContact CB-CE2 4.16Å; A526-F528 WeakPolarHBondContact O-CD2 3.24Å; A526-F528 WeakPolarHBondContact O-CE2 3.44Å
527	G	95.2	Very high	94.2	Very high	20 Å²	20	44.1 Å²	44.1	21%	0.206	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.8	25.4	177.2	0	0	0	0	0	115.5	R262 M266 Y523 A524 D525	R262-G527 VanDerWaalsContact NH2-CA 3.34Å; M266-G527 WeakPolarHBondContact CE-O 3.45Å; Y523-G527 PolarHBondContact O-N 3.36Å; Y523-G527 VanDerWaalsContact O-N 3.15Å; A524-G527 WeakPolarHBondContact O-CA 3.42Å; A524-G527 PolarHBondContact O-N 3.42Å; D525-G527 PolarHBondContact O-N 2.68Å
528	F	95.1	Very high	94.1	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.009	24%	0.236	C	C	.	.			trans	-115.2	30.2	177.3	-60.5	-72.5	0	0	0	112	L258 R262 M266 A492 L496 Y523 A526 D530 W531	L258-F528 HydrophobicContact CD2-CE2 3.96Å; R262-F528 HydrophobicContact CB-CZ 4.31Å; R262-F528 HydrophobicContact CG-CZ 4.22Å; M266-F528 HydrophobicContact CE-CD1 3.28Å; M266-F528 HydrophobicContact CE-CE1 3.48Å; M266-F528 VanDerWaalsContact CE-CE1 3.48Å; M266-F528 HydrophobicContact CE-CG 4.33Å; A492-F528 HydrophobicContact CB-CE1 4.28Å; A492-F528 HydrophobicContact CB-CE2 4.32Å; A492-F528 HydrophobicContact CB-CZ 3.87Å; L496-F528 HydrophobicContact CD1-CB 4.21Å; L496-F528 HydrophobicContact CD1-CD2 3.87Å; L496-F528 HydrophobicContact CD1-CG 4.18Å; Y523-F528 HydrophobicContact CD1-CB 4.26Å; Y523-F528 CarbonylContact O-C 3.31Å; Y523-F528 WeakPolarHBondContact O-CA 3.37Å; Y523-F528 PolarHBondContact O-N 3.3Å; A526-F528 HydrophobicContact CB-CD2 3.71Å; A526-F528 HydrophobicContact CB-CE2 4.16Å; A526-F528 WeakPolarHBondContact O-CD2 3.24Å; A526-F528 WeakPolarHBondContact O-CE2 3.44Å; F528-D530 PolarHBondContact O-N 3.22Å; F528-D530 VanDerWaalsContact O-N 3.11Å; F528-W531 HydrophobicContact CB-CB 4.34Å; F528-W531 HydrophobicContact CB-CD2 3.91Å; F528-W531 HydrophobicContact CB-CE3 4.39Å; F528-W531 HydrophobicContact CB-CG 3.85Å; F528-W531 AromaticContact CD1-CD2 3.76Å; F528-W531 HydrophobicContact CD1-CD2 3.76Å; F528-W531 AromaticContact CD1-CE2 3.29Å; F528-W531 HydrophobicContact CD1-CE3 4.2Å; F528-W531 HydrophobicContact CD1-CG 4.36Å; F528-W531 AromaticContact CD1-CH2 3.85Å; F528-W531 HydrophobicContact CD1-CH2 3.85Å; F528-W531 AromaticContact CD1-CZ2 3.38Å; F528-W531 HydrophobicContact CD1-CZ2 3.38Å; F528-W531 HydrophobicContact CD1-CZ3 4.24Å; F528-W531 AromaticContact CD1-NE1 3.61Å; F528-W531 AromaticContact CE1-CE2 3.95Å; F528-W531 AromaticContact CE1-CH2 3.79Å; F528-W531 HydrophobicContact CE1-CH2 3.79Å; F528-W531 AromaticContact CE1-CZ2 3.51Å; F528-W531 HydrophobicContact CE1-CZ2 3.51Å; F528-W531 HydrophobicContact CE1-CZ3 4.46Å; F528-W531 HydrophobicContact CG-CD2 4.15Å; F528-W531 HydrophobicContact CG-CE3 4.44Å; F528-W531 HydrophobicContact CG-CZ2 4.44Å; F528-W531 VanDerWaalsContact O-CB 3.25Å; F528-W531 WeakPolarHBondContact O-CB 3.21Å; F528-W531 PolarHBondContact O-N 2.78Å
529	A	93.1	Very high	94.1	Very high	51 Å²	51	36.8 Å²	36.8	42%	0.421	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-51.2	-39.9	-175.7	0	0	0	0	0	113.5	Y523 A524 W531 M532	Y523-A529 PolarHBondContact O-N 3.26Å; A524-A529 HydrophobicContact CB-CB 3.98Å; A529-W531 PolarHBondContact O-N 3.46Å; A529-M532 PolarHBondContact O-N 3.49Å
530	D	90.9	Very high	94	Very high	102 Å²	102	36.9 Å²	36.9	55%	0.545	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-70.5	-10	-178.5	-68.5	-23.5	0	0	0	114	K282 F528 M532	K282-D530 IonicContact NZ-OD2 2.8Å; K282-D530 PolarHBondContact NZ-OD2 3.07Å; F528-D530 PolarHBondContact O-N 3.22Å; F528-D530 VanDerWaalsContact O-N 3.11Å; D530-M532 PolarHBondContact O-N 3.46Å
531	W	93.9	Very high	93.8	Very high	13 Å²	13	35.7 Å²	35.7	5%	0.049	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-81.5	-3.9	179	-62.7	27.1	0	0	0	112.4	I269 V285 W288 L489 A492 L496 Y523 F528 A529 P533	I269-W531 HydrophobicContact CD1-CZ2 3.71Å; V285-W531 HydrophobicContact CG1-CB 3.85Å; V285-W531 HydrophobicContact CG1-CG 4.32Å; V285-W531 VanDerWaalsContact CG1-O 3.28Å; V285-W531 WeakPolarHBondContact CG1-O 3.48Å; W288-W531 HydrophobicContact CH2-CB 4.3Å; W288-W531 AromaticContact CH2-CD1 3.45Å; W288-W531 VanDerWaalsContact CH2-CD1 3.45Å; W288-W531 AromaticContact CH2-CD2 3.44Å; W288-W531 HydrophobicContact CH2-CD2 3.44Å; W288-W531 VanDerWaalsContact CH2-CD2 3.44Å; W288-W531 AromaticContact CH2-CE2 3.29Å; W288-W531 HydrophobicContact CH2-CE3 4.19Å; W288-W531 AromaticContact CH2-CG 3.5Å; W288-W531 HydrophobicContact CH2-CG 3.5Å; W288-W531 VanDerWaalsContact CH2-CG 3.5Å; W288-W531 AromaticContact CH2-CZ2 3.93Å; W288-W531 HydrophobicContact CH2-CZ2 3.93Å; W288-W531 AromaticContact CH2-NE1 3.29Å; W288-W531 VanDerWaalsContact CH2-NE1 3.29Å; W288-W531 AromaticContact CZ3-CD2 3.58Å; W288-W531 HydrophobicContact CZ3-CD2 3.58Å; W288-W531 AromaticContact CZ3-CE2 3.58Å; W288-W531 AromaticContact CZ3-CE3 3.84Å; W288-W531 HydrophobicContact CZ3-CE3 3.84Å; W288-W531 HydrophobicContact CZ3-CG 4.06Å; W288-W531 HydrophobicContact CZ3-CH2 4.12Å; W288-W531 AromaticContact CZ3-CZ2 3.85Å; W288-W531 HydrophobicContact CZ3-CZ2 3.85Å; W288-W531 HydrophobicContact CZ3-CZ3 4.11Å; L489-W531 HydrophobicContact CB-CH2 4.38Å; L489-W531 HydrophobicContact CD2-CH2 3.72Å; L489-W531 HydrophobicContact CD2-CZ2 3.67Å; A492-W531 HydrophobicContact CB-CH2 3.75Å; A492-W531 HydrophobicContact CB-CZ3 3.86Å; L496-W531 HydrophobicContact CD1-CE3 4.4Å; Y523-W531 HydrophobicContact CD1-CB 3.84Å; Y523-W531 HydrophobicContact CE1-CB 4Å; F528-W531 HydrophobicContact CB-CB 4.34Å; F528-W531 HydrophobicContact CB-CD2 3.91Å; F528-W531 HydrophobicContact CB-CE3 4.39Å; F528-W531 HydrophobicContact CB-CG 3.85Å; F528-W531 AromaticContact CD1-CD2 3.76Å; F528-W531 HydrophobicContact CD1-CD2 3.76Å; F528-W531 AromaticContact CD1-CE2 3.29Å; F528-W531 HydrophobicContact CD1-CE3 4.2Å; F528-W531 HydrophobicContact CD1-CG 4.36Å; F528-W531 AromaticContact CD1-CH2 3.85Å; F528-W531 HydrophobicContact CD1-CH2 3.85Å; F528-W531 AromaticContact CD1-CZ2 3.38Å; F528-W531 HydrophobicContact CD1-CZ2 3.38Å; F528-W531 HydrophobicContact CD1-CZ3 4.24Å; F528-W531 AromaticContact CD1-NE1 3.61Å; F528-W531 AromaticContact CE1-CE2 3.95Å; F528-W531 AromaticContact CE1-CH2 3.79Å; F528-W531 HydrophobicContact CE1-CH2 3.79Å; F528-W531 AromaticContact CE1-CZ2 3.51Å; F528-W531 HydrophobicContact CE1-CZ2 3.51Å; F528-W531 HydrophobicContact CE1-CZ3 4.46Å; F528-W531 HydrophobicContact CG-CD2 4.15Å; F528-W531 HydrophobicContact CG-CE3 4.44Å; F528-W531 HydrophobicContact CG-CZ2 4.44Å; F528-W531 VanDerWaalsContact O-CB 3.25Å; F528-W531 WeakPolarHBondContact O-CB 3.21Å; F528-W531 PolarHBondContact O-N 2.78Å; A529-W531 PolarHBondContact O-N 3.46Å; W531-P533 VanDerWaalsContact O-CD 3.3Å; W531-P533 WeakPolarHBondContact O-CD 3.46Å
532	M	93.3	Very high	93.7	Very high	9 Å²	9	33.8 Å²	33.8	4%	0.044	20%	0.204	C	C	.	.	S	Bend	trans	-112.7	93.3	178.1	-74.4	-67.4	-63.3	0	0	110.4	C519 H520 Y523 A529 D530 H534 W538	C519-M532 HydrophobicContact CB-CE 3.98Å; H520-M532 VanDerWaalsContact CE1-CB 3.45Å; H520-M532 WeakPolarHBondContact CE1-CB 3.21Å; H520-M532 PolarHBondContact CE1-O 3.29Å; H520-M532 WeakPolarHBondContact ND1-CB 3.4Å; Y523-M532 HydrophobicContact CD1-CG 3.5Å; Y523-M532 VanDerWaalsContact CD1-CG 3.5Å; Y523-M532 HydrophobicContact CD1-SD 4.17Å; Y523-M532 HydrophobicContact CD2-CG 4.13Å; Y523-M532 HydrophobicContact CD2-SD 4.39Å; Y523-M532 HydrophobicContact CE1-CG 3.97Å; Y523-M532 HydrophobicContact CE1-SD 4.04Å; Y523-M532 HydrophobicContact CE2-SD 4.27Å; Y523-M532 HydrophobicContact CG-CG 3.57Å; Y523-M532 HydrophobicContact CG-SD 4.34Å; A529-M532 PolarHBondContact O-N 3.49Å; D530-M532 PolarHBondContact O-N 3.46Å; M532-H534 PolarHBondContact O-N 3.45Å; M532-W538 VanDerWaalsContact SD-CD1 3.56Å
533	P	92.3	Very high	93.5	Very high	12 Å²	12	35.1 Å²	35.1	8%	0.078	21%	0.214	C	C	.	.			trans	-63.4	137.1	176	-22.6	33.8	0	0	0	112.4	Y201 V285 W286 W531 G535 T536	Y201-P533 HydrophobicContact CE1-CG 4Å; V285-P533 HydrophobicContact CG2-CG 3.69Å; W286-P533 HydrophobicContact CE3-CG 4Å; W286-P533 HydrophobicContact CZ3-CB 3.74Å; W286-P533 HydrophobicContact CZ3-CG 3.49Å; W286-P533 VanDerWaalsContact CZ3-CG 3.49Å; W531-P533 VanDerWaalsContact O-CD 3.3Å; W531-P533 WeakPolarHBondContact O-CD 3.46Å; P533-G535 PolarHBondContact O-N 3.47Å; P533-T536 HydrophobicContact CB-CG2 4.02Å; P533-T536 PolarHBondContact O-N 3.01Å; P533-T536 PolarHBondContact O-OG1 3.13Å
534	H	90.6	Very high	93.3	Very high	164 Å²	164	37.8 Å²	37.8	76%	0.759	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	138.9	175.2	-64.1	-64	0	0	0	112.5	M532 T536	M532-H534 PolarHBondContact O-N 3.45Å; H534-T536 VanDerWaalsContact C-N 3.29Å
535	G	90.1	Very high	93.2	Very high	54 Å²	54	35.6 Å²	35.6	56%	0.557	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.9	12.7	179.5	0	0	0	0	0	114.5	C207 P533	C207-G535 PolarHBondContact N-O 2.95Å; C207-G535 VanDerWaalsContact SG-C 3.57Å; C207-G535 PolarHBondContact SG-O 2.78Å; P533-G535 PolarHBondContact O-N 3.47Å
536	T	93.1	Very high	93.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.006	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-113.9	151.1	175.9	71	0	0	0	0	112	Y201 K202 Y205 P533 H534	Y201-T536 HydrophobicContact CD1-CG2 4.4Å; Y201-T536 HydrophobicContact CE1-CG2 4.15Å; K202-T536 HydrophobicContact CG-CG2 4.21Å; Y205-T536 CarbonylContact O-C 3.59Å; Y205-T536 WeakPolarHBondContact O-CA 3.42Å; P533-T536 HydrophobicContact CB-CG2 4.02Å; P533-T536 PolarHBondContact O-N 3.01Å; P533-T536 PolarHBondContact O-OG1 3.13Å; H534-T536 VanDerWaalsContact C-N 3.29Å
