G4VFN4_SCHMA Loading...

C64 protease (C64 family)

AlphaFold DB , UniProt , Accession G4VFN4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 234 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	36.1	Very low	41.1	Very low	245 Å²	245	153 Å²	153	100%	1.207	84%	0.836	S	S	*	*				0	117.1	0	-72.9	173.4	178.3	0	0	105.5
2	D	39.3	Very low	41.7	Very low	160 Å²	160	149 Å²	149	86%	0.856	83%	0.828	S	S	*	*			trans	-150	137.7	169.5	-137.5	-14.2	0	0	0	111.3
3	N	35.6	Very low	42.5	Very low	148 Å²	148	147.2 Å²	147.2	79%	0.791	82%	0.823	S	S	*	*			trans	-114	110.5	-173.3	-175.9	19.9	0	0	0	105.6
4	T	41.5	Very low	43.6	Very low	118 Å²	118	149.6 Å²	149.6	72%	0.724	83%	0.825	S	S	*	*			trans	-135.6	99.4	169.2	38.5	0	0	0	0	110.2
5	C	36.6	Very low	45.1	Very low	112 Å²	112	152.7 Å²	152.7	76%	0.757	83%	0.827	S	S	*	*			trans	-70.6	116.6	157.2	177.6	0	0	0	0	107.8
6	T	41.4	Very low	46.6	Very low	131 Å²	131	149.3 Å²	149.3	80%	0.804	81%	0.812	S	S	*	*			trans	-120.6	116.2	165.6	-13.7	0	0	0	0	108.1	D8	T6-D8 PolarHBondContact O-N 2.77Å
7	Q	43.2	Very low	48.8	Very low	163 Å²	163	144.6 Å²	144.6	76%	0.762	79%	0.793	S	S	*	*			trans	-70.4	116.5	175.3	-67.8	171	-20.4	0	0	109.4
8	D	42.6	Very low	50.6	Low	158 Å²	158	146.8 Å²	146.8	85%	0.845	79%	0.794	S	S	*	*			trans	-91.1	105.5	163.7	-110.2	-25.3	0	0	0	109.4	T6 L10	T6-D8 PolarHBondContact O-N 2.77Å; D8-L10 PolarHBondContact O-N 3.29Å
9	K	44.9	Very low	52	Low	189 Å²	189	141.8 Å²	141.8	82%	0.822	77%	0.774	S	S	*	*			trans	-70.4	91.4	170.1	-75.7	-178.3	177	177	0	108.8	A11	K9-A11 PolarHBondContact O-N 3.43Å
10	L	44.6	Very low	53.7	Low	167 Å²	167	136.2 Å²	136.2	87%	0.874	75%	0.747	S	S	*	*			trans	-66	101.7	167.1	-74.1	163.2	0	0	0	109.3	D8 S12	D8-L10 PolarHBondContact O-N 3.29Å; L10-S12 PolarHBondContact O-N 3Å
11	A	46.7	Very low	55.3	Low	92 Å²	92	138.8 Å²	138.8	76%	0.76	75%	0.746	S	S	*	*			trans	-55.1	117.4	169.7	0	0	0	0	0	109.4	K9 T13	K9-A11 PolarHBondContact O-N 3.43Å; A11-T13 PolarHBondContact O-N 2.77Å
12	S	48.2	Very low	57.6	Low	105 Å²	105	135.6 Å²	135.6	73%	0.734	72%	0.721	S	S	*	*			trans	-70.9	103.5	179.6	56.3	0	0	0	0	109.7	L10 Q14	L10-S12 PolarHBondContact O-N 3Å; S12-Q14 VanDerWaalsContact C-N 3.32Å; S12-Q14 PolarHBondContact O-N 2.72Å
13	T	51.7	Low	59.8	Low	125 Å²	125	137 Å²	137	77%	0.767	71%	0.714	S	S	*	*			trans	-66.7	95.8	163.1	55.7	0	0	0	0	107.4	A11 K15	A11-T13 PolarHBondContact O-N 2.77Å; T13-K15 PolarHBondContact O-N 3.03Å
14	Q	58	Low	62.2	Low	182 Å²	182	135.4 Å²	135.4	85%	0.85	70%	0.702	S	S	*	*			trans	-59.1	105	174.5	-80.9	-177.5	-16.8	0	0	108.8	S12 V16	S12-Q14 VanDerWaalsContact C-N 3.32Å; S12-Q14 PolarHBondContact O-N 2.72Å; Q14-V16 PolarHBondContact O-N 2.84Å
15	K	66.9	Low	64.5	Low	196 Å²	196	137.7 Å²	137.7	85%	0.852	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-61.6	128.6	173.5	-76.5	179	176.5	174.7	0	108.7	T13 S17	T13-K15 PolarHBondContact O-N 3.03Å; K15-S17 PolarHBondContact O-N 3.39Å
16	V	69.1	Low	66.6	Low	98 Å²	98	141.3 Å²	141.3	59%	0.594	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-48.4	128.9	174	177.7	0	0	0	0	109.8	Q14 A20	Q14-V16 PolarHBondContact O-N 2.84Å; V16-A20 HydrophobicContact CG1-CB 3.59Å
17	S	82.6	Confident	68.5	Low	69 Å²	69	137.7 Å²	137.7	48%	0.483	68%	0.683	S	S	.	*	P	Polyproline II helix	trans	-65.7	152.8	-176.3	75.6	0	0	0	0	111.5	K15 A19 A20 R21	K15-S17 PolarHBondContact O-N 3.39Å; S17-A19 PolarHBondContact O-N 2.59Å; S17-A20 PolarHBondContact O-N 3.2Å; S17-A20 VanDerWaalsContact O-N 3.1Å; S17-A20 WeakPolarHBondContact OG-CB 3.47Å; S17-A20 PolarHBondContact OG-N 3.06Å; S17-R21 PolarHBondContact O-N 3.47Å
18	K	82.6	Confident	70.6	Confident	185 Å²	185	132.9 Å²	132.9	80%	0.804	67%	0.671	S	S	*	*	H	α-helix	trans	-55.4	-34.8	173.5	-71.7	-178.8	178.8	176.5	0	111.8	R22	K18-R22 WeakPolarHBondContact O-CG 3.14Å; K18-R22 PolarHBondContact O-N 3.22Å; K18-R22 VanDerWaalsContact O-N 3.08Å
19	A	76.6	Confident	72.5	Confident	51 Å²	51	130.3 Å²	130.3	42%	0.421	66%	0.657	S	S	.	*	H	α-helix	trans	-68.3	-43.5	176.9	0	0	0	0	0	112	S17 R22 R23	S17-A19 PolarHBondContact O-N 2.59Å; A19-R22 PolarHBondContact O-N 3.33Å; A19-R23 WeakPolarHBondContact O-CG 3.06Å; A19-R23 PolarHBondContact O-N 3.45Å
20	A	85.9	Confident	74.2	Confident	29 Å²	29	126.6 Å²	126.6	24%	0.24	64%	0.642	C	S	.	*	H	α-helix	trans	-61	-47	175.4	0	0	0	0	0	111.3	V16 S17 R22 R23 E24	V16-A20 HydrophobicContact CG1-CB 3.59Å; S17-A20 PolarHBondContact O-N 3.2Å; S17-A20 VanDerWaalsContact O-N 3.1Å; S17-A20 WeakPolarHBondContact OG-CB 3.47Å; S17-A20 PolarHBondContact OG-N 3.06Å; A20-R22 VanDerWaalsContact C-N 3.3Å; A20-R22 PolarHBondContact O-N 3.19Å; A20-R23 WeakPolarHBondContact O-CB 3.47Å; A20-R23 PolarHBondContact O-N 3.01Å; A20-E24 WeakPolarHBondContact O-CG 3.43Å; A20-E24 PolarHBondContact O-N 3.47Å
21	R	87.1	Confident	75.9	Confident	191 Å²	191	124.3 Å²	124.3	72%	0.721	63%	0.627	S	S	*	*	H	α-helix	trans	-60.8	-36.2	176	-167.5	178.1	-178.7	-171	0.9	113.1	S17 K25	S17-R21 PolarHBondContact O-N 3.47Å; R21-K25 WeakPolarHBondContact O-CB 3.46Å; R21-K25 PolarHBondContact O-N 3.4Å
22	R	85	Confident	77.8	Confident	179 Å²	179	122.6 Å²	122.6	68%	0.675	61%	0.613	S	S	*	*	H	α-helix	trans	-67.4	-40	173.7	-76.2	177.9	-179.9	-166.1	-0.5	111.9	K18 A19 A20 R26	K18-R22 WeakPolarHBondContact O-CG 3.14Å; K18-R22 PolarHBondContact O-N 3.22Å; K18-R22 VanDerWaalsContact O-N 3.08Å; A19-R22 PolarHBondContact O-N 3.33Å; A20-R22 VanDerWaalsContact C-N 3.3Å; A20-R22 PolarHBondContact O-N 3.19Å; R22-R26 WeakPolarHBondContact O-CG 3.39Å; R22-R26 PolarHBondContact O-N 2.85Å; R22-R26 VanDerWaalsContact O-N 3.11Å
23	R	84.7	Confident	79.4	Confident	188 Å²	188	122.7 Å²	122.7	71%	0.709	60%	0.602	S	S	*	*	H	α-helix	trans	-65.3	-45.6	175.3	-70.8	175.3	-173.4	170.6	1	111.5	A19 A20 R26 A27	A19-R23 WeakPolarHBondContact O-CG 3.06Å; A19-R23 PolarHBondContact O-N 3.45Å; A20-R23 WeakPolarHBondContact O-CB 3.47Å; A20-R23 PolarHBondContact O-N 3.01Å; R23-R26 PolarHBondContact O-N 3.03Å; R23-A27 WeakPolarHBondContact O-CB 3.38Å; R23-A27 PolarHBondContact O-N 3.46Å
24	E	87.2	Confident	80.7	Confident	115 Å²	115	120.8 Å²	120.8	54%	0.537	58%	0.584	S	S	.	*	H	α-helix	trans	-61	-45.3	176.2	-73.2	167.8	-168.3	0	0	112.2	A20 R26 A27 A28	A20-E24 WeakPolarHBondContact O-CG 3.43Å; A20-E24 PolarHBondContact O-N 3.47Å; E24-R26 VanDerWaalsContact C-N 3.32Å; E24-R26 PolarHBondContact O-N 3.47Å; E24-A27 PolarHBondContact O-N 2.78Å; E24-A28 WeakPolarHBondContact O-CB 3.18Å; E24-A28 PolarHBondContact O-N 3.42Å
25	K	88.7	Confident	82	Confident	166 Å²	166	114.3 Å²	114.3	72%	0.722	56%	0.557	S	S	*	*	H	α-helix	trans	-61.3	-41	176.6	-173.8	178.9	179.2	-176.9	0	111.9	R21 L29	R21-K25 WeakPolarHBondContact O-CB 3.46Å; R21-K25 PolarHBondContact O-N 3.4Å; K25-L29 WeakPolarHBondContact O-CB 3.29Å; K25-L29 PolarHBondContact O-N 3.39Å
26	R	80.3	Confident	82.8	Confident	189 Å²	189	107.4 Å²	107.4	71%	0.713	54%	0.537	S	S	*	.	H	α-helix	trans	-65.6	-46.1	175.8	-74.4	177	-179.3	-175.5	-2	111.4	R22 R23 E24 A28 L29 Q30	R22-R26 WeakPolarHBondContact O-CG 3.39Å; R22-R26 PolarHBondContact O-N 2.85Å; R22-R26 VanDerWaalsContact O-N 3.11Å; R23-R26 PolarHBondContact O-N 3.03Å; E24-R26 VanDerWaalsContact C-N 3.32Å; E24-R26 PolarHBondContact O-N 3.47Å; R26-A28 PolarHBondContact O-N 3.26Å; R26-L29 PolarHBondContact O-N 3.06Å; R26-Q30 WeakPolarHBondContact O-CB 3.46Å; R26-Q30 PolarHBondContact O-N 3.42Å
27	A	81.7	Confident	83.3	Confident	55 Å²	55	103.4 Å²	103.4	46%	0.455	51%	0.513	S	S	.	.	H	α-helix	trans	-61.7	-42	177.3	0	0	0	0	0	112.2	R23 E24 Q30 H31	R23-A27 WeakPolarHBondContact O-CB 3.38Å; R23-A27 PolarHBondContact O-N 3.46Å; E24-A27 PolarHBondContact O-N 2.78Å; A27-Q30 PolarHBondContact O-N 2.85Å; A27-H31 WeakPolarHBondContact O-CB 3.5Å; A27-H31 PolarHBondContact O-N 3.1Å
28	A	86.5	Confident	83.2	Confident	62 Å²	62	103.8 Å²	103.8	51%	0.512	51%	0.51	S	S	.	.	H	α-helix	trans	-65.5	-42.3	176.7	0	0	0	0	0	112.4	E24 R26 H31 A32	E24-A28 WeakPolarHBondContact O-CB 3.18Å; E24-A28 PolarHBondContact O-N 3.42Å; R26-A28 PolarHBondContact O-N 3.26Å; A28-H31 PolarHBondContact O-N 3.26Å; A28-A32 WeakPolarHBondContact O-CB 3.2Å; A28-A32 PolarHBondContact O-N 3.4Å
29	L	84.3	Confident	83.2	Confident	104 Å²	104	103 Å²	103	55%	0.545	50%	0.502	S	S	.	.	H	α-helix	trans	-63.2	-44.7	175.3	-178.8	62	0	0	0	111.3	K25 R26 H31 A32 Q33	K25-L29 WeakPolarHBondContact O-CB 3.29Å; K25-L29 PolarHBondContact O-N 3.39Å; R26-L29 PolarHBondContact O-N 3.06Å; L29-H31 PolarHBondContact O-N 3.2Å; L29-A32 PolarHBondContact O-N 3.13Å; L29-Q33 WeakPolarHBondContact O-CG 3.24Å; L29-Q33 PolarHBondContact O-N 2.9Å
30	Q	78.9	Confident	83.2	Confident	110 Å²	110	106.4 Å²	106.4	51%	0.514	51%	0.513	S	S	.	.	H	α-helix	trans	-61.9	-43	177.2	-172.3	175.4	15.3	0	0	111.6	R26 A27 A32 Q33 Q34	R26-Q30 WeakPolarHBondContact O-CB 3.46Å; R26-Q30 PolarHBondContact O-N 3.42Å; A27-Q30 PolarHBondContact O-N 2.85Å; Q30-A32 PolarHBondContact O-N 3.49Å; Q30-Q33 PolarHBondContact O-N 2.86Å; Q30-Q34 WeakPolarHBondContact O-CB 3.26Å; Q30-Q34 PolarHBondContact O-N 3.28Å