537	A	93.9	Very high	93	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.017	21%	0.205	C	C	.	.			trans	-145.5	77.7	-175.1	0	0	0	0	0	109.6	Y205 V516 L539 H540	Y205-A537 PolarHBondContact O-N 2.7Å; V516-A537 HydrophobicContact CG2-CB 3.57Å; A537-L539 PolarHBondContact O-N 3.36Å; A537-H540 HydrophobicContact CB-CB 4.32Å; A537-H540 WeakPolarHBondContact CB-ND1 3.3Å; A537-H540 WeakPolarHBondContact O-CB 3.22Å; A537-H540 PolarHBondContact O-N 2.94Å; A537-H540 VanDerWaalsContact O-N 3.08Å
538	W	93	Very high	92.8	Very high	18 Å²	18	36.3 Å²	36.3	7%	0.068	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-57.1	-33.3	178.6	70.5	-100.2	0	0	0	112.4	Y205 M497 A500 Y523 M532 H540 R541 F542	Y205-W538 VanDerWaalsContact CD1-CA 3.46Å; Y205-W538 HydrophobicContact CD1-CB 3.91Å; Y205-W538 HydrophobicContact CE1-CB 3.87Å; Y205-W538 HydrophobicContact CG-CB 4.46Å; M497-W538 HydrophobicContact CB-CH2 3.87Å; M497-W538 HydrophobicContact CB-CZ3 4.19Å; M497-W538 HydrophobicContact CE-CE3 4.24Å; M497-W538 HydrophobicContact CE-CZ3 3.83Å; M497-W538 HydrophobicContact CG-CE3 4.22Å; M497-W538 HydrophobicContact CG-CH2 3.57Å; M497-W538 HydrophobicContact CG-CZ2 4.01Å; M497-W538 HydrophobicContact CG-CZ3 3.66Å; M497-W538 HydrophobicContact SD-CZ3 4.33Å; A500-W538 HydrophobicContact CB-CH2 4.13Å; A500-W538 HydrophobicContact CB-CZ2 4.05Å; Y523-W538 HydrophobicContact CE2-CZ2 4.48Å; Y523-W538 AromaticContact CE2-NE1 3.94Å; Y523-W538 AromaticContact CZ-NE1 3.9Å; M532-W538 VanDerWaalsContact SD-CD1 3.56Å; W538-H540 PolarHBondContact O-N 3Å; W538-R541 PolarHBondContact O-N 3.24Å; W538-F542 HydrophobicContact CE3-CB 4.01Å; W538-F542 HydrophobicContact CE3-CG 4.31Å; W538-F542 HydrophobicContact CH2-CD1 4.29Å; W538-F542 HydrophobicContact CZ3-CB 3.7Å; W538-F542 AromaticContact CZ3-CD1 3.75Å; W538-F542 HydrophobicContact CZ3-CD1 3.75Å; W538-F542 HydrophobicContact CZ3-CD2 4.08Å; W538-F542 HydrophobicContact CZ3-CE1 4.35Å; W538-F542 AromaticContact CZ3-CG 3.58Å; W538-F542 HydrophobicContact CZ3-CG 3.58Å; W538-F542 PolarHBondContact O-N 3.35Å
539	L	94.5	Very high	92.8	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.016	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-58.5	-31.7	179	-167.1	72.9	0	0	0	112.1	F173 L215 L504 T515 A537 R541 F542 I545	F173-L539 WeakPolarHBondContact CZ-O 3.19Å; L215-L539 HydrophobicContact CD2-CD2 3.59Å; L215-L539 HydrophobicContact CD2-CG 3.81Å; L504-L539 HydrophobicContact CD1-CD1 4.22Å; L504-L539 HydrophobicContact CD1-CD2 3.56Å; T515-L539 HydrophobicContact CG2-CD2 4.28Å; A537-L539 PolarHBondContact O-N 3.36Å; L539-R541 PolarHBondContact O-N 3.35Å; L539-F542 HydrophobicContact CD1-CB 4.25Å; L539-F542 HydrophobicContact CD1-CD1 3.85Å; L539-F542 HydrophobicContact CD1-CG 4.49Å; L539-F542 WeakPolarHBondContact O-CB 3.25Å; L539-F542 PolarHBondContact O-N 3.48Å; L539-I545 HydrophobicContact CD1-CD1 4.07Å
540	H	94.2	Very high	92.9	Very high	3 Å²	3	34 Å²	34	1%	0.014	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-68.4	-2.9	176	-63.7	179.9	0	0	0	114.2	S208 Q211 E212 A537 W538	S208-H540 PolarHBondContact N-ND1 3.01Å; S208-H540 PolarHBondContact O-CE1 3.28Å; Q211-H540 HydrophobicContact CB-CB 3.72Å; Q211-H540 HydrophobicContact CG-CB 4.22Å; E212-H540 IonicContact OE2-CD2 2.78Å; E212-H540 IonicContact OE2-NE2 2.77Å; E212-H540 PolarHBondContact OE2-NE2 2.91Å; E212-H540 VanDerWaalsContact OE2-NE2 3.08Å; A537-H540 HydrophobicContact CB-CB 4.32Å; A537-H540 WeakPolarHBondContact CB-ND1 3.3Å; A537-H540 WeakPolarHBondContact O-CB 3.22Å; A537-H540 PolarHBondContact O-N 2.94Å; A537-H540 VanDerWaalsContact O-N 3.08Å; W538-H540 PolarHBondContact O-N 3Å
541	R	91.5	Very high	93.1	Very high	25 Å²	25	31.9 Å²	31.9	9%	0.094	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-118.4	0.4	173.8	-56.3	-65.8	175.8	-84	-11.6	111.9	S177 Y204 Y205 W538 L539 S543	S177-R541 WeakPolarHBondContact O-CD 3.32Å; Y204-R541 HydrophobicContact CD1-CG 4.41Å; Y204-R541 HydrophobicContact CE1-CB 4.17Å; Y204-R541 HydrophobicContact CE1-CG 3.93Å; Y204-R541 PolarHBondContact O-NE 3.33Å; Y204-R541 PolarHBondContact O-NH2 3.43Å; Y205-R541 HydrophobicContact CD1-CB 4.31Å; Y205-R541 HydrophobicContact CD1-CG 3.87Å; Y205-R541 HydrophobicContact CE1-CB 4.06Å; Y205-R541 HydrophobicContact CE1-CG 4.08Å; W538-R541 PolarHBondContact O-N 3.24Å; L539-R541 PolarHBondContact O-N 3.35Å; R541-S543 VanDerWaalsContact C-N 3.29Å; R541-S543 PolarHBondContact O-N 2.93Å
542	F	93.1	Very high	93.2	Very high	8 Å²	8	32 Å²	32	4%	0.035	18%	0.175	C	C	.	.			trans	-83.1	72.3	-174.3	-174.5	-134.8	0	0	0	111.7	M497 D501 W538 L539 H544 I545 Y552	M497-F542 HydrophobicContact CE-CD2 3.35Å; M497-F542 HydrophobicContact CE-CE2 3.17Å; M497-F542 HydrophobicContact CE-CG 4.24Å; M497-F542 HydrophobicContact CE-CZ 3.94Å; D501-F542 HydrophobicContact CB-CE1 4.33Å; W538-F542 HydrophobicContact CE3-CB 4.01Å; W538-F542 HydrophobicContact CE3-CG 4.31Å; W538-F542 HydrophobicContact CH2-CD1 4.29Å; W538-F542 HydrophobicContact CZ3-CB 3.7Å; W538-F542 AromaticContact CZ3-CD1 3.75Å; W538-F542 HydrophobicContact CZ3-CD1 3.75Å; W538-F542 HydrophobicContact CZ3-CD2 4.08Å; W538-F542 HydrophobicContact CZ3-CE1 4.35Å; W538-F542 AromaticContact CZ3-CG 3.58Å; W538-F542 HydrophobicContact CZ3-CG 3.58Å; W538-F542 PolarHBondContact O-N 3.35Å; L539-F542 HydrophobicContact CD1-CB 4.25Å; L539-F542 HydrophobicContact CD1-CD1 3.85Å; L539-F542 HydrophobicContact CD1-CG 4.49Å; L539-F542 WeakPolarHBondContact O-CB 3.25Å; L539-F542 PolarHBondContact O-N 3.48Å; F542-H544 HydrophobicContact CD2-CB 4.12Å; F542-H544 HydrophobicContact CE2-CB 3.57Å; F542-H544 HydrophobicContact CZ-CB 3.86Å; F542-H544 PolarHBondContact O-N 2.8Å; F542-H544 VanDerWaalsContact O-N 3.1Å; F542-I545 HydrophobicContact CD1-CB 3.78Å; F542-I545 HydrophobicContact CD1-CD1 4.38Å; F542-I545 HydrophobicContact CD1-CG1 4.49Å; F542-I545 HydrophobicContact CE1-CB 4.11Å; F542-I545 WeakPolarHBondContact O-CB 3.27Å; F542-I545 WeakPolarHBondContact O-CG2 3.37Å; F542-I545 PolarHBondContact O-N 2.68Å; F542-I545 VanDerWaalsContact O-N 3.12Å; F542-Y552 HydrophobicContact CE1-CG 4.48Å; F542-Y552 HydrophobicContact CE2-CD1 4.41Å; F542-Y552 AromaticContact CE2-CD2 3.92Å; F542-Y552 HydrophobicContact CE2-CD2 3.92Å; F542-Y552 HydrophobicContact CE2-CE1 4.05Å; F542-Y552 AromaticContact CE2-CE2 3.54Å; F542-Y552 HydrophobicContact CE2-CE2 3.54Å; F542-Y552 HydrophobicContact CE2-CG 4.33Å; F542-Y552 AromaticContact CE2-CZ 3.6Å; F542-Y552 AromaticContact CZ-CD1 3.73Å; F542-Y552 HydrophobicContact CZ-CD1 3.73Å; F542-Y552 AromaticContact CZ-CD2 3.49Å; F542-Y552 HydrophobicContact CZ-CD2 3.49Å; F542-Y552 VanDerWaalsContact CZ-CD2 3.49Å; F542-Y552 AromaticContact CZ-CE1 3.83Å; F542-Y552 HydrophobicContact CZ-CE1 3.83Å; F542-Y552 AromaticContact CZ-CE2 3.61Å; F542-Y552 HydrophobicContact CZ-CE2 3.61Å; F542-Y552 AromaticContact CZ-CG 3.54Å; F542-Y552 HydrophobicContact CZ-CG 3.54Å; F542-Y552 AromaticContact CZ-CZ 3.76Å
543	S	91.8	Very high	93.4	Very high	40 Å²	40	31.9 Å²	31.9	28%	0.28	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-55.7	-29.5	-176.5	58	0	0	0	0	113.8	R541 I545 V546 P547	R541-S543 VanDerWaalsContact C-N 3.29Å; R541-S543 PolarHBondContact O-N 2.93Å; S543-I545 PolarHBondContact O-N 3.18Å; S543-V546 PolarHBondContact O-N 3.36Å; S543-P547 WeakPolarHBondContact O-CD 3.34Å
544	H	91.9	Very high	93.5	Very high	67 Å²	67	31.5 Å²	31.5	31%	0.31	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-58.3	-27.2	178.5	-65.7	84	0	0	0	113.4	F542 V546 P547 Y548 Y552	F542-H544 HydrophobicContact CD2-CB 4.12Å; F542-H544 HydrophobicContact CE2-CB 3.57Å; F542-H544 HydrophobicContact CZ-CB 3.86Å; F542-H544 PolarHBondContact O-N 2.8Å; F542-H544 VanDerWaalsContact O-N 3.1Å; H544-V546 PolarHBondContact O-N 3.36Å; H544-P547 WeakPolarHBondContact O-CD 3.17Å; H544-Y548 HydrophobicContact CB-CD2 4.32Å; H544-Y548 AromaticContact CD2-CD2 4Å; H544-Y548 WeakPolarHBondContact O-CA 3.44Å; H544-Y548 VanDerWaalsContact O-CB 3.32Å; H544-Y548 WeakPolarHBondContact O-CB 3.4Å; H544-Y548 PolarHBondContact O-N 2.8Å; H544-Y552 HydrophobicContact CB-CD2 3.8Å; H544-Y552 HydrophobicContact CB-CE2 3.79Å; H544-Y552 AromaticContact CD2-CE2 3.96Å; H544-Y552 AromaticContact CG-CE2 3.75Å
545	I	94.8	Very high	93.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-59.1	-21.1	176.8	-156.6	160.3	0	0	0	112.5	F173 L215 R222 L504 L539 F542 S543 G549	F173-I545 HydrophobicContact CE1-CG2 3.83Å; F173-I545 HydrophobicContact CZ-CG2 4.27Å; L215-I545 HydrophobicContact CD1-CD1 4.08Å; L215-I545 HydrophobicContact CD1-CG2 3.92Å; R222-I545 PolarHBondContact NH1-O 3.06Å; L504-I545 HydrophobicContact CD1-CD1 4.02Å; L539-I545 HydrophobicContact CD1-CD1 4.07Å; F542-I545 HydrophobicContact CD1-CB 3.78Å; F542-I545 HydrophobicContact CD1-CD1 4.38Å; F542-I545 HydrophobicContact CD1-CG1 4.49Å; F542-I545 HydrophobicContact CE1-CB 4.11Å; F542-I545 WeakPolarHBondContact O-CB 3.27Å; F542-I545 WeakPolarHBondContact O-CG2 3.37Å; F542-I545 PolarHBondContact O-N 2.68Å; F542-I545 VanDerWaalsContact O-N 3.12Å; S543-I545 PolarHBondContact O-N 3.18Å; I545-G549 VanDerWaalsContact O-CA 3.27Å; I545-G549 WeakPolarHBondContact O-CA 3.3Å; I545-G549 PolarHBondContact O-N 3.46Å
546	V	94.9	Very high	93.9	Very high	29 Å²	29	24.4 Å²	24.4	18%	0.176	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-64.6	178.5	-176.4	0	0	0	0	111.5	F173 V174 L218 R222 S543 H544	F173-V546 HydrophobicContact CD1-CG2 3.74Å; F173-V546 HydrophobicContact CE1-CG2 4.38Å; V174-V546 HydrophobicContact CG2-CB 3.92Å; V174-V546 HydrophobicContact CG2-CG1 4.33Å; V174-V546 HydrophobicContact CG2-CG2 3.73Å; L218-V546 HydrophobicContact CD2-CG2 3.87Å; R222-V546 PolarHBondContact NH2-O 2.72Å; S543-V546 PolarHBondContact O-N 3.36Å; H544-V546 PolarHBondContact O-N 3.36Å
547	P	90.9	Very high	94.1	Very high	96 Å²	96	24.4 Å²	24.4	62%	0.623	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-30	178.5	26.4	-31.3	0	0	0	113.9	S543 H544	S543-P547 WeakPolarHBondContact O-CD 3.34Å; H544-P547 WeakPolarHBondContact O-CD 3.17Å
548	Y	92.2	Very high	94.1	Very high	64 Å²	64	24.3 Å²	24.3	25%	0.251	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.9	28	-174.5	-61	-83.3	0	0	0	113.3	T448 H544 S550 K551 Y552 Y555	T448-Y548 HydrophobicContact CG2-CD1 4.19Å; T448-Y548 HydrophobicContact CG2-CE1 3.93Å; H544-Y548 HydrophobicContact CB-CD2 4.32Å; H544-Y548 AromaticContact CD2-CD2 4Å; H544-Y548 WeakPolarHBondContact O-CA 3.44Å; H544-Y548 VanDerWaalsContact O-CB 3.32Å; H544-Y548 WeakPolarHBondContact O-CB 3.4Å; H544-Y548 PolarHBondContact O-N 2.8Å; Y548-S550 PolarHBondContact O-N 3.3Å; Y548-S550 VanDerWaalsContact O-N 3.16Å; Y548-K551 CarbonylContact O-C 3.53Å; Y548-K551 WeakPolarHBondContact O-CA 3.26Å; Y548-K551 WeakPolarHBondContact O-CB 3.19Å; Y548-K551 PolarHBondContact O-N 2.96Å; Y548-Y552 PolarHBondContact O-N 3.29Å; Y548-Y555 WeakPolarHBondContact CE2-OH 3.4Å
549	G	94.8	Very high	94.2	Very high	3 Å²	3	26.3 Å²	26.3	3%	0.031	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	122.9	-179.2	0	0	0	0	0	112.5	Y234 H505 I545 K551	Y234-G549 WeakPolarHBondContact CE1-O 3.26Å; H505-G549 WeakPolarHBondContact CE1-CA 3.34Å; I545-G549 VanDerWaalsContact O-CA 3.27Å; I545-G549 WeakPolarHBondContact O-CA 3.3Å; I545-G549 PolarHBondContact O-N 3.46Å; G549-K551 PolarHBondContact O-N 3.17Å
550	S	95.8	Very high	94.3	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	15.8	-171	-167.5	0	0	0	0	115.8	A235 L239 D501 H505 Y548	A235-S550 WeakPolarHBondContact CA-OG 3.47Å; A235-S550 WeakPolarHBondContact CB-OG 3.2Å; L239-S550 VanDerWaalsContact CD2-O 3.24Å; L239-S550 WeakPolarHBondContact CD2-O 3.27Å; D501-S550 VanDerWaalsContact CG-N 3.25Å; D501-S550 PolarHBondContact OD1-N 2.87Å; D501-S550 WeakPolarHBondContact OD2-CA 3.49Å; D501-S550 PolarHBondContact OD2-N 3.1Å; H505-S550 PolarHBondContact CE1-N 2.98Å; H505-S550 PolarHBondContact ND1-N 3.34Å; Y548-S550 PolarHBondContact O-N 3.3Å; Y548-S550 VanDerWaalsContact O-N 3.16Å
551	K	95.4	Very high	94.4	Very high	58 Å²	58	26 Å²	26	25%	0.252	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.6	3.7	-178.6	-62.3	-176.1	176.9	-171.8	0	112.4	A238 M242 D501 Y548 G549 S553 S554	A238-K551 HydrophobicContact CB-CG 4.32Å; A238-K551 WeakPolarHBondContact O-CE 3.39Å; M242-K551 HydrophobicContact CE-CB 4.31Å; M242-K551 HydrophobicContact CE-CD 4.26Å; M242-K551 HydrophobicContact CE-CG 4.12Å; D501-K551 PolarHBondContact OD2-N 2.86Å; D501-K551 VanDerWaalsContact OD2-N 3.17Å; Y548-K551 CarbonylContact O-C 3.53Å; Y548-K551 WeakPolarHBondContact O-CA 3.26Å; Y548-K551 WeakPolarHBondContact O-CB 3.19Å; Y548-K551 PolarHBondContact O-N 2.96Å; G549-K551 PolarHBondContact O-N 3.17Å; K551-S553 PolarHBondContact O-N 2.85Å; K551-S554 WeakPolarHBondContact O-CB 3.46Å; K551-S554 PolarHBondContact O-N 2.67Å; K551-S554 PolarHBondContact O-OG 2.8Å
552	Y	96.2	Very high	94.5	Very high	16 Å²	16	24.9 Å²	24.9	6%	0.063	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.5	-178	-166.5	-109.2	0	0	0	113.3	Q494 M497 A498 D501 F542 H544 Y548 S554 Y555	Q494-Y552 PolarHBondContact OE1-OH 3.38Å; M497-Y552 HydrophobicContact CB-CD1 4.22Å; M497-Y552 HydrophobicContact CB-CE1 3.8Å; M497-Y552 HydrophobicContact CE-CE1 4.21Å; A498-Y552 HydrophobicContact CB-CD1 3.96Å; D501-Y552 WeakPolarHBondContact OD2-CB 3.37Å; D501-Y552 PolarHBondContact OD2-N 2.76Å; D501-Y552 VanDerWaalsContact OD2-N 3.1Å; F542-Y552 HydrophobicContact CE1-CG 4.48Å; F542-Y552 HydrophobicContact CE2-CD1 4.41Å; F542-Y552 AromaticContact CE2-CD2 3.92Å; F542-Y552 HydrophobicContact CE2-CD2 3.92Å; F542-Y552 HydrophobicContact CE2-CE1 4.05Å; F542-Y552 AromaticContact CE2-CE2 3.54Å; F542-Y552 HydrophobicContact CE2-CE2 3.54Å; F542-Y552 HydrophobicContact CE2-CG 4.33Å; F542-Y552 AromaticContact CE2-CZ 3.6Å; F542-Y552 AromaticContact CZ-CD1 3.73Å; F542-Y552 HydrophobicContact CZ-CD1 3.73Å; F542-Y552 AromaticContact CZ-CD2 3.49Å; F542-Y552 HydrophobicContact CZ-CD2 3.49Å; F542-Y552 VanDerWaalsContact CZ-CD2 3.49Å; F542-Y552 AromaticContact CZ-CE1 3.83Å; F542-Y552 HydrophobicContact CZ-CE1 3.83Å; F542-Y552 AromaticContact CZ-CE2 3.61Å; F542-Y552 HydrophobicContact CZ-CE2 3.61Å; F542-Y552 AromaticContact CZ-CG 3.54Å; F542-Y552 HydrophobicContact CZ-CG 3.54Å; F542-Y552 AromaticContact CZ-CZ 3.76Å; H544-Y552 HydrophobicContact CB-CD2 3.8Å; H544-Y552 HydrophobicContact CB-CE2 3.79Å; H544-Y552 AromaticContact CD2-CE2 3.96Å; H544-Y552 AromaticContact CG-CE2 3.75Å; Y548-Y552 PolarHBondContact O-N 3.29Å; Y552-S554 PolarHBondContact O-N 3.18Å; Y552-Y555 AromaticContact CD2-CD2 3.84Å; Y552-Y555 HydrophobicContact CD2-CD2 3.84Å; Y552-Y555 AromaticContact CD2-CE2 3.84Å; Y552-Y555 HydrophobicContact CD2-CE2 3.84Å; Y552-Y555 AromaticContact CE2-CD2 3.8Å; Y552-Y555 HydrophobicContact CE2-CD2 3.8Å; Y552-Y555 AromaticContact CE2-CE2 3.79Å; Y552-Y555 HydrophobicContact CE2-CE2 3.79Å; Y552-Y555 HydrophobicContact CG-CD2 4.46Å; Y552-Y555 WeakPolarHBondContact O-CD2 3.33Å; Y552-Y555 PolarHBondContact O-N 3.43Å
553	S	96.7	Very high	94.6	Very high	6 Å²	6	24.5 Å²	24.5	4%	0.042	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.6	172.3	59.3	0	0	0	0	114	V250 K551 Y555 L556 V557	V250-S553 WeakPolarHBondContact CG1-OG 3.4Å; K551-S553 PolarHBondContact O-N 2.85Å; S553-Y555 PolarHBondContact O-N 3.43Å; S553-L556 PolarHBondContact O-N 3.38Å; S553-L556 VanDerWaalsContact O-N 3.16Å; S553-V557 WeakPolarHBondContact O-CG2 3.48Å; S553-V557 PolarHBondContact O-N 2.79Å
554	S	94.7	Very high	94.7	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.021	12%	0.115	C	C	.	.	H	α-helix	trans	-56.3	-34.6	179.8	-52.7	0	0	0	0	112.4	M242 K551 Y552 V557 A558	M242-S554 WeakPolarHBondContact CE-OG 3.3Å; K551-S554 WeakPolarHBondContact O-CB 3.46Å; K551-S554 PolarHBondContact O-N 2.67Å; K551-S554 PolarHBondContact O-OG 2.8Å; Y552-S554 PolarHBondContact O-N 3.18Å; S554-V557 PolarHBondContact O-N 2.77Å; S554-A558 WeakPolarHBondContact O-CB 3.46Å; S554-A558 PolarHBondContact O-N 3.18Å
555	Y	93.5	Very high	94.8	Very high	60 Å²	60	20.4 Å²	20.4	24%	0.235	10%	0.1	C	C	.	.	H	α-helix	trans	-62.6	-47.5	177.3	-69.3	-66	0	0	0	112.1	Y548 Y552 S553 A558 R559	Y548-Y555 WeakPolarHBondContact CE2-OH 3.4Å; Y552-Y555 AromaticContact CD2-CD2 3.84Å; Y552-Y555 HydrophobicContact CD2-CD2 3.84Å; Y552-Y555 AromaticContact CD2-CE2 3.84Å; Y552-Y555 HydrophobicContact CD2-CE2 3.84Å; Y552-Y555 AromaticContact CE2-CD2 3.8Å; Y552-Y555 HydrophobicContact CE2-CD2 3.8Å; Y552-Y555 AromaticContact CE2-CE2 3.79Å; Y552-Y555 HydrophobicContact CE2-CE2 3.79Å; Y552-Y555 HydrophobicContact CG-CD2 4.46Å; Y552-Y555 WeakPolarHBondContact O-CD2 3.33Å; Y552-Y555 PolarHBondContact O-N 3.43Å; S553-Y555 PolarHBondContact O-N 3.43Å; Y555-A558 PolarHBondContact O-N 3.37Å; Y555-R559 WeakPolarHBondContact O-CB 3.47Å; Y555-R559 PolarHBondContact O-N 2.89Å
556	L	96.1	Very high	94.8	Very high	9 Å²	9	21.1 Å²	21.1	5%	0.047	10%	0.103	C	C	.	.	H	α-helix	trans	-70.1	-38.8	178.5	-69.2	-178	0	0	0	112.1	F253 L254 L491 Q494 A495 S553 R559 A560 L616	F253-L556 HydrophobicContact CE1-CB 3.78Å; F253-L556 HydrophobicContact CZ-CB 3.83Å; L254-L556 HydrophobicContact CD2-CD1 4.08Å; L491-L556 HydrophobicContact CD1-CD1 4.3Å; L491-L556 HydrophobicContact CD1-CD2 3.58Å; Q494-L556 HydrophobicContact CB-CD1 4.08Å; Q494-L556 HydrophobicContact CB-CD2 3.97Å; Q494-L556 HydrophobicContact CB-CG 4.25Å; A495-L556 HydrophobicContact CB-CD1 4.02Å; S553-L556 PolarHBondContact O-N 3.38Å; S553-L556 VanDerWaalsContact O-N 3.16Å; L556-R559 PolarHBondContact O-N 3.41Å; L556-A560 WeakPolarHBondContact O-CB 3.36Å; L556-A560 PolarHBondContact O-N 2.87Å; L556-L616 HydrophobicContact CB-CD1 4.45Å
557	V	96	Very high	94.7	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	10%	0.104	C	C	.	.	H	α-helix	trans	-61.8	-47.2	175.3	172.4	0	0	0	0	110.3	L243 L244 F253 D449 S553 S554 R559 A560 V561 L612	L243-V557 HydrophobicContact CB-CG1 4.28Å; L243-V557 HydrophobicContact CD1-CG1 4.03Å; L244-V557 HydrophobicContact CD1-CG2 3.61Å; L244-V557 HydrophobicContact CG-CG2 4.07Å; F253-V557 HydrophobicContact CD1-CG2 3.95Å; F253-V557 HydrophobicContact CE1-CG2 3.64Å; F253-V557 HydrophobicContact CZ-CG2 4.16Å; D449-V557 HydrophobicContact CB-CB 4.43Å; D449-V557 HydrophobicContact CB-CG1 4.14Å; S553-V557 WeakPolarHBondContact O-CG2 3.48Å; S553-V557 PolarHBondContact O-N 2.79Å; S554-V557 PolarHBondContact O-N 2.77Å; V557-R559 PolarHBondContact O-N 3.28Å; V557-A560 WeakPolarHBondContact O-CB 3.28Å; V557-A560 PolarHBondContact O-N 3.25Å; V557-V561 HydrophobicContact CG1-CG2 4.44Å; V557-V561 VanDerWaalsContact O-CG2 3.26Å; V557-V561 WeakPolarHBondContact O-CG2 3.2Å; V557-V561 PolarHBondContact O-N 3.32Å; V557-L612 HydrophobicContact CG1-CD1 4.3Å
558	A	95.1	Very high	94.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-62.3	-44.2	179.1	0	0	0	0	0	112.3	D449 E452 V453 S554 Y555 V561 A562	D449-A558 WeakPolarHBondContact O-CB 3.33Å; E452-A558 HydrophobicContact CB-CB 3.35Å; E452-A558 HydrophobicContact CG-CB 4.5Å; V453-A558 HydrophobicContact CG2-CB 4.16Å; S554-A558 WeakPolarHBondContact O-CB 3.46Å; S554-A558 PolarHBondContact O-N 3.18Å; Y555-A558 PolarHBondContact O-N 3.37Å; A558-V561 PolarHBondContact O-N 2.91Å; A558-A562 WeakPolarHBondContact O-CB 3.38Å; A558-A562 PolarHBondContact O-N 3.4Å