31	H	81.9	Confident	82.7	Confident	120 Å²	120	107.1 Å²	107.1	56%	0.556	51%	0.512	S	S	*	.	H	α-helix	trans	-64.2	-39.8	176.5	-175.9	64.8	0	0	0	112.5	A27 A28 L29 Q34 T35	A27-H31 WeakPolarHBondContact O-CB 3.5Å; A27-H31 PolarHBondContact O-N 3.1Å; A28-H31 PolarHBondContact O-N 3.26Å; L29-H31 PolarHBondContact O-N 3.2Å; H31-Q34 PolarHBondContact O-N 3.03Å; H31-T35 WeakPolarHBondContact O-CB 3.44Å; H31-T35 PolarHBondContact O-N 3.19Å; H31-T35 PolarHBondContact O-OG1 3.43Å
32	A	86.4	Confident	82.1	Confident	56 Å²	56	105.8 Å²	105.8	46%	0.463	51%	0.514	S	S	.	.	H	α-helix	trans	-64.8	-43.3	175.1	0	0	0	0	0	111.8	A28 L29 Q30 T35 A36	A28-A32 WeakPolarHBondContact O-CB 3.2Å; A28-A32 PolarHBondContact O-N 3.4Å; L29-A32 PolarHBondContact O-N 3.13Å; Q30-A32 PolarHBondContact O-N 3.49Å; A32-T35 PolarHBondContact O-N 3.12Å; A32-A36 WeakPolarHBondContact O-CB 3.34Å; A32-A36 PolarHBondContact O-N 3.44Å
33	Q	80.8	Confident	81.8	Confident	107 Å²	107	101 Å²	101	50%	0.5	51%	0.513	S	S	.	.	H	α-helix	trans	-60.8	-47.3	174.4	-74.4	173.3	-26.8	0	0	111.4	L29 Q30 T35 A36 A37	L29-Q33 WeakPolarHBondContact O-CG 3.24Å; L29-Q33 PolarHBondContact O-N 2.9Å; Q30-Q33 PolarHBondContact O-N 2.86Å; Q33-T35 PolarHBondContact O-N 2.92Å; Q33-A36 PolarHBondContact O-N 3.17Å; Q33-A37 WeakPolarHBondContact O-CB 3.27Å; Q33-A37 PolarHBondContact O-N 3.36Å
34	Q	79.7	Confident	81.4	Confident	85 Å²	85	94.4 Å²	94.4	40%	0.397	49%	0.492	S	S	.	.	H	α-helix	trans	-60.3	-43.7	177.1	-172.9	179.3	8.4	0	0	111.9	Q30 H31 A37 L38 L220	Q30-Q34 WeakPolarHBondContact O-CB 3.26Å; Q30-Q34 PolarHBondContact O-N 3.28Å; H31-Q34 PolarHBondContact O-N 3.03Å; Q34-A37 PolarHBondContact O-N 3.37Å; Q34-L38 HydrophobicContact CG-CD1 4.25Å; Q34-L38 WeakPolarHBondContact O-CB 3.39Å; Q34-L38 VanDerWaalsContact O-CG 3.31Å; Q34-L38 WeakPolarHBondContact O-CG 3.25Å; Q34-L38 PolarHBondContact O-N 3.16Å; Q34-L220 HydrophobicContact CB-CD2 4.46Å
35	T	85.6	Confident	81.1	Confident	45 Å²	45	97.8 Å²	97.8	28%	0.276	50%	0.499	S	S	.	.	H	α-helix	trans	-65.2	-44.6	179	-58.9	0	0	0	0	111.9	H31 A32 Q33 A37 L38 R39	H31-T35 WeakPolarHBondContact O-CB 3.44Å; H31-T35 PolarHBondContact O-N 3.19Å; H31-T35 PolarHBondContact O-OG1 3.43Å; A32-T35 PolarHBondContact O-N 3.12Å; Q33-T35 PolarHBondContact O-N 2.92Å; T35-A37 VanDerWaalsContact C-N 3.29Å; T35-A37 PolarHBondContact O-N 2.96Å; T35-L38 PolarHBondContact O-N 3.2Å; T35-R39 WeakPolarHBondContact O-CG 3.3Å; T35-R39 PolarHBondContact O-N 3.3Å; T35-R39 VanDerWaalsContact O-N 3.12Å
36	A	83.9	Confident	80.6	Confident	52 Å²	52	94.1 Å²	94.1	43%	0.43	50%	0.495	S	S	.	.	H	α-helix	trans	-61.3	-41.8	176.5	0	0	0	0	0	111.3	A32 Q33 R39 N40	A32-A36 WeakPolarHBondContact O-CB 3.34Å; A32-A36 PolarHBondContact O-N 3.44Å; Q33-A36 PolarHBondContact O-N 3.17Å; A36-R39 WeakPolarHBondContact O-CB 3.42Å; A36-R39 PolarHBondContact O-N 3.29Å; A36-N40 PolarHBondContact O-N 3Å
37	A	79	Confident	80.7	Confident	13 Å²	13	90.6 Å²	90.6	11%	0.107	49%	0.49	C	S	.	.	H	α-helix	trans	-69.4	-40	179.3	0	0	0	0	0	113.6	Q33 Q34 T35 R39 N40 I41 A219	Q33-A37 WeakPolarHBondContact O-CB 3.27Å; Q33-A37 PolarHBondContact O-N 3.36Å; Q34-A37 PolarHBondContact O-N 3.37Å; T35-A37 VanDerWaalsContact C-N 3.29Å; T35-A37 PolarHBondContact O-N 2.96Å; A37-R39 VanDerWaalsContact C-N 3.27Å; A37-R39 PolarHBondContact O-N 3.46Å; A37-N40 WeakPolarHBondContact O-CB 3.35Å; A37-N40 PolarHBondContact O-N 3.16Å; A37-I41 PolarHBondContact O-N 2.77Å; A37-I41 VanDerWaalsContact O-N 3.17Å; A37-A219 VanDerWaalsContact CB-C 3.46Å; A37-A219 HydrophobicContact CB-CB 3.26Å; A37-A219 WeakPolarHBondContact CB-O 3.38Å
38	L	80.4	Confident	81	Confident	77 Å²	77	89 Å²	89	40%	0.403	48%	0.476	S	S	.	.	H	α-helix	trans	-61.7	-36	173.9	-74.4	172.9	0	0	0	111.9	Q34 T35 N40 I41 Q42 A219	Q34-L38 HydrophobicContact CG-CD1 4.25Å; Q34-L38 WeakPolarHBondContact O-CB 3.39Å; Q34-L38 VanDerWaalsContact O-CG 3.31Å; Q34-L38 WeakPolarHBondContact O-CG 3.25Å; Q34-L38 PolarHBondContact O-N 3.16Å; T35-L38 PolarHBondContact O-N 3.2Å; L38-N40 VanDerWaalsContact C-N 3.35Å; L38-I41 PolarHBondContact O-N 3.22Å; L38-Q42 WeakPolarHBondContact O-CG 3.38Å; L38-Q42 PolarHBondContact O-N 3.06Å; L38-A219 HydrophobicContact CD2-CB 4.29Å; L38-A219 HydrophobicContact CG-CB 4.38Å
39	R	82.1	Confident	81.1	Confident	170 Å²	170	91.4 Å²	91.4	64%	0.642	48%	0.479	S	S	*	.	H	α-helix	trans	-63	-40.1	174.3	-75.8	176.7	174.1	156.8	-0.2	112.4	T35 A36 A37 I41 Q42 A43	T35-R39 WeakPolarHBondContact O-CG 3.3Å; T35-R39 PolarHBondContact O-N 3.3Å; T35-R39 VanDerWaalsContact O-N 3.12Å; A36-R39 WeakPolarHBondContact O-CB 3.42Å; A36-R39 PolarHBondContact O-N 3.29Å; A37-R39 VanDerWaalsContact C-N 3.27Å; A37-R39 PolarHBondContact O-N 3.46Å; R39-I41 VanDerWaalsContact C-N 3.28Å; R39-I41 PolarHBondContact O-N 3.12Å; R39-Q42 PolarHBondContact O-N 2.97Å; R39-A43 PolarHBondContact O-N 3.45Å; R39-A43 VanDerWaalsContact O-N 3.12Å
40	N	76.2	Confident	81.3	Confident	122 Å²	122	90.1 Å²	90.1	65%	0.652	47%	0.467	S	S	*	.	H	α-helix	trans	-63.7	-35.4	175.7	-68.6	-19.7	0	0	0	111.8	A36 A37 L38	A36-N40 PolarHBondContact O-N 3Å; A37-N40 WeakPolarHBondContact O-CB 3.35Å; A37-N40 PolarHBondContact O-N 3.16Å; L38-N40 VanDerWaalsContact C-N 3.35Å
41	I	75.5	Confident	81.8	Confident	43 Å²	43	86 Å²	86	22%	0.221	45%	0.45	C	S	.	.	H	α-helix	trans	-69.4	-33.3	174.3	-65.7	172.6	0	0	0	112	A37 L38 R39 D44 A219	A37-I41 PolarHBondContact O-N 2.77Å; A37-I41 VanDerWaalsContact O-N 3.17Å; L38-I41 PolarHBondContact O-N 3.22Å; R39-I41 VanDerWaalsContact C-N 3.28Å; R39-I41 PolarHBondContact O-N 3.12Å; I41-D44 WeakPolarHBondContact O-CB 3.33Å; I41-D44 PolarHBondContact O-N 2.77Å; I41-A219 HydrophobicContact CD1-CB 3.7Å
42	Q	76.2	Confident	82.3	Confident	163 Å²	163	82.4 Å²	82.4	76%	0.762	44%	0.437	S	S	*	.	H	α-helix	trans	-74.3	-29.1	178.3	-71.5	176.2	20.9	0	0	112.9	L38 R39 D44	L38-Q42 WeakPolarHBondContact O-CG 3.38Å; L38-Q42 PolarHBondContact O-N 3.06Å; R39-Q42 PolarHBondContact O-N 2.97Å; Q42-D44 PolarHBondContact O-N 3.42Å
43	A	78.3	Confident	82.7	Confident	79 Å²	79	80.1 Å²	80.1	65%	0.653	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	11.2	173.5	0	0	0	0	0	113.1	R39	R39-A43 PolarHBondContact O-N 3.45Å; R39-A43 VanDerWaalsContact O-N 3.12Å
44	D	75.1	Confident	83.3	Confident	50 Å²	50	76.3 Å²	76.3	27%	0.267	40%	0.399	S	S	.	.			trans	-71	135.4	-170	-163	31.8	0	0	0	112.1	I41 Q42 S48 R50 S51	I41-D44 WeakPolarHBondContact O-CB 3.33Å; I41-D44 PolarHBondContact O-N 2.77Å; Q42-D44 PolarHBondContact O-N 3.42Å; D44-S48 WeakPolarHBondContact OD1-CB 3.44Å; D44-S48 PolarHBondContact OD1-OG 3.18Å; D44-S48 PolarHBondContact OD2-OG 3.34Å; D44-R50 WeakPolarHBondContact OD2-CD 3.21Å; D44-R50 WeakPolarHBondContact OD2-CG 3.25Å; D44-R50 IonicContact OD2-NH1 2.8Å; D44-S51 PolarHBondContact OD2-OG 2.86Å
45	R	82	Confident	84	Confident	185 Å²	185	77.9 Å²	77.9	70%	0.698	41%	0.405	S	S	*	.			trans	-94.3	153.7	-179.9	-61.3	-178.8	179.5	178.6	0	110.1	D47 S48 S51	R45-D47 WeakPolarHBondContact CB-OD1 3.12Å; R45-D47 PolarHBondContact O-N 3.28Å; R45-S48 VanDerWaalsContact O-CB 3.25Å; R45-S48 WeakPolarHBondContact O-CB 3.29Å; R45-S48 PolarHBondContact O-N 2.93Å; R45-S48 PolarHBondContact O-OG 2.78Å; R45-S48 VanDerWaalsContact O-OG 3.08Å; R45-S51 PolarHBondContact O-OG 2.95Å; R45-S51 VanDerWaalsContact O-OG 3.12Å
46	S	78.9	Confident	84.4	Confident	90 Å²	90	81.1 Å²	81.1	63%	0.629	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-19	-176.8	57.2	0	0	0	0	115.2	S51 K55	S46-S51 WeakPolarHBondContact O-CB 3.4Å; S46-K55 PolarHBondContact O-NZ 3.07Å
47	D	82	Confident	85	Confident	114 Å²	114	78.6 Å²	78.6	61%	0.61	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	3.6	179.3	63.8	-24.5	0	0	0	113.2	R45	R45-D47 WeakPolarHBondContact CB-OD1 3.12Å; R45-D47 PolarHBondContact O-N 3.28Å
48	S	87.7	Confident	85.8	Confident	23 Å²	23	83.6 Å²	83.6	16%	0.161	41%	0.412	C	S	.	.	S	Bend	trans	-64	158.5	178.1	75.3	0	0	0	0	112.5	D44 R45 R50 S51 V52	D44-S48 WeakPolarHBondContact OD1-CB 3.44Å; D44-S48 PolarHBondContact OD1-OG 3.18Å; D44-S48 PolarHBondContact OD2-OG 3.34Å; R45-S48 VanDerWaalsContact O-CB 3.25Å; R45-S48 WeakPolarHBondContact O-CB 3.29Å; R45-S48 PolarHBondContact O-N 2.93Å; R45-S48 PolarHBondContact O-OG 2.78Å; R45-S48 VanDerWaalsContact O-OG 3.08Å; S48-R50 PolarHBondContact O-N 3.06Å; S48-R50 PolarHBondContact OG-N 3.16Å; S48-S51 PolarHBondContact O-N 2.8Å; S48-S51 VanDerWaalsContact O-N 3.13Å; S48-S51 WeakPolarHBondContact OG-CB 3.5Å; S48-S51 PolarHBondContact OG-N 2.85Å; S48-S51 PolarHBondContact OG-OG 3.49Å; S48-V52 WeakPolarHBondContact O-CB 3.49Å; S48-V52 VanDerWaalsContact O-CG2 3.3Å; S48-V52 WeakPolarHBondContact O-CG2 3.17Å; S48-V52 PolarHBondContact O-N 2.74Å
49	L	88.2	Confident	86.5	Confident	111 Å²	111	87.7 Å²	87.7	58%	0.581	43%	0.427	S	S	*	.	H	α-helix	trans	-54.1	-37.7	174.5	-64.3	177.6	0	0	0	111.9	E53 Y216	L49-E53 WeakPolarHBondContact O-CB 3.37Å; L49-E53 PolarHBondContact O-N 2.78Å; L49-Y216 HydrophobicContact CB-CD1 4.29Å; L49-Y216 HydrophobicContact CB-CD2 4Å; L49-Y216 HydrophobicContact CB-CE2 4.42Å; L49-Y216 HydrophobicContact CB-CG 3.92Å; L49-Y216 HydrophobicContact CD1-CD1 4.29Å; L49-Y216 HydrophobicContact CD1-CE1 4.05Å
50	R	89	Confident	87.2	Confident	77 Å²	77	82.9 Å²	82.9	29%	0.291	41%	0.412	S	S	.	.	H	α-helix	trans	-64.2	-52.3	175.3	165.9	165.8	-166.7	-65.5	-7.4	112.4	D44 S48 V52 E53 M54 A217	D44-R50 WeakPolarHBondContact OD2-CD 3.21Å; D44-R50 WeakPolarHBondContact OD2-CG 3.25Å; D44-R50 IonicContact OD2-NH1 2.8Å; S48-R50 PolarHBondContact O-N 3.06Å; S48-R50 PolarHBondContact OG-N 3.16Å; R50-V52 VanDerWaalsContact C-N 3.29Å; R50-V52 PolarHBondContact O-N 2.82Å; R50-E53 PolarHBondContact O-N 3.34Å; R50-M54 PolarHBondContact O-N 3.39Å; R50-A217 PolarHBondContact NE-O 2.96Å
51	S	89.6	Confident	88.1	Confident	23 Å²	23	77.3 Å²	77.3	16%	0.161	38%	0.382	C	S	.	.	H	α-helix	trans	-63.8	-37.2	-179.3	-74.1	0	0	0	0	111.7	D44 R45 S46 S48 K55	D44-S51 PolarHBondContact OD2-OG 2.86Å; R45-S51 PolarHBondContact O-OG 2.95Å; R45-S51 VanDerWaalsContact O-OG 3.12Å; S46-S51 WeakPolarHBondContact O-CB 3.4Å; S48-S51 PolarHBondContact O-N 2.8Å; S48-S51 VanDerWaalsContact O-N 3.13Å; S48-S51 WeakPolarHBondContact OG-CB 3.5Å; S48-S51 PolarHBondContact OG-N 2.85Å; S48-S51 PolarHBondContact OG-OG 3.49Å; S51-K55 WeakPolarHBondContact O-CB 3.31Å; S51-K55 WeakPolarHBondContact O-CD 3.48Å; S51-K55 VanDerWaalsContact O-CG 3.24Å; S51-K55 WeakPolarHBondContact O-CG 3.5Å; S51-K55 PolarHBondContact O-N 3.36Å; S51-K55 VanDerWaalsContact O-N 3.12Å
52	V	91.9	Very high	89.1	Confident	45 Å²	45	78.1 Å²	78.1	27%	0.273	39%	0.392	S	S	.	.	H	α-helix	trans	-67.8	-46.3	175.1	172.9	0	0	0	0	111.1	S48 R50 M54 K55 R56	S48-V52 WeakPolarHBondContact O-CB 3.49Å; S48-V52 VanDerWaalsContact O-CG2 3.3Å; S48-V52 WeakPolarHBondContact O-CG2 3.17Å; S48-V52 PolarHBondContact O-N 2.74Å; R50-V52 VanDerWaalsContact C-N 3.29Å; R50-V52 PolarHBondContact O-N 2.82Å; V52-M54 PolarHBondContact O-N 2.93Å; V52-K55 PolarHBondContact O-N 3.35Å; V52-R56 WeakPolarHBondContact O-CG 3.19Å; V52-R56 PolarHBondContact O-N 2.97Å
53	E	94.3	Very high	90	Very high	9 Å²	9	73.8 Å²	73.8	4%	0.042	38%	0.384	C	S	.	.	H	α-helix	trans	-55.6	-49.7	175.1	170.9	173.8	-92.1	0	0	111.1	L49 R50 K55 R56 L57 A192 R215 Y216 A217	L49-E53 WeakPolarHBondContact O-CB 3.37Å; L49-E53 PolarHBondContact O-N 2.78Å; R50-E53 PolarHBondContact O-N 3.34Å; E53-K55 PolarHBondContact O-N 3.33Å; E53-R56 PolarHBondContact O-N 3.12Å; E53-L57 HydrophobicContact CG-CD1 3.97Å; E53-L57 PolarHBondContact O-N 2.86Å; E53-A192 HydrophobicContact CB-CB 4.11Å; E53-A192 HydrophobicContact CG-CB 3.7Å; E53-R215 WeakPolarHBondContact OE1-CA 3.34Å; E53-R215 WeakPolarHBondContact OE1-CB 3.47Å; E53-R215 PolarHBondContact OE1-N 3.42Å; E53-R215 PolarHBondContact OE2-N 3.19Å; E53-Y216 HydrophobicContact CB-CD2 4.47Å; E53-Y216 PolarHBondContact OE1-N 3Å; E53-Y216 PolarHBondContact OE2-N 3.45Å; E53-A217 VanDerWaalsContact OE2-CB 3.24Å; E53-A217 WeakPolarHBondContact OE2-CB 3.42Å; E53-A217 PolarHBondContact OE2-N 3.41Å
54	M	93	Very high	90.8	Very high	27 Å²	27	74 Å²	74	13%	0.133	37%	0.368	C	S	.	.	H	α-helix	trans	-64.2	-44.4	-178.3	-77.8	-47.8	-44.1	0	0	112.9	R50 V52 R56 L57 E58 L68 A217	R50-M54 PolarHBondContact O-N 3.39Å; V52-M54 PolarHBondContact O-N 2.93Å; M54-R56 VanDerWaalsContact C-N 3.27Å; M54-R56 PolarHBondContact O-N 3.02Å; M54-L57 PolarHBondContact O-N 3.3Å; M54-E58 HydrophobicContact CE-CG 4.26Å; M54-E58 WeakPolarHBondContact O-CB 3.39Å; M54-E58 VanDerWaalsContact O-CG 3.3Å; M54-E58 WeakPolarHBondContact O-CG 3.47Å; M54-E58 PolarHBondContact O-N 3.12Å; M54-L68 HydrophobicContact CE-CD2 4.17Å; M54-A217 HydrophobicContact CG-CB 4.04Å; M54-A217 HydrophobicContact SD-CB 3.72Å
55	K	94.4	Very high	91.8	Very high	118 Å²	118	75.5 Å²	75.5	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-59.4	-38.7	175.9	-73.9	168.3	-176.6	169.2	0	112.2	S46 S51 V52 E53 K59	S46-K55 PolarHBondContact O-NZ 3.07Å; S51-K55 WeakPolarHBondContact O-CB 3.31Å; S51-K55 WeakPolarHBondContact O-CD 3.48Å; S51-K55 VanDerWaalsContact O-CG 3.24Å; S51-K55 WeakPolarHBondContact O-CG 3.5Å; S51-K55 PolarHBondContact O-N 3.36Å; S51-K55 VanDerWaalsContact O-N 3.12Å; V52-K55 PolarHBondContact O-N 3.35Å; E53-K55 PolarHBondContact O-N 3.33Å; K55-K59 WeakPolarHBondContact O-CB 3.44Å; K55-K59 PolarHBondContact O-N 3.47Å; K55-K59 VanDerWaalsContact O-N 3.14Å
56	R	95.8	Very high	92.5	Very high	112 Å²	112	68 Å²	68	42%	0.423	35%	0.346	S	S	.	.	H	α-helix	trans	-67.6	-46.7	177.6	-72.6	176.4	-176.8	171.3	1.1	111.3	V52 E53 M54 K59 E60 A192 E193	V52-R56 WeakPolarHBondContact O-CG 3.19Å; V52-R56 PolarHBondContact O-N 2.97Å; E53-R56 PolarHBondContact O-N 3.12Å; M54-R56 VanDerWaalsContact C-N 3.27Å; M54-R56 PolarHBondContact O-N 3.02Å; R56-K59 WeakPolarHBondContact O-CB 3.46Å; R56-K59 PolarHBondContact O-N 2.82Å; R56-E60 PolarHBondContact O-N 2.84Å; R56-A192 HydrophobicContact CB-CB 3.95Å; R56-A192 VanDerWaalsContact CD-O 3.32Å; R56-A192 WeakPolarHBondContact CD-O 3.49Å; R56-E193 IonicContact NH1-OE1 2.96Å; R56-E193 PolarHBondContact NH1-OE1 2.89Å
57	L	96.3	Very high	93.3	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-64.1	-43.1	177.6	-77.9	171.9	0	0	0	112.6	E53 M54 K59 E60 L61 A192 V212 H214	E53-L57 HydrophobicContact CG-CD1 3.97Å; E53-L57 PolarHBondContact O-N 2.86Å; M54-L57 PolarHBondContact O-N 3.3Å; L57-K59 VanDerWaalsContact C-N 3.3Å; L57-K59 PolarHBondContact O-N 3.44Å; L57-E60 PolarHBondContact O-N 2.8Å; L57-L61 WeakPolarHBondContact O-CB 3.3Å; L57-L61 VanDerWaalsContact O-CG 3.26Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 3.29Å; L57-A192 HydrophobicContact CG-CB 4.08Å; L57-V212 HydrophobicContact CD1-CG1 3.87Å; L57-V212 HydrophobicContact CD2-CG1 3.74Å; L57-V212 HydrophobicContact CG-CG1 4.33Å; L57-H214 WeakPolarHBondContact CD1-ND1 3.06Å
58	E	94.7	Very high	94	Very high	117 Å²	117	63.2 Å²	63.2	55%	0.547	32%	0.317	S	S	.	.	H	α-helix	trans	-60.1	-41.5	175.9	-76.1	172.2	-175.9	0	0	111.8	M54 S62	M54-E58 HydrophobicContact CE-CG 4.26Å; M54-E58 WeakPolarHBondContact O-CB 3.39Å; M54-E58 VanDerWaalsContact O-CG 3.3Å; M54-E58 WeakPolarHBondContact O-CG 3.47Å; M54-E58 PolarHBondContact O-N 3.12Å; E58-S62 VanDerWaalsContact O-CB 3.25Å; E58-S62 WeakPolarHBondContact O-CB 3.12Å; E58-S62 PolarHBondContact O-N 2.86Å
59	K	95.6	Very high	94.4	Very high	163 Å²	163	65.6 Å²	65.6	71%	0.709	32%	0.324	S	S	*	.	H	α-helix	trans	-62	-47.1	175.2	-175.3	-176.1	177.1	-173.8	0	111.3	K55 R56 L57 S62 A63	K55-K59 WeakPolarHBondContact O-CB 3.44Å; K55-K59 PolarHBondContact O-N 3.47Å; K55-K59 VanDerWaalsContact O-N 3.14Å; R56-K59 WeakPolarHBondContact O-CB 3.46Å; R56-K59 PolarHBondContact O-N 2.82Å; L57-K59 VanDerWaalsContact C-N 3.3Å; L57-K59 PolarHBondContact O-N 3.44Å; K59-S62 PolarHBondContact O-N 3.02Å; K59-A63 WeakPolarHBondContact O-CB 3.45Å; K59-A63 PolarHBondContact O-N 3.29Å
60	E	95.9	Very high	94.8	Very high	70 Å²	70	66.8 Å²	66.8	33%	0.327	33%	0.327	S	S	.	.	H	α-helix	trans	-65	-46.5	-179.5	-172.7	61.1	-160.5	0	0	111.8	R56 L57 S62 A63 R64 L190	R56-E60 PolarHBondContact O-N 2.84Å; L57-E60 PolarHBondContact O-N 2.8Å; E60-S62 VanDerWaalsContact C-N 3.35Å; E60-S62 PolarHBondContact O-N 2.77Å; E60-A63 PolarHBondContact O-N 3.42Å; E60-R64 WeakPolarHBondContact O-CG 3.22Å; E60-R64 PolarHBondContact O-N 3.43Å; E60-R64 IonicContact OE1-CZ 3.53Å; E60-R64 IonicContact OE1-NE 2.77Å; E60-R64 PolarHBondContact OE1-NE 2.91Å; E60-R64 IonicContact OE1-NH2 3.19Å; E60-R64 PolarHBondContact OE1-NH2 2.98Å; E60-L190 HydrophobicContact CG-CD2 4.15Å
61	L	96.6	Very high	95.1	Very high	5 Å²	5	63.6 Å²	63.6	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-58.6	-47.5	174.9	-72.1	167.2	0	0	0	110.6	L57 A63 R64 H65 L66 L68 L190 V212 C227	L57-L61 WeakPolarHBondContact O-CB 3.3Å; L57-L61 VanDerWaalsContact O-CG 3.26Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 3.29Å; L61-A63 VanDerWaalsContact C-N 3.35Å; L61-A63 PolarHBondContact O-N 2.92Å; L61-R64 CarbonylContact O-C 3.53Å; L61-R64 PolarHBondContact O-N 3.22Å; L61-R64 VanDerWaalsContact O-N 3.13Å; L61-H65 PolarHBondContact O-N 2.72Å; L61-H65 VanDerWaalsContact O-N 3.16Å; L61-L66 CarbonylContact C-O 3.43Å; L61-L66 HydrophobicContact CB-CB 4.21Å; L61-L66 HydrophobicContact CD2-CB 3.66Å; L61-L66 HydrophobicContact CD2-CD1 4.13Å; L61-L66 WeakPolarHBondContact O-CA 3.33Å; L61-L66 PolarHBondContact O-N 2.74Å; L61-L68 HydrophobicContact CD1-CB 3.93Å; L61-L68 HydrophobicContact CD1-CD1 4.15Å; L61-L190 HydrophobicContact CD2-CD1 3.71Å; L61-V212 HydrophobicContact CD2-CG2 4.03Å; L61-C227 HydrophobicContact CD2-CB 3.92Å