559	R	95.2	Very high	94.9	Very high	60 Å²	60	21.5 Å²	21.5	23%	0.226	9%	0.093	C	C	.	.	H	α-helix	trans	-59.7	-46.2	174.1	-176.2	177.6	170.6	177.7	-1.3	111.6	Y555 L556 V557 V561 A562 L563 L616 D619	Y555-R559 WeakPolarHBondContact O-CB 3.47Å; Y555-R559 PolarHBondContact O-N 2.89Å; L556-R559 PolarHBondContact O-N 3.41Å; V557-R559 PolarHBondContact O-N 3.28Å; R559-V561 VanDerWaalsContact C-N 3.34Å; R559-V561 PolarHBondContact O-N 3Å; R559-A562 PolarHBondContact O-N 3.47Å; R559-L563 HydrophobicContact CG-CD1 3.94Å; R559-L563 HydrophobicContact CG-CG 4.45Å; R559-L563 WeakPolarHBondContact O-CB 3.36Å; R559-L563 WeakPolarHBondContact O-CG 3.38Å; R559-L563 PolarHBondContact O-N 3.43Å; R559-L616 HydrophobicContact CB-CD2 4.17Å; R559-L616 HydrophobicContact CG-CD2 3.85Å; R559-D619 IonicContact CZ-OD2 3.69Å; R559-D619 IonicContact NE-OD2 3.3Å; R559-D619 IonicContact NH2-OD2 2.67Å; R559-D619 PolarHBondContact NH2-OD2 3.29Å
560	A	96	Very high	94.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.2	-46	177.6	0	0	0	0	0	111.7	L556 V557 L563 L564 L612 V615 L616	L556-A560 WeakPolarHBondContact O-CB 3.36Å; L556-A560 PolarHBondContact O-N 2.87Å; V557-A560 WeakPolarHBondContact O-CB 3.28Å; V557-A560 PolarHBondContact O-N 3.25Å; A560-L563 PolarHBondContact O-N 2.93Å; A560-L564 VanDerWaalsContact O-CB 3.27Å; A560-L564 WeakPolarHBondContact O-CB 3.31Å; A560-L564 PolarHBondContact O-N 3.27Å; A560-L612 HydrophobicContact CB-CB 3.93Å; A560-L612 HydrophobicContact CB-CD2 3.96Å; A560-L612 VanDerWaalsContact CB-O 3.29Å; A560-L612 WeakPolarHBondContact CB-O 3.5Å; A560-V615 HydrophobicContact CB-CG1 3.82Å; A560-V615 WeakPolarHBondContact O-CG1 3.23Å; A560-L616 HydrophobicContact CB-CD1 4.01Å; A560-L616 HydrophobicContact CB-CD2 4.1Å; A560-L616 HydrophobicContact CB-CG 3.78Å
561	V	94.9	Very high	94.6	Very high	1 Å²	1	26 Å²	26	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-64.3	-43.1	178.2	172.7	0	0	0	0	111.6	L243 V453 V557 A558 R559 L564 Y565 L599 L612	L243-V561 HydrophobicContact CD1-CG2 4.06Å; V453-V561 HydrophobicContact CB-CG1 4.43Å; V453-V561 HydrophobicContact CG1-CB 4.41Å; V453-V561 HydrophobicContact CG1-CG1 3.73Å; V453-V561 HydrophobicContact CG2-CB 3.96Å; V453-V561 HydrophobicContact CG2-CG1 3.73Å; V557-V561 HydrophobicContact CG1-CG2 4.44Å; V557-V561 VanDerWaalsContact O-CG2 3.26Å; V557-V561 WeakPolarHBondContact O-CG2 3.2Å; V557-V561 PolarHBondContact O-N 3.32Å; A558-V561 PolarHBondContact O-N 2.91Å; R559-V561 VanDerWaalsContact C-N 3.34Å; R559-V561 PolarHBondContact O-N 3Å; V561-L564 PolarHBondContact O-N 3.16Å; V561-Y565 PolarHBondContact O-N 3.21Å; V561-L599 HydrophobicContact CB-CD2 4.46Å; V561-L599 HydrophobicContact CG1-CD1 3.47Å; V561-L599 VanDerWaalsContact CG1-CD1 3.47Å; V561-L599 HydrophobicContact CG1-CD2 3.77Å; V561-L599 HydrophobicContact CG1-CG 4.25Å; V561-L599 HydrophobicContact CG2-CD2 3.8Å; V561-L612 HydrophobicContact CG2-CD2 3.71Å
562	A	95	Very high	94.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-62	-46.1	177	0	0	0	0	0	111.9	V453 N456 L457 A558 R559 Y565 W566	V453-A562 HydrophobicContact CG1-CB 4.36Å; N456-A562 HydrophobicContact CB-CB 3.62Å; L457-A562 HydrophobicContact CB-CB 4.04Å; A558-A562 WeakPolarHBondContact O-CB 3.38Å; A558-A562 PolarHBondContact O-N 3.4Å; R559-A562 PolarHBondContact O-N 3.47Å; A562-Y565 PolarHBondContact O-N 3.4Å; A562-W566 WeakPolarHBondContact O-CB 3.42Å; A562-W566 PolarHBondContact O-N 2.74Å
563	L	94.6	Very high	94.4	Very high	0 Å²	0	37 Å²	37	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-62.2	-43.3	175.5	-73.1	166.4	0	0	0	111.7	R559 A560 Y565 W566 H567 V615 L616 D619	R559-L563 HydrophobicContact CG-CD1 3.94Å; R559-L563 HydrophobicContact CG-CG 4.45Å; R559-L563 WeakPolarHBondContact O-CB 3.36Å; R559-L563 WeakPolarHBondContact O-CG 3.38Å; R559-L563 PolarHBondContact O-N 3.43Å; A560-L563 PolarHBondContact O-N 2.93Å; L563-Y565 VanDerWaalsContact C-N 3.29Å; L563-Y565 PolarHBondContact O-N 2.91Å; L563-W566 WeakPolarHBondContact O-CB 3.32Å; L563-W566 PolarHBondContact O-N 3.39Å; L563-W566 VanDerWaalsContact O-N 3.1Å; L563-H567 PolarHBondContact O-CD2 3.45Å; L563-H567 PolarHBondContact O-N 3.14Å; L563-V615 HydrophobicContact CB-CG2 3.88Å; L563-L616 HydrophobicContact CD1-CD2 3.95Å; L563-D619 HydrophobicContact CD1-CB 3.61Å; L563-D619 HydrophobicContact CD2-CB 4Å; L563-D619 WeakPolarHBondContact CD2-OD1 3.47Å; L563-D619 HydrophobicContact CG-CB 4.43Å
564	L	94.5	Very high	94.2	Very high	22 Å²	22	37 Å²	37	12%	0.115	16%	0.157	C	C	.	.	H	α-helix	trans	-60	-41.3	177.9	-175.6	60.4	0	0	0	112	A560 V561 R568 I603 Y605 P607 V615	A560-L564 VanDerWaalsContact O-CB 3.27Å; A560-L564 WeakPolarHBondContact O-CB 3.31Å; A560-L564 PolarHBondContact O-N 3.27Å; V561-L564 PolarHBondContact O-N 3.16Å; L564-R568 WeakPolarHBondContact O-CB 3.44Å; L564-R568 PolarHBondContact O-N 2.93Å; L564-I603 HydrophobicContact CD2-CD1 3.24Å; L564-I603 HydrophobicContact CG-CD1 3.79Å; L564-Y605 WeakPolarHBondContact CD1-OH 3.36Å; L564-P607 HydrophobicContact CD2-CB 3.9Å; L564-P607 HydrophobicContact CD2-CG 4.13Å; L564-V615 HydrophobicContact CB-CG1 4.43Å; L564-V615 HydrophobicContact CB-CG2 4.21Å; L564-V615 HydrophobicContact CD1-CG2 4.47Å
565	Y	94.3	Very high	94.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-67.2	-44.4	172.7	-165.1	-110.2	0	0	0	111.4	L457 V561 A562 L563 R568 C569 F570 A579 W583 A602 I603	L457-Y565 HydrophobicContact CD1-CD1 4.11Å; L457-Y565 HydrophobicContact CD2-CD1 3.66Å; L457-Y565 HydrophobicContact CD2-CE1 4.14Å; V561-Y565 PolarHBondContact O-N 3.21Å; A562-Y565 PolarHBondContact O-N 3.4Å; L563-Y565 VanDerWaalsContact C-N 3.29Å; L563-Y565 PolarHBondContact O-N 2.91Å; Y565-R568 PolarHBondContact O-N 3.04Å; Y565-C569 HydrophobicContact CD1-CB 4.45Å; Y565-C569 HydrophobicContact CE1-CB 4.23Å; Y565-C569 HydrophobicContact CE2-CB 4.41Å; Y565-C569 WeakPolarHBondContact CE2-SG 3.18Å; Y565-C569 WeakPolarHBondContact O-CB 3.25Å; Y565-C569 PolarHBondContact O-N 2.97Å; Y565-F570 HydrophobicContact CD1-CD2 4.27Å; Y565-F570 AromaticContact CD1-CE2 3.81Å; Y565-F570 HydrophobicContact CD1-CE2 3.81Å; Y565-F570 HydrophobicContact CE1-CD2 4.3Å; Y565-F570 AromaticContact CE1-CE2 3.47Å; Y565-F570 HydrophobicContact CE1-CE2 3.47Å; Y565-F570 VanDerWaalsContact CE1-CE2 3.47Å; Y565-F570 HydrophobicContact CE1-CZ 4.13Å; Y565-A579 PolarHBondContact OH-O 3.49Å; Y565-W583 HydrophobicContact CD1-CD2 4.28Å; Y565-W583 HydrophobicContact CD1-CE3 4.14Å; Y565-W583 HydrophobicContact CD2-CE3 4.46Å; Y565-W583 HydrophobicContact CE1-CB 3.79Å; Y565-W583 AromaticContact CE1-CD2 3.87Å; Y565-W583 HydrophobicContact CE1-CD2 3.87Å; Y565-W583 AromaticContact CE1-CE3 3.81Å; Y565-W583 HydrophobicContact CE1-CE3 3.81Å; Y565-W583 AromaticContact CE1-CG 3.86Å; Y565-W583 HydrophobicContact CE1-CG 3.86Å; Y565-W583 HydrophobicContact CE2-CE3 4.2Å; Y565-W583 HydrophobicContact CG-CE3 4.45Å; Y565-W583 AromaticContact CZ-CE3 3.87Å; Y565-A602 HydrophobicContact CD2-CB 3.83Å; Y565-A602 HydrophobicContact CE2-CB 3.68Å; Y565-I603 HydrophobicContact CD2-CG2 3.73Å
566	W	94.6	Very high	94.2	Very high	14 Å²	14	38.1 Å²	38.1	5%	0.053	17%	0.169	C	C	.	.	H	α-helix	trans	-55.7	-54.7	178	176.7	-97.6	0	0	0	112.7	L457 Q460 W461 D464 A562 L563 R568 C569 F570 E571 P574	L457-W566 HydrophobicContact CD1-CB 4.12Å; L457-W566 HydrophobicContact CD1-CE3 4.28Å; Q460-W566 HydrophobicContact CB-CD2 3.45Å; Q460-W566 VanDerWaalsContact CB-CD2 3.45Å; Q460-W566 HydrophobicContact CB-CE3 3.23Å; Q460-W566 HydrophobicContact CB-CG 4.08Å; Q460-W566 HydrophobicContact CB-CH2 3.96Å; Q460-W566 HydrophobicContact CB-CZ2 4.16Å; Q460-W566 HydrophobicContact CB-CZ3 3.5Å; Q460-W566 VanDerWaalsContact CB-CZ3 3.5Å; Q460-W566 HydrophobicContact CG-CB 4.2Å; Q460-W566 HydrophobicContact CG-CD2 3.96Å; Q460-W566 HydrophobicContact CG-CE3 3.97Å; Q460-W566 HydrophobicContact CG-CG 4.05Å; W461-W566 HydrophobicContact CD2-CH2 4.28Å; W461-W566 AromaticContact CD2-CZ3 3.69Å; W461-W566 HydrophobicContact CD2-CZ3 3.69Å; W461-W566 AromaticContact CE2-CZ3 3.68Å; W461-W566 AromaticContact CE3-CZ3 3.86Å; W461-W566 HydrophobicContact CE3-CZ3 3.86Å; W461-W566 HydrophobicContact CG-CH2 4.4Å; W461-W566 HydrophobicContact CG-CZ3 4.27Å; W461-W566 HydrophobicContact CH2-CE3 4.44Å; W461-W566 HydrophobicContact CH2-CZ3 4.06Å; W461-W566 AromaticContact CZ2-CZ3 3.85Å; W461-W566 HydrophobicContact CZ2-CZ3 3.85Å; W461-W566 HydrophobicContact CZ3-CE3 4.45Å; W461-W566 HydrophobicContact CZ3-CZ3 4.07Å; D464-W566 HydrophobicContact CB-CH2 4.05Å; D464-W566 HydrophobicContact CB-CZ2 3.87Å; A562-W566 WeakPolarHBondContact O-CB 3.42Å; A562-W566 PolarHBondContact O-N 2.74Å; L563-W566 WeakPolarHBondContact O-CB 3.32Å; L563-W566 PolarHBondContact O-N 3.39Å; L563-W566 VanDerWaalsContact O-N 3.1Å; W566-R568 PolarHBondContact O-N 3.45Å; W566-C569 PolarHBondContact O-N 2.94Å; W566-F570 HydrophobicContact CD2-CB 3.95Å; W566-F570 HydrophobicContact CE3-CB 3.49Å; W566-F570 VanDerWaalsContact CE3-CB 3.49Å; W566-F570 HydrophobicContact CE3-CD2 4.1Å; W566-F570 HydrophobicContact CE3-CG 4.16Å; W566-F570 HydrophobicContact CH2-CB 4.25Å; W566-F570 HydrophobicContact CZ3-CB 3.68Å; W566-F570 HydrophobicContact CZ3-CG 4.34Å; W566-F570 PolarHBondContact O-N 3.41Å; W566-E571 PolarHBondContact O-N 2.99Å; W566-P574 HydrophobicContact CH2-CB 4.2Å
567	H	92.9	Very high	94.2	Very high	45 Å²	45	41.5 Å²	41.5	21%	0.208	18%	0.181	C	C	.	.	H	α-helix	trans	-57.8	-38.3	180	-68.9	-54.9	0	0	0	112.5	L563 E571	L563-H567 PolarHBondContact O-CD2 3.45Å; L563-H567 PolarHBondContact O-N 3.14Å; H567-E571 WeakPolarHBondContact CA-OE2 3.4Å; H567-E571 IonicContact CE1-OE2 2.99Å; H567-E571 IonicContact CG-OE2 3.32Å; H567-E571 IonicContact ND1-OE1 2.65Å; H567-E571 IonicContact ND1-OE2 2.73Å; H567-E571 PolarHBondContact ND1-OE2 2.98Å