62	S	95.1	Very high	95.2	Very high	60 Å²	60	65.9 Å²	65.9	42%	0.42	33%	0.33	S	S	.	.	H	α-helix	trans	-63.1	-39.1	179.2	-172.7	0	0	0	0	112.6	E58 K59 E60 R64 H65	E58-S62 VanDerWaalsContact O-CB 3.25Å; E58-S62 WeakPolarHBondContact O-CB 3.12Å; E58-S62 PolarHBondContact O-N 2.86Å; K59-S62 PolarHBondContact O-N 3.02Å; E60-S62 VanDerWaalsContact C-N 3.35Å; E60-S62 PolarHBondContact O-N 2.77Å; S62-R64 PolarHBondContact O-N 3.46Å; S62-H65 PolarHBondContact O-N 2.93Å; S62-H65 VanDerWaalsContact O-N 3.12Å
63	A	95.1	Very high	94.9	Very high	72 Å²	72	66.6 Å²	66.6	60%	0.595	34%	0.337	S	S	*	.	H	α-helix	trans	-63.5	-27.6	177.2	0	0	0	0	0	112.4	K59 E60 L61	K59-A63 WeakPolarHBondContact O-CB 3.45Å; K59-A63 PolarHBondContact O-N 3.29Å; E60-A63 PolarHBondContact O-N 3.42Å; L61-A63 VanDerWaalsContact C-N 3.35Å; L61-A63 PolarHBondContact O-N 2.92Å
64	R	95	Very high	94.5	Very high	84 Å²	84	69.1 Å²	69.1	32%	0.317	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	7.3	176.5	-62.3	-179.1	-175.4	-142.6	7.4	113.9	E60 L61 S62 L66 E188 S196	E60-R64 WeakPolarHBondContact O-CG 3.22Å; E60-R64 PolarHBondContact O-N 3.43Å; E60-R64 IonicContact OE1-CZ 3.53Å; E60-R64 IonicContact OE1-NE 2.77Å; E60-R64 PolarHBondContact OE1-NE 2.91Å; E60-R64 IonicContact OE1-NH2 3.19Å; E60-R64 PolarHBondContact OE1-NH2 2.98Å; L61-R64 CarbonylContact O-C 3.53Å; L61-R64 PolarHBondContact O-N 3.22Å; L61-R64 VanDerWaalsContact O-N 3.13Å; S62-R64 PolarHBondContact O-N 3.46Å; R64-L66 HydrophobicContact CB-CD1 3.93Å; R64-L66 HydrophobicContact CB-CG 4.02Å; R64-L66 PolarHBondContact O-N 2.94Å; R64-E188 IonicContact CZ-OE1 3.74Å; R64-E188 IonicContact NH1-OE1 2.71Å; R64-E188 PolarHBondContact NH1-OE1 3.28Å; R64-E188 IonicContact NH1-OE2 3.17Å; R64-E188 PolarHBondContact NH1-OE2 3.08Å; R64-E188 IonicContact NH2-OE1 2.87Å; R64-S196 PolarHBondContact NH2-OG 2.73Å
65	H	96.1	Very high	94.2	Very high	80 Å²	80	68.5 Å²	68.5	37%	0.37	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.4	40.6	-173	-46.3	127.9	0	0	0	112.8	L61 S62 K230 F233	L61-H65 PolarHBondContact O-N 2.72Å; L61-H65 VanDerWaalsContact O-N 3.16Å; S62-H65 PolarHBondContact O-N 2.93Å; S62-H65 VanDerWaalsContact O-N 3.12Å; H65-K230 VanDerWaalsContact O-CB 3.29Å; H65-K230 WeakPolarHBondContact O-CB 3.34Å; H65-K230 PolarHBondContact O-N 3.22Å; H65-F233 HydrophobicContact CB-CB 4.06Å; H65-F233 HydrophobicContact CB-CD1 4.35Å; H65-F233 HydrophobicContact CB-CD2 4.28Å; H65-F233 HydrophobicContact CB-CG 3.98Å; H65-F233 AromaticContact CD2-CD1 3.8Å; H65-F233 AromaticContact CD2-CE1 3.64Å; H65-F233 AromaticContact CD2-CZ 3.82Å; H65-F233 AromaticContact CE1-CD1 3.61Å; H65-F233 AromaticContact CE1-CE1 3.61Å; H65-F233 AromaticContact CG-CD1 3.65Å; H65-F233 AromaticContact CG-CE1 3.99Å; H65-F233 AromaticContact CG-CG 3.77Å; H65-F233 AromaticContact ND1-CD1 3.53Å; H65-F233 AromaticContact ND1-CE1 3.97Å; H65-F233 AromaticContact NE2-CD1 3.78Å; H65-F233 AromaticContact NE2-CE1 3.38Å; H65-F233 WeakPolarHBondContact NE2-CE1 3.46Å; H65-F233 AromaticContact NE2-CZ 3.86Å
66	L	97.2	Very high	94.1	Very high	28 Å²	28	64.4 Å²	64.4	15%	0.147	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	155.4	175.2	-63	172.9	0	0	0	110.9	L61 R64 L190 T210 C227 L228	L61-L66 CarbonylContact C-O 3.43Å; L61-L66 HydrophobicContact CB-CB 4.21Å; L61-L66 HydrophobicContact CD2-CB 3.66Å; L61-L66 HydrophobicContact CD2-CD1 4.13Å; L61-L66 WeakPolarHBondContact O-CA 3.33Å; L61-L66 PolarHBondContact O-N 2.74Å; R64-L66 HydrophobicContact CB-CD1 3.93Å; R64-L66 HydrophobicContact CB-CG 4.02Å; R64-L66 PolarHBondContact O-N 2.94Å; L66-L190 HydrophobicContact CD1-CD1 4.12Å; L66-T210 HydrophobicContact CD1-CG2 4.41Å; L66-C227 HydrophobicContact CB-CB 4.39Å; L66-L228 CarbonylContact C-O 3.57Å; L66-L228 WeakPolarHBondContact CA-O 3.32Å
67	C	96	Very high	94.1	Very high	53 Å²	53	59.6 Å²	59.6	36%	0.358	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	141.7	169.7	-66.8	0	0	0	0	109.3	C227 L228	C67-C227 CarbonylContact O-C 3.45Å; C67-C227 WeakPolarHBondContact O-CA 3.44Å; C67-C227 WeakPolarHBondContact O-CB 3.49Å; C67-L228 PolarHBondContact N-O 3.07Å; C67-L228 PolarHBondContact O-N 3.38Å
68	L	96.7	Very high	94.2	Very high	50 Å²	50	59.7 Å²	59.7	26%	0.262	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	136.2	173.9	-171.5	69	0	0	0	109.8	M54 L61 E70 V212 N225	M54-L68 HydrophobicContact CE-CD2 4.17Å; L61-L68 HydrophobicContact CD1-CB 3.93Å; L61-L68 HydrophobicContact CD1-CD1 4.15Å; L68-E70 HydrophobicContact CD2-CG 4.17Å; L68-E70 HydrophobicContact CG-CG 4.48Å; L68-V212 HydrophobicContact CD1-CB 3.98Å; L68-V212 HydrophobicContact CD1-CG1 4Å; L68-V212 HydrophobicContact CD1-CG2 3.95Å; L68-N225 HydrophobicContact CD1-CB 3.74Å; L68-N225 HydrophobicContact CG-CB 4.49Å
69	F	97.1	Very high	94.3	Very high	73 Å²	73	54.1 Å²	54.1	32%	0.32	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	109.3	169.1	178.1	-89.5	0	0	0	108.6	V71 H84 N225 S226 L228	F69-V71 HydrophobicContact CD1-CG1 3.95Å; F69-V71 HydrophobicContact CE1-CG1 3.93Å; F69-V71 PolarHBondContact O-N 2.8Å; F69-H84 AromaticContact CD1-CD2 3.73Å; F69-H84 AromaticContact CD1-CE1 3.6Å; F69-H84 AromaticContact CD1-CG 3.74Å; F69-H84 AromaticContact CD1-ND1 3.67Å; F69-H84 AromaticContact CD1-NE2 3.66Å; F69-H84 AromaticContact CD2-CE1 3.95Å; F69-H84 AromaticContact CD2-NE2 3.71Å; F69-H84 HydrophobicContact CE1-CB 4.33Å; F69-H84 AromaticContact CE1-CD2 3.34Å; F69-H84 WeakPolarHBondContact CE1-CD2 3.31Å; F69-H84 AromaticContact CE1-CG 3.66Å; F69-H84 AromaticContact CE1-NE2 3.61Å; F69-H84 AromaticContact CE2-NE2 3.66Å; F69-H84 AromaticContact CG-CE1 3.55Å; F69-H84 AromaticContact CG-NE2 3.7Å; F69-H84 AromaticContact CZ-CD2 3.56Å; F69-H84 AromaticContact CZ-NE2 3.61Å; F69-N225 WeakPolarHBondContact O-CB 3.48Å; F69-S226 PolarHBondContact N-O 3.28Å; F69-S226 PolarHBondContact O-N 3Å; F69-L228 HydrophobicContact CB-CD1 4.23Å; F69-L228 HydrophobicContact CB-CG 4.19Å; F69-L228 HydrophobicContact CD2-CD1 3.73Å; F69-L228 HydrophobicContact CD2-CG 4.4Å; F69-L228 HydrophobicContact CG-CD1 4.34Å
70	E	95.9	Very high	94.4	Very high	137 Å²	137	47.7 Å²	47.7	64%	0.64	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-73.6	126.7	-179.8	-66.7	-175.9	-174.3	0	0	110.9	L68 N225	L68-E70 HydrophobicContact CD2-CG 4.17Å; L68-E70 HydrophobicContact CG-CG 4.48Å; E70-N225 VanDerWaalsContact CA-OD1 3.31Å; E70-N225 WeakPolarHBondContact CA-OD1 3.33Å
71	V	95.2	Very high	94.5	Very high	9 Å²	9	44.3 Å²	44.3	6%	0.055	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-101.5	157.2	168.4	-55.4	0	0	0	0	109.3	F69 S73 C77 Q80 Y224 N225	F69-V71 HydrophobicContact CD1-CG1 3.95Å; F69-V71 HydrophobicContact CE1-CG1 3.93Å; F69-V71 PolarHBondContact O-N 2.8Å; V71-S73 PolarHBondContact O-N 3.24Å; V71-C77 HydrophobicContact CG2-CB 4.07Å; V71-Q80 HydrophobicContact CB-CB 3.94Å; V71-Q80 HydrophobicContact CG1-CB 4.18Å; V71-Q80 HydrophobicContact CG2-CB 4.17Å; V71-Y224 WeakPolarHBondContact CG2-O 3.5Å; V71-N225 PolarHBondContact N-OD1 3.48Å
72	P	91.7	Very high	94.5	Very high	71 Å²	71	44.1 Å²	44.1	46%	0.461	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-50.7	132.1	176.4	-26.6	34	0	0	0	112.7	D74 Q80	P72-D74 PolarHBondContact O-N 3.23Å; P72-Q80 VanDerWaalsContact CD-OE1 3.3Å
73	S	85.6	Confident	94.6	Very high	60 Å²	60	41.2 Å²	41.2	42%	0.42	23%	0.229	S	C	.	.	S	Bend	trans	-78.6	59.3	176.6	-50.4	0	0	0	0	112	V71 F218	V71-S73 PolarHBondContact O-N 3.24Å; S73-F218 WeakPolarHBondContact OG-CD1 3.47Å; S73-F218 WeakPolarHBondContact OG-CE1 3.48Å
74	D	85.1	Confident	94.7	Very high	62 Å²	62	39 Å²	39	33%	0.332	21%	0.206	S	C	.	.	S	Bend	trans	-109.5	-177	173	60.3	30	0	0	0	110.9	P72 D76 C77 Q80	P72-D74 PolarHBondContact O-N 3.23Å; D74-D76 PolarHBondContact O-N 3.37Å; D74-D76 VanDerWaalsContact O-N 3.12Å; D74-D76 VanDerWaalsContact OD1-CA 3.32Å; D74-D76 WeakPolarHBondContact OD1-CA 3.25Å; D74-D76 VanDerWaalsContact OD1-CB 3.3Å; D74-D76 WeakPolarHBondContact OD1-CB 3.41Å; D74-D76 PolarHBondContact OD1-N 2.94Å; D74-C77 PolarHBondContact O-N 2.92Å; D74-C77 PolarHBondContact OD1-N 3.12Å; D74-Q80 PolarHBondContact OD1-NE2 2.9Å; D74-Q80 PolarHBondContact OD2-NE2 3.45Å
75	G	86.8	Confident	94.8	Very high	14 Å²	14	35.2 Å²	35.2	14%	0.144	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-2.2	178	0	0	0	0	0	114.6	R125 S168	G75-R125 PolarHBondContact O-NH2 3.23Å; G75-S168 WeakPolarHBondContact CA-O 3.3Å
76	D	93.7	Very high	94.8	Very high	33 Å²	33	31.4 Å²	31.4	18%	0.176	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	0.9	179.9	-63.3	-46.9	0	0	0	113.2	D74 L78 Y79 Q80 V121 R125	D74-D76 PolarHBondContact O-N 3.37Å; D74-D76 VanDerWaalsContact O-N 3.12Å; D74-D76 VanDerWaalsContact OD1-CA 3.32Å; D74-D76 WeakPolarHBondContact OD1-CA 3.25Å; D74-D76 VanDerWaalsContact OD1-CB 3.3Å; D74-D76 WeakPolarHBondContact OD1-CB 3.41Å; D74-D76 PolarHBondContact OD1-N 2.94Å; D76-L78 VanDerWaalsContact C-N 3.3Å; D76-L78 PolarHBondContact O-N 3.4Å; D76-L78 VanDerWaalsContact O-N 3.11Å; D76-Y79 PolarHBondContact O-N 3.41Å; D76-Q80 HydrophobicContact CB-CG 4.1Å; D76-Q80 WeakPolarHBondContact O-CG 3.44Å; D76-Q80 PolarHBondContact O-N 3.17Å; D76-V121 HydrophobicContact CB-CG1 3.95Å; D76-R125 IonicContact OD1-CZ 3.76Å; D76-R125 IonicContact OD1-NE 2.67Å; D76-R125 PolarHBondContact OD1-NE 3.29Å; D76-R125 IonicContact OD1-NH2 2.65Å; D76-R125 PolarHBondContact OD1-NH2 3.44Å