568	R	92.7	Very high	94.2	Very high	132 Å²	132	45 Å²	45	50%	0.498	21%	0.21	S	C	.	.	H	α-helix	trans	-78.1	-33.5	-178.1	-164.5	172.6	-179.1	117.9	-6.4	113	L564 Y565 W566 I603 D604	L564-R568 WeakPolarHBondContact O-CB 3.44Å; L564-R568 PolarHBondContact O-N 2.93Å; Y565-R568 PolarHBondContact O-N 3.04Å; W566-R568 PolarHBondContact O-N 3.45Å; R568-I603 PolarHBondContact NE-O 3.42Å; R568-I603 VanDerWaalsContact NE-O 3.13Å; R568-I603 PolarHBondContact NH1-O 2.91Å; R568-I603 PolarHBondContact NH2-O 3.49Å; R568-I603 VanDerWaalsContact NH2-O 3.13Å; R568-D604 IonicContact CZ-OD2 3.93Å; R568-D604 IonicContact NE-OD2 3.17Å; R568-D604 PolarHBondContact NE-OD2 3.2Å; R568-D604 IonicContact NH2-OD2 3.78Å; R568-D604 PolarHBondContact NH2-OD2 3.21Å
569	C	93.7	Very high	94.2	Very high	20 Å²	20	45.5 Å²	45.5	14%	0.135	21%	0.214	C	C	.	.	H	α-helix	trans	-115.9	-33	-164.5	-69.3	0	0	0	0	115.3	Y565 W566 N576 A579	Y565-C569 HydrophobicContact CD1-CB 4.45Å; Y565-C569 HydrophobicContact CE1-CB 4.23Å; Y565-C569 HydrophobicContact CE2-CB 4.41Å; Y565-C569 WeakPolarHBondContact CE2-SG 3.18Å; Y565-C569 WeakPolarHBondContact O-CB 3.25Å; Y565-C569 PolarHBondContact O-N 2.97Å; W566-C569 PolarHBondContact O-N 2.94Å; C569-N576 PolarHBondContact O-ND2 3.16Å; C569-N576 VanDerWaalsContact O-ND2 3.12Å; C569-A579 HydrophobicContact CB-CB 3.71Å
570	F	94.4	Very high	94.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-25.9	-168.1	-64.5	-61.4	0	0	0	114.7	L327 L457 W461 Y565 W566 R572 D573 P574 N576 A579	L327-F570 HydrophobicContact CD2-CD1 4.24Å; L327-F570 HydrophobicContact CD2-CE1 3.7Å; L327-F570 HydrophobicContact CD2-CZ 4.44Å; L457-F570 HydrophobicContact CD1-CD2 4.28Å; L457-F570 HydrophobicContact CD1-CE2 4.45Å; L457-F570 HydrophobicContact CD2-CE2 4.27Å; W461-F570 HydrophobicContact CH2-CD1 4.48Å; W461-F570 AromaticContact CH2-CD2 3.9Å; W461-F570 HydrophobicContact CH2-CD2 3.9Å; W461-F570 HydrophobicContact CH2-CE1 4.43Å; W461-F570 AromaticContact CH2-CE2 3.81Å; W461-F570 HydrophobicContact CH2-CE2 3.81Å; W461-F570 HydrophobicContact CH2-CG 4.24Å; W461-F570 HydrophobicContact CH2-CZ 4.1Å; W461-F570 AromaticContact CZ2-CD1 3.99Å; W461-F570 HydrophobicContact CZ2-CD1 3.99Å; W461-F570 HydrophobicContact CZ2-CD2 4.15Å; W461-F570 HydrophobicContact CZ2-CE1 4.13Å; W461-F570 HydrophobicContact CZ2-CE2 4.25Å; W461-F570 HydrophobicContact CZ2-CG 4.01Å; W461-F570 HydrophobicContact CZ2-CZ 4.25Å; Y565-F570 HydrophobicContact CD1-CD2 4.27Å; Y565-F570 AromaticContact CD1-CE2 3.81Å; Y565-F570 HydrophobicContact CD1-CE2 3.81Å; Y565-F570 HydrophobicContact CE1-CD2 4.3Å; Y565-F570 AromaticContact CE1-CE2 3.47Å; Y565-F570 HydrophobicContact CE1-CE2 3.47Å; Y565-F570 VanDerWaalsContact CE1-CE2 3.47Å; Y565-F570 HydrophobicContact CE1-CZ 4.13Å; W566-F570 HydrophobicContact CD2-CB 3.95Å; W566-F570 HydrophobicContact CE3-CB 3.49Å; W566-F570 VanDerWaalsContact CE3-CB 3.49Å; W566-F570 HydrophobicContact CE3-CD2 4.1Å; W566-F570 HydrophobicContact CE3-CG 4.16Å; W566-F570 HydrophobicContact CH2-CB 4.25Å; W566-F570 HydrophobicContact CZ3-CB 3.68Å; W566-F570 HydrophobicContact CZ3-CG 4.34Å; W566-F570 PolarHBondContact O-N 3.41Å; F570-R572 VanDerWaalsContact C-N 3.26Å; F570-R572 PolarHBondContact O-N 2.71Å; F570-R572 VanDerWaalsContact O-N 3.15Å; F570-D573 CarbonylContact O-C 3.51Å; F570-D573 PolarHBondContact O-N 2.92Å; F570-P574 VanDerWaalsContact O-CA 3.25Å; F570-P574 WeakPolarHBondContact O-CA 3.25Å; F570-P574 WeakPolarHBondContact O-CD 3.44Å; F570-N576 HydrophobicContact CD1-CB 4.18Å; F570-N576 HydrophobicContact CE1-CB 4.36Å; F570-A579 HydrophobicContact CD1-CB 4.47Å; F570-A579 HydrophobicContact CE1-CB 3.84Å; F570-A579 HydrophobicContact CZ-CB 3.98Å
571	E	90.9	Very high	94.3	Very high	99 Å²	99	46 Å²	46	46%	0.463	22%	0.22	S	C	.	.	S	Bend	trans	-55.1	-40.5	-175.7	-179.3	179	-167.2	0	0	113.2	W566 H567	W566-E571 PolarHBondContact O-N 2.99Å; H567-E571 WeakPolarHBondContact CA-OE2 3.4Å; H567-E571 IonicContact CE1-OE2 2.99Å; H567-E571 IonicContact CG-OE2 3.32Å; H567-E571 IonicContact ND1-OE1 2.65Å; H567-E571 IonicContact ND1-OE2 2.73Å; H567-E571 PolarHBondContact ND1-OE2 2.98Å
572	R	91.9	Very high	94.4	Very high	240 Å²	240	49.5 Å²	49.5	91%	0.906	24%	0.235	S	C	*	.	S	Bend	trans	-77.6	-32	176.5	-64.6	-177.9	-178	177	1.6	113.1	F570	F570-R572 VanDerWaalsContact C-N 3.26Å; F570-R572 PolarHBondContact O-N 2.71Å; F570-R572 VanDerWaalsContact O-N 3.15Å
573	D	94	Very high	94.4	Very high	66 Å²	66	49.6 Å²	49.6	35%	0.353	24%	0.235	S	C	.	.			trans	-144	88.1	-176.9	-175.3	22.1	0	0	0	110.4	F570 T575 N576	F570-D573 CarbonylContact O-C 3.51Å; F570-D573 PolarHBondContact O-N 2.92Å; D573-T575 PolarHBondContact O-N 3.27Å; D573-N576 HydrophobicContact CB-CB 4.19Å; D573-N576 VanDerWaalsContact O-CB 3.25Å; D573-N576 WeakPolarHBondContact O-CB 3.27Å; D573-N576 PolarHBondContact O-N 3.21Å
574	P	92.9	Very high	94.4	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.026	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-7.2	-173.6	-26.9	35.8	0	0	0	114.7	L327 W461 V467 W566 F570	L327-P574 WeakPolarHBondContact CD2-O 3.25Å; W461-P574 PolarHBondContact NE1-O 2.86Å; V467-P574 HydrophobicContact CG2-CB 3.43Å; V467-P574 VanDerWaalsContact CG2-CB 3.43Å; V467-P574 HydrophobicContact CG2-CG 4.07Å; W566-P574 HydrophobicContact CH2-CB 4.2Å; F570-P574 VanDerWaalsContact O-CA 3.25Å; F570-P574 WeakPolarHBondContact O-CA 3.25Å; F570-P574 WeakPolarHBondContact O-CD 3.44Å
575	T	92.6	Very high	94.5	Very high	41 Å²	41	53.5 Å²	53.5	25%	0.252	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	22.6	178.1	59	0	0	0	0	111.9	L323 E326 D573 R577	L323-T575 HydrophobicContact CD1-CG2 4.09Å; E326-T575 WeakPolarHBondContact OE2-CB 3.43Å; E326-T575 WeakPolarHBondContact OE2-CG2 3.4Å; D573-T575 PolarHBondContact O-N 3.27Å; T575-R577 PolarHBondContact O-N 2.91Å
576	N	95.6	Very high	94.5	Very high	47 Å²	47	53.8 Å²	53.8	25%	0.251	26%	0.259	S	S	.	.			trans	-59.6	95.3	177.9	-177.5	-14.9	0	0	0	112.1	C569 F570 D573 A578 A579 G580	C569-N576 PolarHBondContact O-ND2 3.16Å; C569-N576 VanDerWaalsContact O-ND2 3.12Å; F570-N576 HydrophobicContact CD1-CB 4.18Å; F570-N576 HydrophobicContact CE1-CB 4.36Å; D573-N576 HydrophobicContact CB-CB 4.19Å; D573-N576 VanDerWaalsContact O-CB 3.25Å; D573-N576 WeakPolarHBondContact O-CB 3.27Å; D573-N576 PolarHBondContact O-N 3.21Å; N576-A578 VanDerWaalsContact C-N 3.3Å; N576-A578 PolarHBondContact O-N 3.08Å; N576-A578 PolarHBondContact OD1-N 3.3Å; N576-A578 VanDerWaalsContact OD1-N 3.16Å; N576-A579 HydrophobicContact CB-CB 4.2Å; N576-A579 PolarHBondContact O-N 3.1Å; N576-A579 PolarHBondContact OD1-N 3.31Å; N576-A579 VanDerWaalsContact OD1-N 3.16Å; N576-G580 PolarHBondContact O-N 3.4Å
577	R	96.4	Very high	94.5	Very high	79 Å²	79	53.2 Å²	53.2	30%	0.298	26%	0.257	S	S	.	.	H	α-helix	trans	-55	-40.7	179.8	-176.4	74.5	-172.9	-117.5	-15.8	113	K325 E326 E355 T575 G580 M581	K325-R577 PolarHBondContact O-NH1 3.12Å; E326-R577 WeakPolarHBondContact O-CB 3.19Å; E326-R577 WeakPolarHBondContact O-CD 3.44Å; E355-R577 IonicContact OE1-CZ 2.94Å; E355-R577 IonicContact OE1-NH1 2.65Å; E355-R577 PolarHBondContact OE1-NH1 3.31Å; E355-R577 IonicContact OE1-NH2 2.88Å; E355-R577 PolarHBondContact OE1-NH2 2.99Å; E355-R577 IonicContact OE2-CZ 2.77Å; E355-R577 IonicContact OE2-NH1 3.96Å; E355-R577 IonicContact OE2-NH2 3.93Å; E355-R577 PolarHBondContact OE2-NH2 3.47Å; T575-R577 PolarHBondContact O-N 2.91Å; R577-G580 PolarHBondContact O-N 3.17Å; R577-M581 HydrophobicContact CG-CG 4.3Å; R577-M581 WeakPolarHBondContact O-CB 3.36Å; R577-M581 VanDerWaalsContact O-CG 3.28Å; R577-M581 WeakPolarHBondContact O-CG 3.27Å; R577-M581 PolarHBondContact O-N 2.96Å
578	A	96.4	Very high	94.6	Very high	76 Å²	76	52.4 Å²	52.4	63%	0.628	26%	0.256	S	S	*	.	H	α-helix	trans	-65.6	-43.3	-176.9	0	0	0	0	0	111.1	N576 K582	N576-A578 VanDerWaalsContact C-N 3.3Å; N576-A578 PolarHBondContact O-N 3.08Å; N576-A578 PolarHBondContact OD1-N 3.3Å; N576-A578 VanDerWaalsContact OD1-N 3.16Å; A578-K582 WeakPolarHBondContact O-CB 3.45Å; A578-K582 PolarHBondContact O-N 3.13Å
579	A	95.6	Very high	94.7	Very high	9 Å²	9	49.8 Å²	49.8	7%	0.074	25%	0.247	C	C	.	.	H	α-helix	trans	-68.1	-38.7	174.3	0	0	0	0	0	112.7	Y565 C569 F570 N576 K582 W583	Y565-A579 PolarHBondContact OH-O 3.49Å; C569-A579 HydrophobicContact CB-CB 3.71Å; F570-A579 HydrophobicContact CD1-CB 4.47Å; F570-A579 HydrophobicContact CE1-CB 3.84Å; F570-A579 HydrophobicContact CZ-CB 3.98Å; N576-A579 HydrophobicContact CB-CB 4.2Å; N576-A579 PolarHBondContact O-N 3.1Å; N576-A579 PolarHBondContact OD1-N 3.31Å; N576-A579 VanDerWaalsContact OD1-N 3.16Å; A579-K582 PolarHBondContact O-N 3.22Å; A579-W583 WeakPolarHBondContact O-CB 3.32Å; A579-W583 PolarHBondContact O-N 3.32Å
580	G	96.5	Very high	94.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-47.4	174.1	0	0	0	0	0	112.3	L327 Y328 N576 R577 K582 W583 R584	L327-G580 CarbonylContact O-C 3.56Å; L327-G580 WeakPolarHBondContact O-CA 3.11Å; Y328-G580 VanDerWaalsContact CD1-O 3.26Å; Y328-G580 WeakPolarHBondContact CD1-O 3.44Å; Y328-G580 WeakPolarHBondContact CE1-O 3.4Å; N576-G580 PolarHBondContact O-N 3.4Å; R577-G580 PolarHBondContact O-N 3.17Å; G580-K582 PolarHBondContact O-N 2.95Å; G580-W583 PolarHBondContact O-N 3.31Å; G580-R584 WeakPolarHBondContact O-CB 3.33Å; G580-R584 PolarHBondContact O-N 3.03Å
581	M	96.5	Very high	94.7	Very high	72 Å²	72	49.4 Å²	49.4	36%	0.355	25%	0.247	S	C	.	.	H	α-helix	trans	-65.1	-37.2	176.3	-68.4	-57.9	-59.4	0	0	112.7	R577 R584 C585	R577-M581 HydrophobicContact CG-CG 4.3Å; R577-M581 WeakPolarHBondContact O-CB 3.36Å; R577-M581 VanDerWaalsContact O-CG 3.28Å; R577-M581 WeakPolarHBondContact O-CG 3.27Å; R577-M581 PolarHBondContact O-N 2.96Å; M581-R584 PolarHBondContact O-N 3.28Å; M581-C585 WeakPolarHBondContact O-CB 3.36Å; M581-C585 PolarHBondContact O-N 2.98Å