77	C	95.3	Very high	94.6	Very high	10 Å²	10	33.8 Å²	33.8	7%	0.068	18%	0.183	C	C	.	.	H	α-helix	trans	-48	-44.5	-172.6	61.7	0	0	0	0	114.6	V71 D74 Y79 Q80 S81 H223	V71-C77 HydrophobicContact CG2-CB 4.07Å; D74-C77 PolarHBondContact O-N 2.92Å; D74-C77 PolarHBondContact OD1-N 3.12Å; C77-Y79 PolarHBondContact O-N 3.33Å; C77-Q80 PolarHBondContact O-N 3.13Å; C77-S81 WeakPolarHBondContact O-CB 3.17Å; C77-S81 PolarHBondContact O-N 2.84Å; C77-S81 PolarHBondContact O-OG 3.41Å; C77-H223 WeakPolarHBondContact CB-CE1 3.32Å; C77-H223 WeakPolarHBondContact CB-ND1 3.46Å
78	L	97.2	Very high	94.5	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-57.6	-47.7	175.6	172.6	60.8	0	0	0	112.7	D76 Q80 S81 I82 E175 I176 I211 Y224	D76-L78 VanDerWaalsContact C-N 3.3Å; D76-L78 PolarHBondContact O-N 3.4Å; D76-L78 VanDerWaalsContact O-N 3.11Å; L78-Q80 VanDerWaalsContact C-N 3.34Å; L78-S81 PolarHBondContact O-N 3.24Å; L78-S81 PolarHBondContact O-OG 3.29Å; L78-I82 HydrophobicContact CD1-CD1 3.86Å; L78-I82 HydrophobicContact CD1-CG1 4.45Å; L78-I82 HydrophobicContact CG-CD1 4.32Å; L78-I82 WeakPolarHBondContact O-CG1 3.41Å; L78-I82 PolarHBondContact O-N 3.2Å; L78-I82 VanDerWaalsContact O-N 3.12Å; L78-E175 HydrophobicContact CD2-CB 4Å; L78-I176 HydrophobicContact CD1-CD1 3.77Å; L78-I176 HydrophobicContact CD1-CG1 3.6Å; L78-I176 HydrophobicContact CD2-CG1 4.1Å; L78-I176 HydrophobicContact CG-CG1 4.44Å; L78-I211 HydrophobicContact CD1-CD1 3.91Å; L78-Y224 HydrophobicContact CB-CD2 3.86Å; L78-Y224 HydrophobicContact CB-CE2 4.39Å; L78-Y224 HydrophobicContact CB-CG 4.34Å; L78-Y224 HydrophobicContact CD1-CD1 4.22Å; L78-Y224 HydrophobicContact CD1-CD2 4.05Å; L78-Y224 HydrophobicContact CD1-CE1 4.36Å; L78-Y224 HydrophobicContact CD1-CE2 4.2Å; L78-Y224 HydrophobicContact CD1-CG 4.05Å; L78-Y224 HydrophobicContact CG-CD2 4.5Å
79	Y	97.3	Very high	94.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-73.2	-32.4	-178.8	-56.4	-80	0	0	0	111	D76 C77 G83 L124 R125 A128 I164 E175 L179	D76-Y79 PolarHBondContact O-N 3.41Å; C77-Y79 PolarHBondContact O-N 3.33Å; Y79-G83 WeakPolarHBondContact O-CA 3.39Å; Y79-G83 PolarHBondContact O-N 2.94Å; Y79-L124 HydrophobicContact CD1-CB 3.73Å; Y79-L124 WeakPolarHBondContact O-CD1 3.39Å; Y79-R125 HydrophobicContact CD1-CG 3.93Å; Y79-R125 HydrophobicContact CD2-CG 3.9Å; Y79-R125 HydrophobicContact CE1-CB 4.45Å; Y79-R125 HydrophobicContact CE1-CG 3.79Å; Y79-R125 HydrophobicContact CE2-CG 3.78Å; Y79-R125 VanDerWaalsContact CE2-NH1 3.29Å; Y79-R125 HydrophobicContact CG-CG 3.97Å; Y79-A128 HydrophobicContact CE1-CB 4.39Å; Y79-I164 WeakPolarHBondContact OH-CG2 3.36Å; Y79-E175 WeakPolarHBondContact OH-CG 3.26Å; Y79-L179 HydrophobicContact CD1-CD1 4.06Å; Y79-L179 HydrophobicContact CE1-CD1 4.03Å
80	Q	97.1	Very high	93.9	Very high	28 Å²	28	41.1 Å²	41.1	13%	0.131	21%	0.213	C	C	.	.	H	α-helix	trans	-67.6	-41.7	173.5	-67.9	-165.3	81.2	0	0	111.5	V71 P72 D74 D76 C77 L78 G83 H84 V121	V71-Q80 HydrophobicContact CB-CB 3.94Å; V71-Q80 HydrophobicContact CG1-CB 4.18Å; V71-Q80 HydrophobicContact CG2-CB 4.17Å; P72-Q80 VanDerWaalsContact CD-OE1 3.3Å; D74-Q80 PolarHBondContact OD1-NE2 2.9Å; D74-Q80 PolarHBondContact OD2-NE2 3.45Å; D76-Q80 HydrophobicContact CB-CG 4.1Å; D76-Q80 WeakPolarHBondContact O-CG 3.44Å; D76-Q80 PolarHBondContact O-N 3.17Å; C77-Q80 PolarHBondContact O-N 3.13Å; L78-Q80 VanDerWaalsContact C-N 3.34Å; Q80-G83 PolarHBondContact O-N 3.36Å; Q80-H84 VanDerWaalsContact O-CB 3.27Å; Q80-H84 WeakPolarHBondContact O-CB 3.36Å; Q80-H84 PolarHBondContact O-N 2.86Å; Q80-V121 HydrophobicContact CG-CG2 3.71Å
81	S	98.2	Very high	93.7	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66	-42.5	178.9	61.4	0	0	0	0	111.9	C77 L78 Q85 N225 S226	C77-S81 WeakPolarHBondContact O-CB 3.17Å; C77-S81 PolarHBondContact O-N 2.84Å; C77-S81 PolarHBondContact O-OG 3.41Å; L78-S81 PolarHBondContact O-N 3.24Å; L78-S81 PolarHBondContact O-OG 3.29Å; S81-Q85 WeakPolarHBondContact O-CG 3.33Å; S81-Q85 PolarHBondContact O-N 3.36Å; S81-Q85 VanDerWaalsContact O-N 3.12Å; S81-N225 VanDerWaalsContact CB-C 3.49Å; S81-N225 VanDerWaalsContact CB-O 3.31Å; S81-N225 WeakPolarHBondContact CB-O 3.32Å; S81-S226 PolarHBondContact O-OG 3.42Å
82	I	97.9	Very high	93.3	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-67.7	-47.4	174	-68.5	172.2	0	0	0	110.4	L78 H84 Q85 L86 L124 L179 L183 I187 I209 I211	L78-I82 HydrophobicContact CD1-CD1 3.86Å; L78-I82 HydrophobicContact CD1-CG1 4.45Å; L78-I82 HydrophobicContact CG-CD1 4.32Å; L78-I82 WeakPolarHBondContact O-CG1 3.41Å; L78-I82 PolarHBondContact O-N 3.2Å; L78-I82 VanDerWaalsContact O-N 3.12Å; I82-H84 VanDerWaalsContact C-N 3.27Å; I82-H84 PolarHBondContact O-N 2.9Å; I82-Q85 WeakPolarHBondContact O-CA 3.41Å; I82-Q85 WeakPolarHBondContact O-CB 3.17Å; I82-Q85 PolarHBondContact O-N 3.41Å; I82-L86 HydrophobicContact CG2-CD1 4.14Å; I82-L86 HydrophobicContact CG2-CG 4.25Å; I82-L86 WeakPolarHBondContact O-CG 3.48Å; I82-L86 PolarHBondContact O-N 2.82Å; I82-L124 HydrophobicContact CB-CD1 4.25Å; I82-L124 HydrophobicContact CG2-CD1 3.88Å; I82-L124 HydrophobicContact CG2-CD2 4.38Å; I82-L179 HydrophobicContact CD1-CD1 3.55Å; I82-L183 HydrophobicContact CG2-CD1 4.1Å; I82-I187 HydrophobicContact CD1-CD1 4.09Å; I82-I209 HydrophobicContact CG2-CD1 4.03Å; I82-I211 HydrophobicContact CG1-CD1 4.36Å; I82-I211 HydrophobicContact CG1-CG2 4.14Å
83	G	96.3	Very high	92.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-38.4	178.8	0	0	0	0	0	112.9	Y79 Q80 L86 K87 M117	Y79-G83 WeakPolarHBondContact O-CA 3.39Å; Y79-G83 PolarHBondContact O-N 2.94Å; Q80-G83 PolarHBondContact O-N 3.36Å; G83-L86 PolarHBondContact O-N 3.4Å; G83-K87 PolarHBondContact O-N 2.83Å; G83-K87 VanDerWaalsContact O-N 3.13Å; G83-M117 WeakPolarHBondContact O-CE 3.17Å
84	H	97.3	Very high	92.3	Very high	25 Å²	25	38.1 Å²	38.1	12%	0.116	19%	0.189	C	C	.	.	H	α-helix	trans	-63.4	-47	171.2	176.5	-97	0	0	0	111.7	F69 Q80 I82 L86 K87 I88 S226 L228	F69-H84 AromaticContact CD1-CD2 3.73Å; F69-H84 AromaticContact CD1-CE1 3.6Å; F69-H84 AromaticContact CD1-CG 3.74Å; F69-H84 AromaticContact CD1-ND1 3.67Å; F69-H84 AromaticContact CD1-NE2 3.66Å; F69-H84 AromaticContact CD2-CE1 3.95Å; F69-H84 AromaticContact CD2-NE2 3.71Å; F69-H84 HydrophobicContact CE1-CB 4.33Å; F69-H84 AromaticContact CE1-CD2 3.34Å; F69-H84 WeakPolarHBondContact CE1-CD2 3.31Å; F69-H84 AromaticContact CE1-CG 3.66Å; F69-H84 AromaticContact CE1-NE2 3.61Å; F69-H84 AromaticContact CE2-NE2 3.66Å; F69-H84 AromaticContact CG-CE1 3.55Å; F69-H84 AromaticContact CG-NE2 3.7Å; F69-H84 AromaticContact CZ-CD2 3.56Å; F69-H84 AromaticContact CZ-NE2 3.61Å; Q80-H84 VanDerWaalsContact O-CB 3.27Å; Q80-H84 WeakPolarHBondContact O-CB 3.36Å; Q80-H84 PolarHBondContact O-N 2.86Å; I82-H84 VanDerWaalsContact C-N 3.27Å; I82-H84 PolarHBondContact O-N 2.9Å; H84-L86 VanDerWaalsContact C-N 3.33Å; H84-L86 PolarHBondContact O-N 2.81Å; H84-K87 PolarHBondContact O-N 2.99Å; H84-I88 WeakPolarHBondContact O-CG2 3.47Å; H84-I88 PolarHBondContact O-N 2.83Å; H84-S226 WeakPolarHBondContact ND1-CB 3.46Å; H84-S226 PolarHBondContact ND1-OG 2.83Å; H84-L228 VanDerWaalsContact CE1-CD2 3.46Å; H84-L228 WeakPolarHBondContact CE1-CD2 3.48Å
85	Q	97.8	Very high	92.1	Very high	4 Å²	4	40 Å²	40	2%	0.019	20%	0.196	C	C	.	.	H	α-helix	trans	-58.1	-43	175.5	-76.1	-55.7	-68.7	0	0	112.7	S81 I82 K87 I88 R89 I209 T210 I211 S226 C227	S81-Q85 WeakPolarHBondContact O-CG 3.33Å; S81-Q85 PolarHBondContact O-N 3.36Å; S81-Q85 VanDerWaalsContact O-N 3.12Å; I82-Q85 WeakPolarHBondContact O-CA 3.41Å; I82-Q85 WeakPolarHBondContact O-CB 3.17Å; I82-Q85 PolarHBondContact O-N 3.41Å; Q85-K87 VanDerWaalsContact C-N 3.32Å; Q85-K87 PolarHBondContact O-N 3.06Å; Q85-I88 WeakPolarHBondContact O-CG1 3.4Å; Q85-I88 PolarHBondContact O-N 3.23Å; Q85-R89 WeakPolarHBondContact O-CB 3.45Å; Q85-R89 VanDerWaalsContact O-CG 3.26Å; Q85-R89 WeakPolarHBondContact O-CG 3.39Å; Q85-R89 PolarHBondContact O-N 2.7Å; Q85-R89 VanDerWaalsContact O-N 3.1Å; Q85-I209 HydrophobicContact CB-CB 3.81Å; Q85-I209 HydrophobicContact CB-CD1 4.05Å; Q85-I209 HydrophobicContact CB-CG1 4.43Å; Q85-I209 HydrophobicContact CB-CG2 4.13Å; Q85-I209 HydrophobicContact CG-CB 4.07Å; Q85-T210 WeakPolarHBondContact CG-O 3.48Å; Q85-T210 PolarHBondContact NE2-O 3.23Å; Q85-T210 PolarHBondContact OE1-O 2.91Å; Q85-I211 HydrophobicContact CG-CG2 4.08Å; Q85-S226 WeakPolarHBondContact CG-OG 3.41Å; Q85-S226 PolarHBondContact NE2-OG 3.19Å; Q85-C227 PolarHBondContact NE2-O 2.82Å