582	K	95.7	Very high	94.7	Very high	74 Å²	74	45.6 Å²	45.6	32%	0.322	23%	0.229	S	C	.	.	H	α-helix	trans	-59.8	-47.7	171.8	-172.6	-176.8	-175.2	-172.9	0	110.6	A578 A579 G580 C585 L586 E601 A602 D604	A578-K582 WeakPolarHBondContact O-CB 3.45Å; A578-K582 PolarHBondContact O-N 3.13Å; A579-K582 PolarHBondContact O-N 3.22Å; G580-K582 PolarHBondContact O-N 2.95Å; K582-C585 WeakPolarHBondContact O-CB 3.41Å; K582-C585 PolarHBondContact O-N 2.96Å; K582-L586 WeakPolarHBondContact O-CG 3.32Å; K582-L586 PolarHBondContact O-N 3.39Å; K582-E601 WeakPolarHBondContact CE-O 3.21Å; K582-E601 PolarHBondContact NZ-O 3.39Å; K582-A602 PolarHBondContact NZ-O 3.3Å; K582-D604 IonicContact NZ-OD1 3.08Å
583	W	95.4	Very high	94.7	Very high	2 Å²	2	37 Å²	37	1%	0.008	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-42.4	178.2	-170.3	-124	0	0	0	112.8	F450 V453 P454 L457 Y565 A579 G580 C585 L586 Q587 A602	F450-W583 HydrophobicContact CE2-CH2 4.34Å; V453-W583 HydrophobicContact CB-CH2 4.41Å; V453-W583 HydrophobicContact CB-CZ2 4.49Å; V453-W583 HydrophobicContact CG1-CH2 3.56Å; V453-W583 HydrophobicContact CG1-CZ2 3.75Å; P454-W583 HydrophobicContact CG-CZ2 4.02Å; L457-W583 HydrophobicContact CD2-CD2 4.04Å; L457-W583 HydrophobicContact CD2-CG 4.11Å; L457-W583 HydrophobicContact CD2-CZ2 4.15Å; L457-W583 VanDerWaalsContact CD2-NE1 3.3Å; Y565-W583 HydrophobicContact CD1-CD2 4.28Å; Y565-W583 HydrophobicContact CD1-CE3 4.14Å; Y565-W583 HydrophobicContact CD2-CE3 4.46Å; Y565-W583 HydrophobicContact CE1-CB 3.79Å; Y565-W583 AromaticContact CE1-CD2 3.87Å; Y565-W583 HydrophobicContact CE1-CD2 3.87Å; Y565-W583 AromaticContact CE1-CE3 3.81Å; Y565-W583 HydrophobicContact CE1-CE3 3.81Å; Y565-W583 AromaticContact CE1-CG 3.86Å; Y565-W583 HydrophobicContact CE1-CG 3.86Å; Y565-W583 HydrophobicContact CE2-CE3 4.2Å; Y565-W583 HydrophobicContact CG-CE3 4.45Å; Y565-W583 AromaticContact CZ-CE3 3.87Å; A579-W583 WeakPolarHBondContact O-CB 3.32Å; A579-W583 PolarHBondContact O-N 3.32Å; G580-W583 PolarHBondContact O-N 3.31Å; W583-C585 VanDerWaalsContact C-N 3.32Å; W583-C585 PolarHBondContact O-N 2.75Å; W583-L586 HydrophobicContact CE3-CD1 4.05Å; W583-L586 HydrophobicContact CZ3-CD1 4.33Å; W583-L586 PolarHBondContact O-N 3.23Å; W583-Q587 HydrophobicContact CZ2-CG 4.49Å; W583-Q587 WeakPolarHBondContact O-CG 3.17Å; W583-Q587 PolarHBondContact O-N 3.46Å; W583-A602 HydrophobicContact CZ3-CB 4.36Å
584	R	96	Very high	94.4	Very high	39 Å²	39	36.3 Å²	36.3	15%	0.147	19%	0.193	C	C	.	.	H	α-helix	trans	-58.7	-42.4	173.1	174.8	175.7	175	-168.6	-3.8	111.6	Y328 D354 F433 G580 M581 Q587 S588	Y328-R584 HydrophobicContact CD1-CB 4.05Å; Y328-R584 PolarHBondContact O-NH1 3.5Å; D354-R584 IonicContact OD2-NH2 3.27Å; F433-R584 HydrophobicContact CB-CG 4.44Å; F433-R584 HydrophobicContact CD1-CG 3.88Å; F433-R584 HydrophobicContact CD2-CB 4.13Å; F433-R584 HydrophobicContact CD2-CG 3.87Å; F433-R584 HydrophobicContact CE1-CG 4Å; F433-R584 HydrophobicContact CE2-CB 4.05Å; F433-R584 HydrophobicContact CE2-CG 3.99Å; F433-R584 HydrophobicContact CG-CG 3.82Å; F433-R584 HydrophobicContact CZ-CB 4.41Å; F433-R584 HydrophobicContact CZ-CG 4.05Å; G580-R584 WeakPolarHBondContact O-CB 3.33Å; G580-R584 PolarHBondContact O-N 3.03Å; M581-R584 PolarHBondContact O-N 3.28Å; R584-Q587 PolarHBondContact O-N 3Å; R584-S588 PolarHBondContact O-N 2.99Å; R584-S588 VanDerWaalsContact O-N 3.12Å
585	C	95.3	Very high	94.1	Very high	65 Å²	65	36.7 Å²	36.7	44%	0.439	20%	0.195	S	C	.	.	H	α-helix	trans	-62	-45.2	175.9	-174.6	0	0	0	0	111.6	M581 K582 W583 Q587 S588 Y589	M581-C585 WeakPolarHBondContact O-CB 3.36Å; M581-C585 PolarHBondContact O-N 2.98Å; K582-C585 WeakPolarHBondContact O-CB 3.41Å; K582-C585 PolarHBondContact O-N 2.96Å; W583-C585 VanDerWaalsContact C-N 3.32Å; W583-C585 PolarHBondContact O-N 2.75Å; C585-Q587 PolarHBondContact O-N 2.92Å; C585-S588 VanDerWaalsContact O-CB 3.31Å; C585-S588 WeakPolarHBondContact O-CB 3.23Å; C585-S588 PolarHBondContact O-N 2.78Å; C585-S588 VanDerWaalsContact O-N 3.09Å; C585-S588 PolarHBondContact O-OG 3.26Å; C585-Y589 WeakPolarHBondContact O-CD2 3.46Å
586	L	94.4	Very high	93.9	Very high	5 Å²	5	35 Å²	35	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-63.7	-42.6	178.2	-67	171.8	0	0	0	112.7	K582 W583 S588 Y589 L598 E601 A602	K582-L586 WeakPolarHBondContact O-CG 3.32Å; K582-L586 PolarHBondContact O-N 3.39Å; W583-L586 HydrophobicContact CE3-CD1 4.05Å; W583-L586 HydrophobicContact CZ3-CD1 4.33Å; W583-L586 PolarHBondContact O-N 3.23Å; L586-S588 PolarHBondContact O-N 3.39Å; L586-Y589 PolarHBondContact O-N 3.36Å; L586-L598 HydrophobicContact CD2-CB 4.41Å; L586-L598 HydrophobicContact CD2-CD2 3.87Å; L586-E601 HydrophobicContact CD2-CB 3.99Å; L586-A602 HydrophobicContact CD1-CB 3.39Å
587	Q	94.9	Very high	93.6	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	19%	0.193	C	C	.	.	H	α-helix	trans	-62.5	-25.3	173.6	-74.1	-179	73.4	0	0	112.9	F433 P454 W583 R584 C585 Y589 G590	F433-Q587 HydrophobicContact CB-CB 4.1Å; F433-Q587 HydrophobicContact CD2-CB 4.19Å; P454-Q587 HydrophobicContact CG-CG 4.29Å; W583-Q587 HydrophobicContact CZ2-CG 4.49Å; W583-Q587 WeakPolarHBondContact O-CG 3.17Å; W583-Q587 PolarHBondContact O-N 3.46Å; R584-Q587 PolarHBondContact O-N 3Å; C585-Q587 PolarHBondContact O-N 2.92Å; Q587-Y589 PolarHBondContact O-N 2.92Å; Q587-G590 PolarHBondContact O-N 3.27Å; Q587-G590 VanDerWaalsContact O-N 3.07Å
588	S	95.4	Very high	93.4	Very high	28 Å²	28	32.7 Å²	32.7	20%	0.196	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.1	-178.2	79.4	0	0	0	0	113.8	F433 R435 R584 C585 L586	F433-S588 VanDerWaalsContact O-CA 3.31Å; F433-S588 WeakPolarHBondContact O-CA 3.42Å; F433-S588 WeakPolarHBondContact O-CB 3.27Å; R435-S588 PolarHBondContact N-O 3.06Å; R584-S588 PolarHBondContact O-N 2.99Å; R584-S588 VanDerWaalsContact O-N 3.12Å; C585-S588 VanDerWaalsContact O-CB 3.31Å; C585-S588 WeakPolarHBondContact O-CB 3.23Å; C585-S588 PolarHBondContact O-N 2.78Å; C585-S588 VanDerWaalsContact O-N 3.09Å; C585-S588 PolarHBondContact O-OG 3.26Å; L586-S588 PolarHBondContact O-N 3.39Å
589	Y	95	Very high	92.9	Very high	77 Å²	77	29.2 Å²	29.2	30%	0.302	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-18.5	175.6	-64.8	-73.7	0	0	0	113.3	T436 C585 L586 Q587 G591 E592 R593 L598	T436-Y589 VanDerWaalsContact CG2-O 3.26Å; T436-Y589 WeakPolarHBondContact CG2-O 3.42Å; C585-Y589 WeakPolarHBondContact O-CD2 3.46Å; L586-Y589 PolarHBondContact O-N 3.36Å; Q587-Y589 PolarHBondContact O-N 2.92Å; Y589-G591 PolarHBondContact O-N 3.23Å; Y589-G591 VanDerWaalsContact O-N 3.1Å; Y589-E592 VanDerWaalsContact O-CB 3.24Å; Y589-E592 WeakPolarHBondContact O-CB 3.26Å; Y589-E592 PolarHBondContact O-N 3.06Å; Y589-R593 HydrophobicContact CD1-CG 3.78Å; Y589-R593 HydrophobicContact CE1-CG 4.4Å; Y589-R593 VanDerWaalsContact CG-CD 3.49Å; Y589-R593 HydrophobicContact CG-CG 3.93Å; Y589-L598 HydrophobicContact CD2-CD2 3.68Å; Y589-L598 HydrophobicContact CE2-CD2 4.4Å; Y589-L598 HydrophobicContact CG-CD2 4.21Å
590	G	93.7	Very high	92.7	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.01	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	-119.8	-171.8	0	0	0	0	0	111.4	Q587	Q587-G590 PolarHBondContact O-N 3.27Å; Q587-G590 VanDerWaalsContact O-N 3.07Å
591	G	93.1	Very high	92.5	Very high	11 Å²	11	33.8 Å²	33.8	11%	0.113	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	7.7	173.8	0	0	0	0	0	116.2	V441 Y589 R593	V441-G591 PolarHBondContact O-N 3.12Å; Y589-G591 PolarHBondContact O-N 3.23Å; Y589-G591 VanDerWaalsContact O-N 3.1Å; G591-R593 PolarHBondContact O-N 2.99Å
592	E	92.3	Very high	92	Very high	20 Å²	20	30.4 Å²	30.4	9%	0.093	16%	0.157	C	C	.	.	S	Bend	trans	-73.6	-7	179.2	-71.7	-172.9	156.6	0	0	113.9	I132 L135 T436 R437 V441 Y589	I132-E592 HydrophobicContact CG2-CG 4.35Å; L135-E592 WeakPolarHBondContact CD2-O 3.29Å; T436-E592 WeakPolarHBondContact CA-OE1 3.34Å; T436-E592 VanDerWaalsContact CB-CD 3.48Å; T436-E592 WeakPolarHBondContact CB-OE1 3.15Å; T436-E592 HydrophobicContact CG2-CG 3.78Å; R437-E592 WeakPolarHBondContact CB-OE1 3.06Å; R437-E592 PolarHBondContact N-OE1 2.77Å; V441-E592 HydrophobicContact CB-CG 4.11Å; V441-E592 HydrophobicContact CG2-CG 3.38Å; Y589-E592 VanDerWaalsContact O-CB 3.24Å; Y589-E592 WeakPolarHBondContact O-CB 3.26Å; Y589-E592 PolarHBondContact O-N 3.06Å
593	R	90.8	Very high	91.7	Very high	60 Å²	60	26.9 Å²	26.9	23%	0.226	14%	0.142	C	C	.	.	S	Bend	trans	-137.5	154.6	179.1	-67.2	-170.3	62.8	-155.3	-5.6	110.7	Y589 G591 P595 L598 E601	Y589-R593 HydrophobicContact CD1-CG 3.78Å; Y589-R593 HydrophobicContact CE1-CG 4.4Å; Y589-R593 VanDerWaalsContact CG-CD 3.49Å; Y589-R593 HydrophobicContact CG-CG 3.93Å; G591-R593 PolarHBondContact O-N 2.99Å; R593-P595 WeakPolarHBondContact O-CD 3.48Å; R593-L598 HydrophobicContact CB-CD1 4.18Å; R593-L598 HydrophobicContact CB-CD2 3.89Å; R593-L598 HydrophobicContact CB-CG 3.94Å; R593-E601 IonicContact CZ-OE1 3.22Å; R593-E601 VanDerWaalsContact CZ-OE1 3.3Å; R593-E601 IonicContact CZ-OE2 2.69Å; R593-E601 VanDerWaalsContact NH1-CD 3.29Å; R593-E601 IonicContact NH1-OE1 2.67Å; R593-E601 PolarHBondContact NH1-OE1 3.32Å; R593-E601 VanDerWaalsContact NH1-OE1 3.14Å; R593-E601 IonicContact NH1-OE2 2.74Å; R593-E601 PolarHBondContact NH1-OE2 2.88Å; R593-E601 IonicContact NH2-OE1 3.02Å; R593-E601 PolarHBondContact NH2-OE1 3.17Å; R593-E601 IonicContact NH2-OE2 2.81Å
594	N	87.3	Confident	91.3	Very high	51 Å²	51	31.9 Å²	31.9	27%	0.273	17%	0.169	S	C	.	.			trans	-65	128.4	177.5	-169.1	-71.6	0	0	0	110	A596 D597 L598	N594-A596 PolarHBondContact O-N 2.89Å; N594-A596 VanDerWaalsContact OD1-CB 3.28Å; N594-A596 WeakPolarHBondContact OD1-CB 3.4Å; N594-A596 PolarHBondContact OD1-N 2.72Å; N594-D597 HydrophobicContact CB-CB 4.32Å; N594-D597 WeakPolarHBondContact CB-OD2 3.38Å; N594-D597 PolarHBondContact O-N 3.42Å; N594-L598 PolarHBondContact O-N 3.16Å