86	L	95.3	Very high	91.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.9	-41.7	177.7	-67.5	178.7	0	0	0	111.5	I82 G83 H84 R89 N90 Y91 L93 L96 L124 L183 L185 I209	I82-L86 HydrophobicContact CG2-CD1 4.14Å; I82-L86 HydrophobicContact CG2-CG 4.25Å; I82-L86 WeakPolarHBondContact O-CG 3.48Å; I82-L86 PolarHBondContact O-N 2.82Å; G83-L86 PolarHBondContact O-N 3.4Å; H84-L86 VanDerWaalsContact C-N 3.33Å; H84-L86 PolarHBondContact O-N 2.81Å; L86-R89 PolarHBondContact O-N 3.18Å; L86-N90 PolarHBondContact O-N 3.48Å; L86-Y91 HydrophobicContact CD2-CD1 4.25Å; L86-Y91 HydrophobicContact CD2-CD2 3.86Å; L86-Y91 HydrophobicContact CD2-CE2 4.45Å; L86-Y91 HydrophobicContact CD2-CG 3.71Å; L86-Y91 WeakPolarHBondContact O-CB 3.35Å; L86-Y91 PolarHBondContact O-N 3.49Å; L86-L93 HydrophobicContact CB-CD2 4.22Å; L86-L93 HydrophobicContact CD1-CD2 4.21Å; L86-L96 HydrophobicContact CD1-CD1 4.4Å; L86-L124 HydrophobicContact CD1-CD1 4.42Å; L86-L124 HydrophobicContact CD1-CD2 3.92Å; L86-L183 HydrophobicContact CD1-CD1 4.27Å; L86-L183 HydrophobicContact CD1-CD2 3.98Å; L86-L183 HydrophobicContact CD2-CD1 4.23Å; L86-L183 HydrophobicContact CD2-CD2 4.34Å; L86-L185 HydrophobicContact CD2-CD1 3.86Å; L86-I209 HydrophobicContact CD2-CD1 4.4Å
87	K	93.9	Very high	90.3	Very high	78 Å²	78	39.5 Å²	39.5	34%	0.339	19%	0.189	S	C	.	.	H	α-helix	trans	-64.4	-47.2	176.7	-79	-161.5	177.6	167.6	0	113	G83 H84 Q85 R89 N90 L93 Q115 M117	G83-K87 PolarHBondContact O-N 2.83Å; G83-K87 VanDerWaalsContact O-N 3.13Å; H84-K87 PolarHBondContact O-N 2.99Å; Q85-K87 VanDerWaalsContact C-N 3.32Å; Q85-K87 PolarHBondContact O-N 3.06Å; K87-R89 PolarHBondContact O-N 2.86Å; K87-N90 PolarHBondContact O-N 3.12Å; K87-L93 HydrophobicContact CG-CD1 4.44Å; K87-Q115 WeakPolarHBondContact CE-O 3.34Å; K87-Q115 PolarHBondContact NZ-O 2.88Å; K87-M117 HydrophobicContact CD-CE 3.42Å; K87-M117 VanDerWaalsContact CD-CE 3.42Å; K87-M117 HydrophobicContact CG-CE 3.7Å
88	I	93.7	Very high	89.1	Confident	69 Å²	69	40.7 Å²	40.7	35%	0.354	20%	0.203	S	C	.	.	H	α-helix	trans	-67.7	-23.2	-178.2	68.2	171.9	0	0	0	112.3	H84 Q85 N90 L228	H84-I88 WeakPolarHBondContact O-CG2 3.47Å; H84-I88 PolarHBondContact O-N 2.83Å; Q85-I88 WeakPolarHBondContact O-CG1 3.4Å; Q85-I88 PolarHBondContact O-N 3.23Å; I88-N90 VanDerWaalsContact C-N 3.31Å; I88-L228 HydrophobicContact CD1-CD2 4.03Å; I88-L228 HydrophobicContact CG2-CD2 3.78Å
89	R	91.2	Very high	87.8	Confident	116 Å²	116	42.9 Å²	42.9	44%	0.438	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	0.7	173.6	-66	-64.6	-172.6	123.2	7.5	113.4	Q85 L86 K87 Y91 P208 I209	Q85-R89 WeakPolarHBondContact O-CB 3.45Å; Q85-R89 VanDerWaalsContact O-CG 3.26Å; Q85-R89 WeakPolarHBondContact O-CG 3.39Å; Q85-R89 PolarHBondContact O-N 2.7Å; Q85-R89 VanDerWaalsContact O-N 3.1Å; L86-R89 PolarHBondContact O-N 3.18Å; K87-R89 PolarHBondContact O-N 2.86Å; R89-Y91 PolarHBondContact O-N 3.32Å; R89-P208 PolarHBondContact NH2-O 3.03Å; R89-I209 HydrophobicContact CG-CG2 4.08Å
90	N	90.1	Very high	86.3	Confident	145 Å²	145	42.9 Å²	42.9	78%	0.775	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.9	38	-171.6	-60.3	-51.8	0	0	0	112.6	L86 K87 I88	L86-N90 PolarHBondContact O-N 3.48Å; K87-N90 PolarHBondContact O-N 3.12Å; I88-N90 VanDerWaalsContact C-N 3.31Å
91	Y	90.6	Very high	84.8	Confident	30 Å²	30	47.7 Å²	47.7	12%	0.118	24%	0.235	C	C	.	.			trans	-57.9	135.1	176.4	-172.7	-86.2	0	0	0	109.5	L86 R89 L93 L96 L183 L185	L86-Y91 HydrophobicContact CD2-CD1 4.25Å; L86-Y91 HydrophobicContact CD2-CD2 3.86Å; L86-Y91 HydrophobicContact CD2-CE2 4.45Å; L86-Y91 HydrophobicContact CD2-CG 3.71Å; L86-Y91 WeakPolarHBondContact O-CB 3.35Å; L86-Y91 PolarHBondContact O-N 3.49Å; R89-Y91 PolarHBondContact O-N 3.32Å; Y91-L93 VanDerWaalsContact C-N 3.27Å; Y91-L93 HydrophobicContact CD1-CD2 4.28Å; Y91-L93 PolarHBondContact O-N 3.38Å; Y91-L96 HydrophobicContact CD1-CD1 4.48Å; Y91-L96 HydrophobicContact CD1-CD2 4.49Å; Y91-L96 HydrophobicContact CD1-CG 4.38Å; Y91-L96 HydrophobicContact CE1-CD1 4.19Å; Y91-L96 HydrophobicContact CE1-CD2 3.47Å; Y91-L96 VanDerWaalsContact CE1-CD2 3.47Å; Y91-L96 HydrophobicContact CE1-CG 3.73Å; Y91-L183 HydrophobicContact CE1-CD2 4.32Å; Y91-L183 PolarHBondContact OH-O 3.35Å; Y91-L185 HydrophobicContact CD2-CD1 3.59Å; Y91-L185 HydrophobicContact CE2-CD1 3.56Å; Y91-L185 HydrophobicContact CE2-CG 4.1Å
92	P	87	Confident	83	Confident	41 Å²	41	54.7 Å²	54.7	27%	0.266	27%	0.269	S	S	.	.			trans	-71.8	81.8	-177.7	30.9	-36.6	0	0	0	110.5	H94 E95	P92-H94 PolarHBondContact O-N 2.91Å; P92-E95 HydrophobicContact CB-CB 4.49Å; P92-E95 HydrophobicContact CB-CG 3.88Å; P92-E95 WeakPolarHBondContact CB-OE1 3.18Å; P92-E95 HydrophobicContact CG-CB 4.36Å; P92-E95 HydrophobicContact CG-CG 3.92Å; P92-E95 VanDerWaalsContact CG-OE1 3.25Å; P92-E95 WeakPolarHBondContact CG-OE1 3.42Å; P92-E95 WeakPolarHBondContact CG-OE2 3.42Å; P92-E95 VanDerWaalsContact O-CB 3.3Å; P92-E95 WeakPolarHBondContact O-CB 3.45Å; P92-E95 PolarHBondContact O-N 2.91Å
93	L	79.3	Confident	81.4	Confident	18 Å²	18	56 Å²	56	9%	0.094	28%	0.279	C	S	.	.	H	α-helix	trans	-57.3	-25.1	-175.9	-67.8	174.7	0	0	0	113.2	L86 K87 Y91 E95 L96 V120	L86-L93 HydrophobicContact CB-CD2 4.22Å; L86-L93 HydrophobicContact CD1-CD2 4.21Å; K87-L93 HydrophobicContact CG-CD1 4.44Å; Y91-L93 VanDerWaalsContact C-N 3.27Å; Y91-L93 HydrophobicContact CD1-CD2 4.28Å; Y91-L93 PolarHBondContact O-N 3.38Å; L93-E95 PolarHBondContact O-N 2.81Å; L93-L96 HydrophobicContact CD2-CD1 3.69Å; L93-L96 VanDerWaalsContact O-CB 3.29Å; L93-L96 WeakPolarHBondContact O-CB 3.33Å; L93-L96 PolarHBondContact O-N 3.46Å; L93-L96 VanDerWaalsContact O-N 3.16Å; L93-V120 HydrophobicContact CD1-CG2 3.67Å; L93-V120 HydrophobicContact CD2-CG2 4.34Å
94	H	76.7	Confident	79.7	Confident	126 Å²	126	59.3 Å²	59.3	58%	0.583	30%	0.297	S	S	*	.	H	α-helix	trans	-65	-26.9	173.5	63.6	61.5	0	0	0	112.7	P92 L96 L97 G98	P92-H94 PolarHBondContact O-N 2.91Å; H94-L96 VanDerWaalsContact C-N 3.26Å; H94-L96 PolarHBondContact O-N 3.11Å; H94-L97 WeakPolarHBondContact O-CB 3.42Å; H94-L97 PolarHBondContact O-N 3.46Å; H94-G98 PolarHBondContact O-N 3.36Å
95	E	80.7	Confident	77.7	Confident	102 Å²	102	62.6 Å²	62.6	48%	0.477	32%	0.32	S	S	.	.	H	α-helix	trans	-69.2	-27.8	174.8	-66.5	178.7	-164.5	0	0	111.4	P92 L93 L97 G98 K99	P92-E95 HydrophobicContact CB-CB 4.49Å; P92-E95 HydrophobicContact CB-CG 3.88Å; P92-E95 WeakPolarHBondContact CB-OE1 3.18Å; P92-E95 HydrophobicContact CG-CB 4.36Å; P92-E95 HydrophobicContact CG-CG 3.92Å; P92-E95 VanDerWaalsContact CG-OE1 3.25Å; P92-E95 WeakPolarHBondContact CG-OE1 3.42Å; P92-E95 WeakPolarHBondContact CG-OE2 3.42Å; P92-E95 VanDerWaalsContact O-CB 3.3Å; P92-E95 WeakPolarHBondContact O-CB 3.45Å; P92-E95 PolarHBondContact O-N 2.91Å; L93-E95 PolarHBondContact O-N 2.81Å; E95-L97 VanDerWaalsContact C-N 3.27Å; E95-L97 PolarHBondContact O-N 3.19Å; E95-G98 PolarHBondContact O-N 3.5Å; E95-K99 PolarHBondContact O-N 3.33Å
96	L	74.3	Confident	76	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.005	35%	0.353	C	S	.	.	H	α-helix	trans	-63.3	-36.9	172.8	-57.6	-177.1	0	0	0	111.3	L86 Y91 L93 H94 G98 K99 I100 I123 L127 L183	L86-L96 HydrophobicContact CD1-CD1 4.4Å; Y91-L96 HydrophobicContact CD1-CD1 4.48Å; Y91-L96 HydrophobicContact CD1-CD2 4.49Å; Y91-L96 HydrophobicContact CD1-CG 4.38Å; Y91-L96 HydrophobicContact CE1-CD1 4.19Å; Y91-L96 HydrophobicContact CE1-CD2 3.47Å; Y91-L96 VanDerWaalsContact CE1-CD2 3.47Å; Y91-L96 HydrophobicContact CE1-CG 3.73Å; L93-L96 HydrophobicContact CD2-CD1 3.69Å; L93-L96 VanDerWaalsContact O-CB 3.29Å; L93-L96 WeakPolarHBondContact O-CB 3.33Å; L93-L96 PolarHBondContact O-N 3.46Å; L93-L96 VanDerWaalsContact O-N 3.16Å; H94-L96 VanDerWaalsContact C-N 3.26Å; H94-L96 PolarHBondContact O-N 3.11Å; L96-G98 VanDerWaalsContact C-N 3.34Å; L96-K99 HydrophobicContact CD2-CD 4.48Å; L96-K99 WeakPolarHBondContact O-CB 3.31Å; L96-K99 PolarHBondContact O-N 3.43Å; L96-K99 VanDerWaalsContact O-N 3.16Å; L96-I100 WeakPolarHBondContact O-CG1 3.33Å; L96-I100 PolarHBondContact O-N 2.81Å; L96-I100 VanDerWaalsContact O-N 3.17Å; L96-I123 HydrophobicContact CB-CG2 3.84Å; L96-I123 HydrophobicContact CD1-CG2 4.09Å; L96-L127 HydrophobicContact CB-CD1 4.22Å; L96-L127 HydrophobicContact CD1-CD1 4.49Å; L96-L127 HydrophobicContact CD2-CD1 4Å; L96-L127 HydrophobicContact CG-CD1 4.47Å; L96-L183 HydrophobicContact CD1-CD2 4.16Å; L96-L183 HydrophobicContact CD2-CD2 3.49Å; L96-L183 VanDerWaalsContact CD2-CD2 3.49Å; L96-L183 HydrophobicContact CG-CD2 4.47Å
97	L	68.8	Low	74.3	Confident	34 Å²	34	72.3 Å²	72.3	18%	0.178	37%	0.367	C	S	.	.	H	α-helix	trans	-63.1	-41.8	176.8	-62.4	174.3	0	0	0	111.2	H94 E95 K99 I100 E101 I111 T113 I123	H94-L97 WeakPolarHBondContact O-CB 3.42Å; H94-L97 PolarHBondContact O-N 3.46Å; E95-L97 VanDerWaalsContact C-N 3.27Å; E95-L97 PolarHBondContact O-N 3.19Å; L97-K99 PolarHBondContact O-N 2.86Å; L97-I100 HydrophobicContact CD2-CD1 4.14Å; L97-I100 WeakPolarHBondContact O-CA 3.24Å; L97-I100 WeakPolarHBondContact O-CB 3.34Å; L97-I100 PolarHBondContact O-N 3.35Å; L97-E101 PolarHBondContact O-N 2.99Å; L97-E101 VanDerWaalsContact O-N 3.12Å; L97-I111 HydrophobicContact CD2-CG2 3.6Å; L97-T113 HydrophobicContact CD1-CG2 4.09Å; L97-I123 HydrophobicContact CD2-CD1 3.68Å; L97-I123 HydrophobicContact CD2-CG1 4.29Å
98	G	70.6	Confident	72.6	Confident	35 Å²	35	71.3 Å²	71.3	36%	0.361	37%	0.365	S	S	.	.	H	α-helix	trans	-60.5	-33	174.2	0	0	0	0	0	113	H94 E95 L96 I100 E101	H94-G98 PolarHBondContact O-N 3.36Å; E95-G98 PolarHBondContact O-N 3.5Å; L96-G98 VanDerWaalsContact C-N 3.34Å; G98-I100 VanDerWaalsContact C-N 3.34Å; G98-E101 PolarHBondContact O-N 3.4Å
99	K	70.1	Confident	70.9	Confident	48 Å²	48	75.1 Å²	75.1	21%	0.209	39%	0.387	C	S	.	.	H	α-helix	trans	-70.4	-28.5	173.4	-64.7	176	-173.2	-117.4	0	112.9	E95 L96 L97 L127 M182	E95-K99 PolarHBondContact O-N 3.33Å; L96-K99 HydrophobicContact CD2-CD 4.48Å; L96-K99 WeakPolarHBondContact O-CB 3.31Å; L96-K99 PolarHBondContact O-N 3.43Å; L96-K99 VanDerWaalsContact O-N 3.16Å; L97-K99 PolarHBondContact O-N 2.86Å; K99-L127 HydrophobicContact CB-CD2 4.18Å; K99-M182 HydrophobicContact CB-CE 4.41Å; K99-M182 VanDerWaalsContact CD-O 3.32Å; K99-M182 WeakPolarHBondContact CD-O 3.35Å; K99-M182 WeakPolarHBondContact CE-O 3.3Å; K99-M182 PolarHBondContact NZ-O 3.47Å
100	I	66.2	Low	69.7	Low	1 Å²	1	75 Å²	75	1%	0.005	40%	0.395	C	S	.	.	H	α-helix	trans	-73.6	-34.7	175.3	-61.5	169.1	0	0	0	111.2	L96 L97 G98 M102 S103 L108 I111 I123 L127	L96-I100 WeakPolarHBondContact O-CG1 3.33Å; L96-I100 PolarHBondContact O-N 2.81Å; L96-I100 VanDerWaalsContact O-N 3.17Å; L97-I100 HydrophobicContact CD2-CD1 4.14Å; L97-I100 WeakPolarHBondContact O-CA 3.24Å; L97-I100 WeakPolarHBondContact O-CB 3.34Å; L97-I100 PolarHBondContact O-N 3.35Å; G98-I100 VanDerWaalsContact C-N 3.34Å; I100-M102 PolarHBondContact O-N 3.16Å; I100-M102 VanDerWaalsContact O-N 3.07Å; I100-S103 PolarHBondContact O-N 2.65Å; I100-S103 PolarHBondContact O-OG 2.8Å; I100-L108 HydrophobicContact CG2-CD1 4.13Å; I100-I111 HydrophobicContact CD1-CD1 3.77Å; I100-I111 HydrophobicContact CG2-CD1 4.27Å; I100-I123 HydrophobicContact CD1-CB 4.25Å; I100-I123 HydrophobicContact CD1-CG1 3.89Å; I100-I123 HydrophobicContact CD1-CG2 3.81Å; I100-L127 HydrophobicContact CG1-CD2 3.9Å
101	E	64.7	Low	68.4	Low	129 Å²	129	69 Å²	69	60%	0.603	36%	0.362	S	S	*	.	H	α-helix	trans	-58.9	-25.1	176	-71.8	-178.8	169	0	0	112.3	L97 G98 L108	L97-E101 PolarHBondContact O-N 2.99Å; L97-E101 VanDerWaalsContact O-N 3.12Å; G98-E101 PolarHBondContact O-N 3.4Å; E101-L108 HydrophobicContact CG-CD2 4.46Å
102	M	60.7	Low	67	Low	146 Å²	146	72 Å²	72	72%	0.719	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-6.6	176.2	-58.7	-177.6	67.7	0	0	114.6	I100 Y130	I100-M102 PolarHBondContact O-N 3.16Å; I100-M102 VanDerWaalsContact O-N 3.07Å; M102-Y130 PolarHBondContact O-OH 2.84Å
103	S	63.9	Low	65.7	Low	29 Å²	29	75.3 Å²	75.3	20%	0.203	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-56.4	-173.4	61.3	0	0	0	0	114.1	I100 H126 Y130	I100-S103 PolarHBondContact O-N 2.65Å; I100-S103 PolarHBondContact O-OG 2.8Å; S103-H126 PolarHBondContact OG-NE2 3.01Å; S103-Y130 VanDerWaalsContact CA-CE2 3.43Å
104	N	60.8	Low	65.3	Low	69 Å²	69	77.4 Å²	77.4	37%	0.369	41%	0.411	S	S	.	.			trans	-168.2	110.9	177.7	-173.5	-10.1	0	0	0	110.9	E106 N107	N104-E106 VanDerWaalsContact C-N 3.28Å; N104-E106 PolarHBondContact O-N 3.24Å; N104-E106 PolarHBondContact OD1-N 2.98Å; N104-N107 PolarHBondContact O-N 2.89Å
105	P	55.9	Low	65.2	Low	94 Å²	94	77.7 Å²	77.7	61%	0.61	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-61.8	-27.7	-176.9	-22.6	32.6	0	0	0	115.1	N107 L108	P105-N107 VanDerWaalsContact C-N 3.26Å; P105-N107 PolarHBondContact O-N 2.77Å; P105-L108 VanDerWaalsContact O-CB 3.25Å; P105-L108 WeakPolarHBondContact O-CB 3.31Å; P105-L108 PolarHBondContact O-N 3.45Å; P105-L108 VanDerWaalsContact O-N 3.07Å
106	E	61.1	Low	65.6	Low	153 Å²	153	75.9 Å²	75.9	72%	0.715	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-66.9	-27.1	-173.9	-64.2	-171.5	173.6	0	0	112.9	N104 L108	N104-E106 VanDerWaalsContact C-N 3.28Å; N104-E106 PolarHBondContact O-N 3.24Å; N104-E106 PolarHBondContact OD1-N 2.98Å; E106-L108 VanDerWaalsContact C-N 3.31Å
107	N	59.1	Low	66.4	Low	54 Å²	54	78.4 Å²	78.4	29%	0.289	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-77.2	-14.5	175.6	-81	-16.9	0	0	0	113.5	N104 P105 N109 D110 E165	N104-N107 PolarHBondContact O-N 2.89Å; P105-N107 VanDerWaalsContact C-N 3.26Å; P105-N107 PolarHBondContact O-N 2.77Å; N107-N109 VanDerWaalsContact C-N 3.3Å; N107-N109 PolarHBondContact O-N 3.35Å; N107-D110 PolarHBondContact O-N 2.93Å; N107-E165 PolarHBondContact ND2-OE1 3.44Å
108	L	59.8	Low	67.4	Low	58 Å²	58	85.3 Å²	85.3	30%	0.304	45%	0.45	S	S	.	.	G	3₁₀ helix	trans	-69.2	-29.7	-179	-161.2	76.4	0	0	0	112.1	I100 E101 P105 E106 D110 I111	I100-L108 HydrophobicContact CG2-CD1 4.13Å; E101-L108 HydrophobicContact CG-CD2 4.46Å; P105-L108 VanDerWaalsContact O-CB 3.25Å; P105-L108 WeakPolarHBondContact O-CB 3.31Å; P105-L108 PolarHBondContact O-N 3.45Å; P105-L108 VanDerWaalsContact O-N 3.07Å; E106-L108 VanDerWaalsContact C-N 3.31Å; L108-D110 PolarHBondContact O-N 3.31Å; L108-I111 PolarHBondContact O-N 3.44Å
109	N	58.4	Low	68.2	Low	149 Å²	149	84.4 Å²	84.4	80%	0.797	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-57.4	-20.7	179.1	-68.6	-32.4	0	0	0	113.6	N107	N107-N109 VanDerWaalsContact C-N 3.3Å; N107-N109 PolarHBondContact O-N 3.35Å
110	D	65.4	Low	69.2	Low	114 Å²	114	82.3 Å²	82.3	61%	0.61	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-103.2	-2.9	-171	-127.8	43	0	0	0	111.9	N107 L108 K122	N107-D110 PolarHBondContact O-N 2.93Å; L108-D110 PolarHBondContact O-N 3.31Å; D110-K122 VanDerWaalsContact CB-NZ 3.28Å; D110-K122 VanDerWaalsContact CG-NZ 3.34Å; D110-K122 PolarHBondContact O-NZ 3.29Å; D110-K122 IonicContact OD2-NZ 2.77Å; D110-K122 PolarHBondContact OD2-NZ 3.27Å
111	I	61.9	Low	70.5	Confident	17 Å²	17	82.8 Å²	82.8	9%	0.087	43%	0.43	C	S	.	.			trans	-104.9	102.9	-178.2	-67	176.5	0	0	0	107.2	L97 I100 L108 I123	L97-I111 HydrophobicContact CD2-CG2 3.6Å; I100-I111 HydrophobicContact CD1-CD1 3.77Å; I100-I111 HydrophobicContact CG2-CD1 4.27Å; L108-I111 PolarHBondContact O-N 3.44Å; I111-I123 HydrophobicContact CD1-CG1 4.5Å; I111-I123 HydrophobicContact CG2-CD1 4.37Å; I111-I123 HydrophobicContact CG2-CG1 4.32Å
112	N	62.1	Low	71.8	Confident	94 Å²	94	80.1 Å²	80.1	50%	0.503	42%	0.417	S	S	.	.			trans	-68.3	145.9	166.7	-169.1	7.9	0	0	0	108.4	D114 Q119	N112-D114 PolarHBondContact ND2-OD2 3.48Å; N112-D114 PolarHBondContact O-N 3Å; N112-Q119 WeakPolarHBondContact O-CG 3.37Å
113	T	59	Low	73.2	Confident	111 Å²	111	73.7 Å²	73.7	68%	0.681	39%	0.385	S	S	*	.			trans	-80.5	11.3	179	52.8	0	0	0	0	113.1	L97	L97-T113 HydrophobicContact CD1-CG2 4.09Å
114	D	72.1	Confident	74.6	Confident	61 Å²	61	72.3 Å²	72.3	33%	0.326	38%	0.375	S	S	.	.			trans	-67	140.4	174.7	71.7	49.4	0	0	0	111.3	N112 T116 Q119	N112-D114 PolarHBondContact ND2-OD2 3.48Å; N112-D114 PolarHBondContact O-N 3Å; D114-T116 HydrophobicContact CB-CG2 4.19Å; D114-T116 PolarHBondContact O-N 3.42Å; D114-T116 WeakPolarHBondContact OD1-CB 3.47Å; D114-T116 WeakPolarHBondContact OD1-CG2 3.42Å; D114-T116 PolarHBondContact OD1-N 3.27Å; D114-T116 PolarHBondContact OD1-OG1 3.17Å; D114-Q119 WeakPolarHBondContact O-CB 3.3Å; D114-Q119 WeakPolarHBondContact O-CG 3.32Å
115	Q	72.8	Confident	76.2	Confident	133 Å²	133	69.4 Å²	69.4	62%	0.621	36%	0.359	S	S	*	.			trans	-81	28.4	179.2	-64.9	-175.8	-24.6	0	0	111.8	K87	K87-Q115 WeakPolarHBondContact CE-O 3.34Å; K87-Q115 PolarHBondContact NZ-O 2.88Å
116	T	89.6	Confident	77.9	Confident	64 Å²	64	65.5 Å²	65.5	39%	0.393	33%	0.333	S	S	.	.			trans	-68.5	153.7	179.7	67.6	0	0	0	0	110.9	D114 K118 Q119 V120	D114-T116 HydrophobicContact CB-CG2 4.19Å; D114-T116 PolarHBondContact O-N 3.42Å; D114-T116 WeakPolarHBondContact OD1-CB 3.47Å; D114-T116 WeakPolarHBondContact OD1-CG2 3.42Å; D114-T116 PolarHBondContact OD1-N 3.27Å; D114-T116 PolarHBondContact OD1-OG1 3.17Å; T116-K118 VanDerWaalsContact C-N 3.25Å; T116-K118 PolarHBondContact O-N 3.35Å; T116-Q119 PolarHBondContact O-N 3.35Å; T116-Q119 WeakPolarHBondContact OG1-CB 3.35Å; T116-Q119 PolarHBondContact OG1-N 3.2Å; T116-V120 WeakPolarHBondContact O-CG2 3.42Å; T116-V120 PolarHBondContact O-N 2.87Å
117	M	90.9	Very high	79.4	Confident	53 Å²	53	58.2 Å²	58.2	26%	0.261	30%	0.299	S	S	.	.	H	α-helix	trans	-60.4	-37	176.3	-84.6	-71.3	97.8	0	0	112.5	G83 K87 Q119 V120 V121	G83-M117 WeakPolarHBondContact O-CE 3.17Å; K87-M117 HydrophobicContact CD-CE 3.42Å; K87-M117 VanDerWaalsContact CD-CE 3.42Å; K87-M117 HydrophobicContact CG-CE 3.7Å; M117-Q119 VanDerWaalsContact C-N 3.29Å; M117-Q119 PolarHBondContact O-N 2.83Å; M117-V120 HydrophobicContact CE-CB 3.92Å; M117-V120 HydrophobicContact CE-CG1 4.07Å; M117-V120 HydrophobicContact CE-CG2 3.89Å; M117-V120 PolarHBondContact O-N 3.27Å; M117-V121 WeakPolarHBondContact O-CG2 3.34Å; M117-V121 PolarHBondContact O-N 3.44Å