595	P	88.2	Confident	91.1	Very high	11 Å²	11	33.9 Å²	33.9	7%	0.071	18%	0.177	C	C	.	.	H	α-helix	trans	-54.8	-35.1	178.7	-30.7	37.1	0	0	0	114.6	L243 S447 F450 R593 D597 L598 L599	L243-P595 HydrophobicContact CD2-CB 3.64Å; L243-P595 HydrophobicContact CG-CB 4.13Å; S447-P595 WeakPolarHBondContact OG-CG 3.49Å; F450-P595 HydrophobicContact CB-CB 3.8Å; F450-P595 HydrophobicContact CB-CG 4Å; F450-P595 HydrophobicContact CD2-CB 3.94Å; F450-P595 HydrophobicContact CG-CB 3.84Å; F450-P595 HydrophobicContact CG-CG 4.22Å; R593-P595 WeakPolarHBondContact O-CD 3.48Å; P595-D597 VanDerWaalsContact C-N 3.33Å; P595-L598 PolarHBondContact O-N 3.23Å; P595-L599 VanDerWaalsContact O-CB 3.3Å; P595-L599 WeakPolarHBondContact O-CB 3.49Å; P595-L599 PolarHBondContact O-N 3.27Å
596	A	87.4	Confident	90.7	Very high	5 Å²	5	35.4 Å²	35.4	4%	0.041	18%	0.18	C	C	.	.	H	α-helix	trans	-68.6	-33.5	178.5	0	0	0	0	0	112.1	L243 N594 G600	L243-A596 HydrophobicContact CD2-CB 4.24Å; N594-A596 PolarHBondContact O-N 2.89Å; N594-A596 VanDerWaalsContact OD1-CB 3.28Å; N594-A596 WeakPolarHBondContact OD1-CB 3.4Å; N594-A596 PolarHBondContact OD1-N 2.72Å; A596-G600 PolarHBondContact O-N 3.19Å
597	D	89.7	Confident	90.6	Very high	78 Å²	78	36 Å²	36	42%	0.417	18%	0.184	S	C	.	.	H	α-helix	trans	-73.6	-42.2	176.1	-61.5	-24.7	0	0	0	110.6	N594 P595 L599 G600 E601	N594-D597 HydrophobicContact CB-CB 4.32Å; N594-D597 WeakPolarHBondContact CB-OD2 3.38Å; N594-D597 PolarHBondContact O-N 3.42Å; P595-D597 VanDerWaalsContact C-N 3.33Å; D597-L599 VanDerWaalsContact C-N 3.29Å; D597-L599 PolarHBondContact O-N 3.5Å; D597-G600 PolarHBondContact O-N 3.19Å; D597-E601 PolarHBondContact O-N 3.24Å
598	L	91.4	Very high	90.6	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-58.9	-43.4	173.2	-67.9	176.4	0	0	0	111.1	F450 L586 Y589 R593 N594 P595 E601 A602	F450-L598 HydrophobicContact CE1-CD1 3.96Å; F450-L598 HydrophobicContact CE2-CB 4.49Å; F450-L598 HydrophobicContact CZ-CB 4.34Å; F450-L598 HydrophobicContact CZ-CD1 3.85Å; L586-L598 HydrophobicContact CD2-CB 4.41Å; L586-L598 HydrophobicContact CD2-CD2 3.87Å; Y589-L598 HydrophobicContact CD2-CD2 3.68Å; Y589-L598 HydrophobicContact CE2-CD2 4.4Å; Y589-L598 HydrophobicContact CG-CD2 4.21Å; R593-L598 HydrophobicContact CB-CD1 4.18Å; R593-L598 HydrophobicContact CB-CD2 3.89Å; R593-L598 HydrophobicContact CB-CG 3.94Å; N594-L598 PolarHBondContact O-N 3.16Å; P595-L598 PolarHBondContact O-N 3.23Å; L598-E601 PolarHBondContact O-N 2.86Å; L598-A602 WeakPolarHBondContact O-CB 3.26Å; L598-A602 PolarHBondContact O-N 3.45Å
599	L	87.4	Confident	90.6	Very high	3 Å²	3	39 Å²	39	2%	0.016	20%	0.201	C	C	.	.	H	α-helix	trans	-66.6	-45.4	176.3	-174.8	57	0	0	0	111.2	L243 V561 P595 D597 E601 A602 I603 P607	L243-L599 HydrophobicContact CD2-CD2 4.38Å; V561-L599 HydrophobicContact CB-CD2 4.46Å; V561-L599 HydrophobicContact CG1-CD1 3.47Å; V561-L599 VanDerWaalsContact CG1-CD1 3.47Å; V561-L599 HydrophobicContact CG1-CD2 3.77Å; V561-L599 HydrophobicContact CG1-CG 4.25Å; V561-L599 HydrophobicContact CG2-CD2 3.8Å; P595-L599 VanDerWaalsContact O-CB 3.3Å; P595-L599 WeakPolarHBondContact O-CB 3.49Å; P595-L599 PolarHBondContact O-N 3.27Å; D597-L599 VanDerWaalsContact C-N 3.29Å; D597-L599 PolarHBondContact O-N 3.5Å; L599-E601 PolarHBondContact O-N 2.83Å; L599-A602 HydrophobicContact CD1-CB 4.37Å; L599-A602 WeakPolarHBondContact O-CA 3.31Å; L599-A602 VanDerWaalsContact O-CB 3.27Å; L599-A602 WeakPolarHBondContact O-CB 3.33Å; L599-A602 PolarHBondContact O-N 2.88Å; L599-I603 HydrophobicContact CD1-CD1 4.09Å; L599-I603 HydrophobicContact CD1-CG1 4.28Å; L599-I603 HydrophobicContact CD1-CG2 4.39Å; L599-I603 HydrophobicContact CG-CD1 4.14Å; L599-I603 HydrophobicContact CG-CG1 4.39Å; L599-I603 WeakPolarHBondContact O-CG1 3.41Å; L599-I603 PolarHBondContact O-N 2.91Å; L599-P607 HydrophobicContact CD2-CG 3.57Å; L599-P607 HydrophobicContact CG-CG 4.39Å
600	G	90.4	Very high	90.6	Very high	16 Å²	16	41.9 Å²	41.9	17%	0.165	22%	0.216	C	C	.	.	H	α-helix	trans	-54.4	-39	174.3	0	0	0	0	0	112.8	A596 D597 D604 Y605	A596-G600 PolarHBondContact O-N 3.19Å; D597-G600 PolarHBondContact O-N 3.19Å; G600-D604 CarbonylContact O-C 3.49Å; G600-D604 WeakPolarHBondContact O-CA 3.19Å; G600-D604 PolarHBondContact O-N 2.72Å; G600-Y605 WeakPolarHBondContact CA-O 2.98Å; G600-Y605 PolarHBondContact O-N 3.42Å
601	E	91.4	Very high	90.6	Very high	89 Å²	89	44.2 Å²	44.2	42%	0.416	23%	0.228	S	C	.	.	H	α-helix	trans	-71.1	-36.6	172	-76	178.1	-163.3	0	0	112.8	K582 L586 R593 D597 L598 L599	K582-E601 WeakPolarHBondContact CE-O 3.21Å; K582-E601 PolarHBondContact NZ-O 3.39Å; L586-E601 HydrophobicContact CD2-CB 3.99Å; R593-E601 IonicContact CZ-OE1 3.22Å; R593-E601 VanDerWaalsContact CZ-OE1 3.3Å; R593-E601 IonicContact CZ-OE2 2.69Å; R593-E601 VanDerWaalsContact NH1-CD 3.29Å; R593-E601 IonicContact NH1-OE1 2.67Å; R593-E601 PolarHBondContact NH1-OE1 3.32Å; R593-E601 VanDerWaalsContact NH1-OE1 3.14Å; R593-E601 IonicContact NH1-OE2 2.74Å; R593-E601 PolarHBondContact NH1-OE2 2.88Å; R593-E601 IonicContact NH2-OE1 3.02Å; R593-E601 PolarHBondContact NH2-OE1 3.17Å; R593-E601 IonicContact NH2-OE2 2.81Å; D597-E601 PolarHBondContact O-N 3.24Å; L598-E601 PolarHBondContact O-N 2.86Å; L599-E601 PolarHBondContact O-N 2.83Å
602	A	87.7	Confident	90.8	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-62.4	-49.6	179.8	0	0	0	0	0	112	Y565 K582 W583 L586 L598 L599	Y565-A602 HydrophobicContact CD2-CB 3.83Å; Y565-A602 HydrophobicContact CE2-CB 3.68Å; K582-A602 PolarHBondContact NZ-O 3.3Å; W583-A602 HydrophobicContact CZ3-CB 4.36Å; L586-A602 HydrophobicContact CD1-CB 3.39Å; L598-A602 WeakPolarHBondContact O-CB 3.26Å; L598-A602 PolarHBondContact O-N 3.45Å; L599-A602 HydrophobicContact CD1-CB 4.37Å; L599-A602 WeakPolarHBondContact O-CA 3.31Å; L599-A602 VanDerWaalsContact O-CB 3.27Å; L599-A602 WeakPolarHBondContact O-CB 3.33Å; L599-A602 PolarHBondContact O-N 2.88Å
603	I	88	Confident	91	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-114.3	7.5	-171.2	65.5	174.1	0	0	0	114.3	L564 Y565 R568 L599 Y605 P607	L564-I603 HydrophobicContact CD2-CD1 3.24Å; L564-I603 HydrophobicContact CG-CD1 3.79Å; Y565-I603 HydrophobicContact CD2-CG2 3.73Å; R568-I603 PolarHBondContact NE-O 3.42Å; R568-I603 VanDerWaalsContact NE-O 3.13Å; R568-I603 PolarHBondContact NH1-O 2.91Å; R568-I603 PolarHBondContact NH2-O 3.49Å; R568-I603 VanDerWaalsContact NH2-O 3.13Å; L599-I603 HydrophobicContact CD1-CD1 4.09Å; L599-I603 HydrophobicContact CD1-CG1 4.28Å; L599-I603 HydrophobicContact CD1-CG2 4.39Å; L599-I603 HydrophobicContact CG-CD1 4.14Å; L599-I603 HydrophobicContact CG-CG1 4.39Å; L599-I603 WeakPolarHBondContact O-CG1 3.41Å; L599-I603 PolarHBondContact O-N 2.91Å; I603-Y605 HydrophobicContact CB-CE1 4.45Å; I603-Y605 HydrophobicContact CD1-CD1 4.03Å; I603-Y605 HydrophobicContact CD1-CE1 3.66Å; I603-Y605 HydrophobicContact CG1-CD1 4.01Å; I603-Y605 HydrophobicContact CG1-CE1 4.06Å; I603-Y605 VanDerWaalsContact CG1-O 3.26Å; I603-Y605 WeakPolarHBondContact CG1-O 3.49Å; I603-Y605 WeakPolarHBondContact O-CD1 3.45Å; I603-Y605 PolarHBondContact O-N 2.81Å; I603-P607 HydrophobicContact CD1-CG 4.29Å
604	D	87.6	Confident	91.2	Very high	107 Å²	107	45.2 Å²	45.2	57%	0.572	23%	0.233	S	C	*	.	S	Bend	trans	66.7	11.1	178	-38.9	-55.6	0	0	0	115.9	R568 K582 G600	R568-D604 IonicContact CZ-OD2 3.93Å; R568-D604 IonicContact NE-OD2 3.17Å; R568-D604 PolarHBondContact NE-OD2 3.2Å; R568-D604 IonicContact NH2-OD2 3.78Å; R568-D604 PolarHBondContact NH2-OD2 3.21Å; K582-D604 IonicContact NZ-OD1 3.08Å; G600-D604 CarbonylContact O-C 3.49Å; G600-D604 WeakPolarHBondContact O-CA 3.19Å; G600-D604 PolarHBondContact O-N 2.72Å
605	Y	90.8	Very high	91.5	Very high	81 Å²	81	43 Å²	43	32%	0.318	22%	0.221	S	C	.	.	S	Bend	trans	-158.2	161.4	170.2	77.7	-76.7	0	0	0	111.7	L564 G600 I603 P607	L564-Y605 WeakPolarHBondContact CD1-OH 3.36Å; G600-Y605 WeakPolarHBondContact CA-O 2.98Å; G600-Y605 PolarHBondContact O-N 3.42Å; I603-Y605 HydrophobicContact CB-CE1 4.45Å; I603-Y605 HydrophobicContact CD1-CD1 4.03Å; I603-Y605 HydrophobicContact CD1-CE1 3.66Å; I603-Y605 HydrophobicContact CG1-CD1 4.01Å; I603-Y605 HydrophobicContact CG1-CE1 4.06Å; I603-Y605 VanDerWaalsContact CG1-O 3.26Å; I603-Y605 WeakPolarHBondContact CG1-O 3.49Å; I603-Y605 WeakPolarHBondContact O-CD1 3.45Å; I603-Y605 PolarHBondContact O-N 2.81Å; Y605-P607 HydrophobicContact CE2-CB 3.96Å
606	I	88.8	Confident	91.7	Very high	96 Å²	96	42.5 Å²	42.5	49%	0.492	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-92.3	117.6	174.6	-58.3	175.3	0	0	0	108.3
607	P	91.5	Very high	91.9	Very high	17 Å²	17	44.2 Å²	44.2	11%	0.11	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-73.2	140.1	-176.6	29.6	-31.7	0	0	0	111.6	L564 L599 I603 Y605 D611 L612	L564-P607 HydrophobicContact CD2-CB 3.9Å; L564-P607 HydrophobicContact CD2-CG 4.13Å; L599-P607 HydrophobicContact CD2-CG 3.57Å; L599-P607 HydrophobicContact CG-CG 4.39Å; I603-P607 HydrophobicContact CD1-CG 4.29Å; Y605-P607 HydrophobicContact CE2-CB 3.96Å; P607-D611 HydrophobicContact CB-CB 4.12Å; P607-L612 HydrophobicContact CB-CD2 3.94Å; P607-L612 HydrophobicContact CB-CG 4.15Å; P607-L612 HydrophobicContact CG-CD2 3.86Å; P607-L612 HydrophobicContact CG-CG 4.34Å
608	T	93.9	Very high	91.8	Very high	66 Å²	66	45.9 Å²	45.9	41%	0.405	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-79	163	172	70.9	0	0	0	0	110.8	K610 D611 L612	T608-K610 PolarHBondContact O-N 3.15Å; T608-K610 VanDerWaalsContact O-N 3.1Å; T608-K610 PolarHBondContact OG1-N 3.15Å; T608-D611 VanDerWaalsContact CB-OD2 3.3Å; T608-D611 WeakPolarHBondContact CB-OD2 3.43Å; T608-D611 WeakPolarHBondContact CG2-OD2 3.43Å; T608-D611 PolarHBondContact N-OD2 3.01Å; T608-D611 PolarHBondContact O-N 3.33Å; T608-D611 VanDerWaalsContact O-N 3.09Å; T608-D611 PolarHBondContact OG1-N 3.49Å; T608-D611 PolarHBondContact OG1-OD1 2.91Å; T608-D611 PolarHBondContact OG1-OD2 2.82Å; T608-L612 PolarHBondContact O-N 2.76Å; T608-L612 VanDerWaalsContact O-N 3.12Å
609	P	95.9	Very high	91.4	Very high	27 Å²	27	47.6 Å²	47.6	18%	0.175	24%	0.241	C	C	.	.	H	α-helix	trans	-50.7	-33.1	171	-30.8	36.9	0	0	0	113.9	L244 E249 T252 F253 A613	L244-P609 HydrophobicContact CD2-CG 4.08Å; E249-P609 HydrophobicContact CB-CG 4.2Å; E249-P609 HydrophobicContact CG-CG 4.38Å; T252-P609 HydrophobicContact CG2-CB 4.11Å; F253-P609 HydrophobicContact CB-CB 3.96Å; F253-P609 WeakPolarHBondContact CD2-O 3.45Å; P609-A613 PolarHBondContact O-N 3.32Å
610	K	95.8	Very high	91.3	Very high	139 Å²	139	47.9 Å²	47.9	60%	0.604	24%	0.242	S	C	*	.	H	α-helix	trans	-77.3	-38	178.9	-68.8	-173	175.9	-171.5	0	112.5	A256 T608 L612 A613 E614	A256-K610 HydrophobicContact CB-CG 4.49Å; T608-K610 PolarHBondContact O-N 3.15Å; T608-K610 VanDerWaalsContact O-N 3.1Å; T608-K610 PolarHBondContact OG1-N 3.15Å; K610-L612 VanDerWaalsContact C-N 3.28Å; K610-L612 PolarHBondContact O-N 2.93Å; K610-A613 PolarHBondContact O-N 3.41Å; K610-A613 VanDerWaalsContact O-N 3.13Å; K610-E614 WeakPolarHBondContact O-CB 3.48Å; K610-E614 PolarHBondContact O-N 2.92Å
611	D	94.4	Very high	90.4	Very high	49 Å²	49	48.1 Å²	48.1	26%	0.262	24%	0.241	S	C	.	.	H	α-helix	trans	-61.6	-40.5	176	-53.8	-37.9	0	0	0	110.6	P607 T608 E614 V615	P607-D611 HydrophobicContact CB-CB 4.12Å; T608-D611 VanDerWaalsContact CB-OD2 3.3Å; T608-D611 WeakPolarHBondContact CB-OD2 3.43Å; T608-D611 WeakPolarHBondContact CG2-OD2 3.43Å; T608-D611 PolarHBondContact N-OD2 3.01Å; T608-D611 PolarHBondContact O-N 3.33Å; T608-D611 VanDerWaalsContact O-N 3.09Å; T608-D611 PolarHBondContact OG1-N 3.49Å; T608-D611 PolarHBondContact OG1-OD1 2.91Å; T608-D611 PolarHBondContact OG1-OD2 2.82Å; D611-E614 PolarHBondContact O-N 3.39Å; D611-V615 PolarHBondContact O-N 3.44Å; D611-V615 VanDerWaalsContact O-N 3.15Å
612	L	95.6	Very high	89	Confident	4 Å²	4	49.9 Å²	49.9	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-35.9	174.6	-65	178.5	0	0	0	112.7	L244 F253 V557 A560 V561 P607 T608 K610 V615	L244-L612 HydrophobicContact CD2-CD1 4.09Å; F253-L612 HydrophobicContact CD2-CB 3.84Å; F253-L612 HydrophobicContact CE2-CB 3.69Å; V557-L612 HydrophobicContact CG1-CD1 4.3Å; A560-L612 HydrophobicContact CB-CB 3.93Å; A560-L612 HydrophobicContact CB-CD2 3.96Å; A560-L612 VanDerWaalsContact CB-O 3.29Å; A560-L612 WeakPolarHBondContact CB-O 3.5Å; V561-L612 HydrophobicContact CG2-CD2 3.71Å; P607-L612 HydrophobicContact CB-CD2 3.94Å; P607-L612 HydrophobicContact CB-CG 4.15Å; P607-L612 HydrophobicContact CG-CD2 3.86Å; P607-L612 HydrophobicContact CG-CG 4.34Å; T608-L612 PolarHBondContact O-N 2.76Å; T608-L612 VanDerWaalsContact O-N 3.12Å; K610-L612 VanDerWaalsContact C-N 3.28Å; K610-L612 PolarHBondContact O-N 2.93Å; L612-V615 VanDerWaalsContact O-CG1 3.3Å; L612-V615 WeakPolarHBondContact O-CG1 3.11Å
613	A	96.6	Very high	87.4	Confident	2 Å²	2	56 Å²	56	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-69.4	-41.7	175.5	0	0	0	0	0	111.3	F253 A256 V257 P609 K610 V615 L616	F253-A613 HydrophobicContact CD2-CB 4.11Å; F253-A613 HydrophobicContact CE2-CB 4.37Å; A256-A613 HydrophobicContact CB-CB 3.65Å; V257-A613 HydrophobicContact CG2-CB 3.68Å; P609-A613 PolarHBondContact O-N 3.32Å; K610-A613 PolarHBondContact O-N 3.41Å; K610-A613 VanDerWaalsContact O-N 3.13Å; A613-V615 PolarHBondContact O-N 2.86Å; A613-L616 PolarHBondContact O-N 3.35Å
614	E	94.9	Very high	85.2	Confident	107 Å²	107	68 Å²	68	50%	0.5	34%	0.342	S	S	.	.	H	α-helix	trans	-63.3	-42.7	-178.3	-171	177.9	169.6	0	0	112.2	K610 D611 L616 L617 Q618	K610-E614 WeakPolarHBondContact O-CB 3.48Å; K610-E614 PolarHBondContact O-N 2.92Å; D611-E614 PolarHBondContact O-N 3.39Å; E614-L616 VanDerWaalsContact C-N 3.3Å; E614-L616 PolarHBondContact O-N 3.49Å; E614-L617 WeakPolarHBondContact O-CB 3.32Å; E614-L617 PolarHBondContact O-N 3.45Å; E614-Q618 PolarHBondContact O-N 2.79Å
615	V	93.8	Very high	85.1	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.024	33%	0.331	C	S	.	.	H	α-helix	trans	-65.2	-32.6	-179.8	70.9	0	0	0	0	112.7	A560 L563 L564 D611 L612 A613 L617 Q618 D619	A560-V615 HydrophobicContact CB-CG1 3.82Å; A560-V615 WeakPolarHBondContact O-CG1 3.23Å; L563-V615 HydrophobicContact CB-CG2 3.88Å; L564-V615 HydrophobicContact CB-CG1 4.43Å; L564-V615 HydrophobicContact CB-CG2 4.21Å; L564-V615 HydrophobicContact CD1-CG2 4.47Å; D611-V615 PolarHBondContact O-N 3.44Å; D611-V615 VanDerWaalsContact O-N 3.15Å; L612-V615 VanDerWaalsContact O-CG1 3.3Å; L612-V615 WeakPolarHBondContact O-CG1 3.11Å; A613-V615 PolarHBondContact O-N 2.86Å; V615-L617 PolarHBondContact O-N 3.2Å; V615-Q618 PolarHBondContact O-N 3.12Å; V615-D619 PolarHBondContact O-N 2.81Å
616	L	93.5	Very high	84.8	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-64.6	-27.7	174.1	-71.9	169.3	0	0	0	112.5	F253 V257 L491 L556 R559 A560 L563 A613 E614	F253-L616 HydrophobicContact CE2-CD1 3.85Å; F253-L616 HydrophobicContact CZ-CD1 3.66Å; V257-L616 HydrophobicContact CG2-CD1 3.98Å; L491-L616 HydrophobicContact CD1-CD1 4.25Å; L491-L616 HydrophobicContact CD2-CB 3.95Å; L556-L616 HydrophobicContact CB-CD1 4.45Å; R559-L616 HydrophobicContact CB-CD2 4.17Å; R559-L616 HydrophobicContact CG-CD2 3.85Å; A560-L616 HydrophobicContact CB-CD1 4.01Å; A560-L616 HydrophobicContact CB-CD2 4.1Å; A560-L616 HydrophobicContact CB-CG 3.78Å; L563-L616 HydrophobicContact CD1-CD2 3.95Å; A613-L616 PolarHBondContact O-N 3.35Å; E614-L616 VanDerWaalsContact C-N 3.3Å; E614-L616 PolarHBondContact O-N 3.49Å
617	L	89.8	Confident	84.5	Confident	42 Å²	42	63.6 Å²	63.6	22%	0.22	32%	0.322	C	S	.	.	H	α-helix	trans	-77.2	-35.8	175.9	-56.3	163.9	0	0	0	112.1	S260 V261 E614 V615 D619 L620	S260-L617 VanDerWaalsContact CB-CD2 3.45Å; V261-L617 HydrophobicContact CG1-CD2 3.44Å; V261-L617 VanDerWaalsContact CG1-CD2 3.44Å; E614-L617 WeakPolarHBondContact O-CB 3.32Å; E614-L617 PolarHBondContact O-N 3.45Å; V615-L617 PolarHBondContact O-N 3.2Å; L617-D619 PolarHBondContact O-N 3.08Å; L617-L620 HydrophobicContact CD2-CD1 4.4Å; L617-L620 WeakPolarHBondContact O-CB 3.23Å; L617-L620 PolarHBondContact O-N 2.87Å
618	Q	87.7	Confident	84.1	Confident	113 Å²	113	66.3 Å²	66.3	53%	0.528	34%	0.335	S	S	.	.	H	α-helix	trans	-64.1	-27.2	178.7	-66.9	173.8	5.3	0	0	111.7	E614 V615 L620	E614-Q618 PolarHBondContact O-N 2.79Å; V615-Q618 PolarHBondContact O-N 3.12Å; Q618-L620 VanDerWaalsContact C-N 3.29Å
619	D	84.9	Confident	83.5	Confident	37 Å²	37	66.3 Å²	66.3	20%	0.198	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-13.3	174.1	-171.1	51.5	0	0	0	113.6	S484 R559 L563 V615 L617	S484-D619 PolarHBondContact OG-O 3.08Å; R559-D619 IonicContact CZ-OD2 3.69Å; R559-D619 IonicContact NE-OD2 3.3Å; R559-D619 IonicContact NH2-OD2 2.67Å; R559-D619 PolarHBondContact NH2-OD2 3.29Å; L563-D619 HydrophobicContact CD1-CB 3.61Å; L563-D619 HydrophobicContact CD2-CB 4Å; L563-D619 WeakPolarHBondContact CD2-OD1 3.47Å; L563-D619 HydrophobicContact CG-CB 4.43Å; V615-D619 PolarHBondContact O-N 2.81Å; L617-D619 PolarHBondContact O-N 3.08Å
620	L	83.6	Confident	82.7	Confident	8 Å²	8	68.9 Å²	68.9	4%	0.042	34%	0.341	C	S	.	.	S	Bend	trans	-80.4	140.2	172.5	-57.6	177.9	0	0	0	109.7	V261 R264 A488 L491 L617 Q618 T622	V261-L620 HydrophobicContact CG1-CD1 4.06Å; R264-L620 VanDerWaalsContact CZ-CB 3.48Å; A488-L620 HydrophobicContact CB-CD1 4.03Å; L491-L620 HydrophobicContact CD2-CD1 4.33Å; L617-L620 HydrophobicContact CD2-CD1 4.4Å; L617-L620 WeakPolarHBondContact O-CB 3.23Å; L617-L620 PolarHBondContact O-N 2.87Å; Q618-L620 VanDerWaalsContact C-N 3.29Å; L620-T622 PolarHBondContact O-N 3.23Å
621	P	72.4	Confident	81.8	Confident	22 Å²	22	63.9 Å²	63.9	14%	0.143	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-54.2	137.2	-174.1	-26.9	34.3	0	0	0	111.7	R264 D482 S484 E623	R264-P621 PolarHBondContact NH1-O 3.37Å; R264-P621 VanDerWaalsContact NH2-CD 3.27Å; R264-P621 PolarHBondContact NH2-O 2.82Å; D482-P621 HydrophobicContact CB-CG 3.96Å; D482-P621 WeakPolarHBondContact OD1-CG 3.29Å; D482-P621 VanDerWaalsContact OD2-CB 3.24Å; D482-P621 WeakPolarHBondContact OD2-CB 3.39Å; D482-P621 WeakPolarHBondContact OD2-CG 3.31Å; S484-P621 WeakPolarHBondContact O-CD 3.44Å; S484-P621 VanDerWaalsContact OG-CD 3.24Å; S484-P621 WeakPolarHBondContact OG-CD 3.34Å; S484-P621 WeakPolarHBondContact OG-CG 3.47Å; P621-E623 PolarHBondContact O-N 3.12Å
622	T	62.1	Low	80.8	Confident	125 Å²	125	65.1 Å²	65.1	77%	0.767	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-58.9	139	172.1	37.9	0	0	0	0	110.4	L620 Q624	L620-T622 PolarHBondContact O-N 3.23Å; T622-Q624 PolarHBondContact O-N 3.45Å
623	E	53.7	Low	79.6	Confident	131 Å²	131	70.2 Å²	70.2	61%	0.612	35%	0.352	S	S	*	.			trans	-53	111.6	176.8	-62.7	179	-169.6	0	0	109.8	R267 P621	R267-E623 IonicContact CZ-OE1 3.14Å; R267-E623 IonicContact CZ-OE2 2.79Å; R267-E623 IonicContact NH1-OE1 3.13Å; R267-E623 PolarHBondContact NH1-OE1 2.96Å; R267-E623 IonicContact NH1-OE2 3.66Å; R267-E623 PolarHBondContact NH1-OE2 3.5Å; R267-E623 IonicContact NH2-OE1 2.7Å; R267-E623 PolarHBondContact NH2-OE1 2.85Å; R267-E623 IonicContact NH2-OE2 3.58Å; P621-E623 PolarHBondContact O-N 3.12Å
624	Q	41.8	Very low	78	Confident	251 Å²	251	76.4 Å²	76.4	100%	1.173	38%	0.382	S	S	*	.			trans	-94.2	0	161	-69.8	-175.6	8	0	0	108	T622	T622-Q624 PolarHBondContact O-N 3.45Å

Retrieved 624 of 624 residues in 945.7 ms (Link to these results)

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