118	K	91.2	Very high	81.1	Confident	179 Å²	179	55.6 Å²	55.6	78%	0.778	29%	0.285	S	S	*	.	H	α-helix	trans	-58.3	-42.6	175.5	-176.4	176.4	178	-178.7	0	111.9	T116 K122	T116-K118 VanDerWaalsContact C-N 3.25Å; T116-K118 PolarHBondContact O-N 3.35Å; K118-K122 PolarHBondContact O-N 3.02Å; K118-K122 VanDerWaalsContact O-N 3.12Å
119	Q	87.2	Confident	82.8	Confident	16 Å²	16	52.9 Å²	52.9	8%	0.075	27%	0.271	C	S	.	.	H	α-helix	trans	-71.1	-41.1	178.8	-172.1	56.7	46.5	0	0	112.4	N112 D114 T116 M117 V121 K122 I123	N112-Q119 WeakPolarHBondContact O-CG 3.37Å; D114-Q119 WeakPolarHBondContact O-CB 3.3Å; D114-Q119 WeakPolarHBondContact O-CG 3.32Å; T116-Q119 PolarHBondContact O-N 3.35Å; T116-Q119 WeakPolarHBondContact OG1-CB 3.35Å; T116-Q119 PolarHBondContact OG1-N 3.2Å; M117-Q119 VanDerWaalsContact C-N 3.29Å; M117-Q119 PolarHBondContact O-N 2.83Å; Q119-V121 VanDerWaalsContact C-N 3.31Å; Q119-V121 PolarHBondContact O-N 3.35Å; Q119-K122 PolarHBondContact O-N 3.31Å; Q119-I123 HydrophobicContact CG-CD1 4.18Å; Q119-I123 WeakPolarHBondContact O-CG1 3.46Å; Q119-I123 PolarHBondContact O-N 3.42Å
120	V	91	Very high	84.4	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.03	24%	0.24	C	C	.	.	H	α-helix	trans	-58	-45	173.6	173.5	0	0	0	0	111	L93 T116 M117 K122 I123 L124	L93-V120 HydrophobicContact CD1-CG2 3.67Å; L93-V120 HydrophobicContact CD2-CG2 4.34Å; T116-V120 WeakPolarHBondContact O-CG2 3.42Å; T116-V120 PolarHBondContact O-N 2.87Å; M117-V120 HydrophobicContact CE-CB 3.92Å; M117-V120 HydrophobicContact CE-CG1 4.07Å; M117-V120 HydrophobicContact CE-CG2 3.89Å; M117-V120 PolarHBondContact O-N 3.27Å; V120-K122 PolarHBondContact O-N 3.06Å; V120-I123 PolarHBondContact O-N 2.87Å; V120-L124 HydrophobicContact CG1-CD1 3.88Å; V120-L124 HydrophobicContact CG1-CG 4.26Å; V120-L124 VanDerWaalsContact O-CG 3.3Å; V120-L124 WeakPolarHBondContact O-CG 3.25Å; V120-L124 PolarHBondContact O-N 3.19Å
121	V	93.1	Very high	85.8	Confident	10 Å²	10	43.2 Å²	43.2	6%	0.061	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-46.4	175.8	167.2	0	0	0	0	111.4	D76 Q80 M117 Q119 I123 L124 R125	D76-V121 HydrophobicContact CB-CG1 3.95Å; Q80-V121 HydrophobicContact CG-CG2 3.71Å; M117-V121 WeakPolarHBondContact O-CG2 3.34Å; M117-V121 PolarHBondContact O-N 3.44Å; Q119-V121 VanDerWaalsContact C-N 3.31Å; Q119-V121 PolarHBondContact O-N 3.35Å; V121-I123 VanDerWaalsContact C-N 3.33Å; V121-I123 PolarHBondContact O-N 2.85Å; V121-L124 PolarHBondContact O-N 2.87Å; V121-R125 HydrophobicContact CG1-CG 4.5Å; V121-R125 WeakPolarHBondContact O-CB 3.41Å; V121-R125 WeakPolarHBondContact O-CG 3.31Å; V121-R125 PolarHBondContact O-N 3.02Å
122	K	91.3	Very high	87.5	Confident	73 Å²	73	42.4 Å²	42.4	32%	0.317	21%	0.212	S	C	.	.	H	α-helix	trans	-59.2	-43.5	177.8	-171.8	173.6	-177.2	173.2	0	111.8	D110 K118 Q119 V120 H126	D110-K122 VanDerWaalsContact CB-NZ 3.28Å; D110-K122 VanDerWaalsContact CG-NZ 3.34Å; D110-K122 PolarHBondContact O-NZ 3.29Å; D110-K122 IonicContact OD2-NZ 2.77Å; D110-K122 PolarHBondContact OD2-NZ 3.27Å; K118-K122 PolarHBondContact O-N 3.02Å; K118-K122 VanDerWaalsContact O-N 3.12Å; Q119-K122 PolarHBondContact O-N 3.31Å; V120-K122 PolarHBondContact O-N 3.06Å; K122-H126 WeakPolarHBondContact O-CB 3.47Å; K122-H126 PolarHBondContact O-N 2.95Å; K122-H126 VanDerWaalsContact O-N 3.08Å
123	I	90.2	Very high	89	Confident	11 Å²	11	41.4 Å²	41.4	6%	0.056	20%	0.201	C	C	.	.	H	α-helix	trans	-62.4	-49.7	176.4	-70.4	165.5	0	0	0	110.8	L96 L97 I100 I111 Q119 V120 V121 R125 H126 L127	L96-I123 HydrophobicContact CB-CG2 3.84Å; L96-I123 HydrophobicContact CD1-CG2 4.09Å; L97-I123 HydrophobicContact CD2-CD1 3.68Å; L97-I123 HydrophobicContact CD2-CG1 4.29Å; I100-I123 HydrophobicContact CD1-CB 4.25Å; I100-I123 HydrophobicContact CD1-CG1 3.89Å; I100-I123 HydrophobicContact CD1-CG2 3.81Å; I111-I123 HydrophobicContact CD1-CG1 4.5Å; I111-I123 HydrophobicContact CG2-CD1 4.37Å; I111-I123 HydrophobicContact CG2-CG1 4.32Å; Q119-I123 HydrophobicContact CG-CD1 4.18Å; Q119-I123 WeakPolarHBondContact O-CG1 3.46Å; Q119-I123 PolarHBondContact O-N 3.42Å; V120-I123 PolarHBondContact O-N 2.87Å; V121-I123 VanDerWaalsContact C-N 3.33Å; V121-I123 PolarHBondContact O-N 2.85Å; I123-R125 PolarHBondContact O-N 3.3Å; I123-H126 WeakPolarHBondContact O-CB 3.42Å; I123-H126 PolarHBondContact O-N 3.04Å; I123-L127 HydrophobicContact CG2-CD1 3.86Å; I123-L127 HydrophobicContact CG2-CG 4.26Å; I123-L127 WeakPolarHBondContact O-CG 3.34Å; I123-L127 PolarHBondContact O-N 3.1Å
124	L	93.8	Very high	90.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.6	-41.8	-179.1	-66.2	173.1	0	0	0	111.8	Y79 I82 L86 V120 V121 H126 L127 A128 L179 L183	Y79-L124 HydrophobicContact CD1-CB 3.73Å; Y79-L124 WeakPolarHBondContact O-CD1 3.39Å; I82-L124 HydrophobicContact CB-CD1 4.25Å; I82-L124 HydrophobicContact CG2-CD1 3.88Å; I82-L124 HydrophobicContact CG2-CD2 4.38Å; L86-L124 HydrophobicContact CD1-CD1 4.42Å; L86-L124 HydrophobicContact CD1-CD2 3.92Å; V120-L124 HydrophobicContact CG1-CD1 3.88Å; V120-L124 HydrophobicContact CG1-CG 4.26Å; V120-L124 VanDerWaalsContact O-CG 3.3Å; V120-L124 WeakPolarHBondContact O-CG 3.25Å; V120-L124 PolarHBondContact O-N 3.19Å; V121-L124 PolarHBondContact O-N 2.87Å; L124-H126 VanDerWaalsContact C-N 3.34Å; L124-H126 PolarHBondContact O-N 3.14Å; L124-L127 PolarHBondContact O-N 3.33Å; L124-A128 WeakPolarHBondContact O-CB 3.48Å; L124-A128 PolarHBondContact O-N 2.85Å; L124-L179 HydrophobicContact CB-CD2 4.01Å; L124-L179 HydrophobicContact CD2-CD2 3.85Å; L124-L179 WeakPolarHBondContact O-CD2 3.34Å; L124-L183 HydrophobicContact CD2-CD1 4.42Å; L124-L183 HydrophobicContact CD2-CD2 4.2Å
125	R	94.3	Very high	91.9	Very high	9 Å²	9	41.9 Å²	41.9	3%	0.034	19%	0.193	C	C	.	.	H	α-helix	trans	-57.6	-46.6	173.8	-78.5	-174.9	171.3	-69.7	-5.9	112	G75 D76 Y79 V121 I123 A128 S129 I164 T167 T169	G75-R125 PolarHBondContact O-NH2 3.23Å; D76-R125 IonicContact OD1-CZ 3.76Å; D76-R125 IonicContact OD1-NE 2.67Å; D76-R125 PolarHBondContact OD1-NE 3.29Å; D76-R125 IonicContact OD1-NH2 2.65Å; D76-R125 PolarHBondContact OD1-NH2 3.44Å; Y79-R125 HydrophobicContact CD1-CG 3.93Å; Y79-R125 HydrophobicContact CD2-CG 3.9Å; Y79-R125 HydrophobicContact CE1-CB 4.45Å; Y79-R125 HydrophobicContact CE1-CG 3.79Å; Y79-R125 HydrophobicContact CE2-CG 3.78Å; Y79-R125 VanDerWaalsContact CE2-NH1 3.29Å; Y79-R125 HydrophobicContact CG-CG 3.97Å; V121-R125 HydrophobicContact CG1-CG 4.5Å; V121-R125 WeakPolarHBondContact O-CB 3.41Å; V121-R125 WeakPolarHBondContact O-CG 3.31Å; V121-R125 PolarHBondContact O-N 3.02Å; I123-R125 PolarHBondContact O-N 3.3Å; R125-A128 PolarHBondContact O-N 2.8Å; R125-S129 WeakPolarHBondContact O-CB 3.38Å; R125-S129 PolarHBondContact O-N 2.93Å; R125-I164 WeakPolarHBondContact CD-O 3.46Å; R125-I164 WeakPolarHBondContact CG-O 3.43Å; R125-I164 PolarHBondContact NH1-O 2.95Å; R125-T167 PolarHBondContact NE-O 3.27Å; R125-T167 PolarHBondContact NH1-O 3.06Å; R125-T169 PolarHBondContact NH1-O 3.33Å; R125-T169 PolarHBondContact NH2-O 3.49Å
126	H	91.8	Very high	93	Very high	11 Å²	11	38 Å²	38	5%	0.051	18%	0.175	C	C	.	.	H	α-helix	trans	-60.8	-48.4	176.5	177.6	83.5	0	0	0	111.9	S103 K122 I123 L124 A128 S129 Y130 E165	S103-H126 PolarHBondContact OG-NE2 3.01Å; K122-H126 WeakPolarHBondContact O-CB 3.47Å; K122-H126 PolarHBondContact O-N 2.95Å; K122-H126 VanDerWaalsContact O-N 3.08Å; I123-H126 WeakPolarHBondContact O-CB 3.42Å; I123-H126 PolarHBondContact O-N 3.04Å; L124-H126 VanDerWaalsContact C-N 3.34Å; L124-H126 PolarHBondContact O-N 3.14Å; H126-A128 PolarHBondContact O-N 3.21Å; H126-S129 PolarHBondContact O-N 2.63Å; H126-Y130 VanDerWaalsContact O-CB 3.31Å; H126-Y130 WeakPolarHBondContact O-CB 3.38Å; H126-Y130 PolarHBondContact O-N 3.12Å; H126-E165 IonicContact CE1-OE1 3.55Å; H126-E165 IonicContact CG-OE1 3.78Å; H126-E165 IonicContact ND1-OE1 2.72Å; H126-E165 PolarHBondContact ND1-OE1 3.12Å
127	L	92.7	Very high	93.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-41.9	-179.6	-67.1	175	0	0	0	112.2	L96 K99 I100 I123 L124 H131 L179 M182	L96-L127 HydrophobicContact CB-CD1 4.22Å; L96-L127 HydrophobicContact CD1-CD1 4.49Å; L96-L127 HydrophobicContact CD2-CD1 4Å; L96-L127 HydrophobicContact CG-CD1 4.47Å; K99-L127 HydrophobicContact CB-CD2 4.18Å; I100-L127 HydrophobicContact CG1-CD2 3.9Å; I123-L127 HydrophobicContact CG2-CD1 3.86Å; I123-L127 HydrophobicContact CG2-CG 4.26Å; I123-L127 WeakPolarHBondContact O-CG 3.34Å; I123-L127 PolarHBondContact O-N 3.1Å; L124-L127 PolarHBondContact O-N 3.33Å; L127-H131 WeakPolarHBondContact O-CB 3.39Å; L127-H131 PolarHBondContact O-N 2.71Å; L127-L179 HydrophobicContact CB-CD2 4.37Å; L127-M182 HydrophobicContact CB-CB 4.19Å; L127-M182 HydrophobicContact CB-CE 4.4Å; L127-M182 HydrophobicContact CB-CG 4.21Å; L127-M182 HydrophobicContact CD2-CE 3.54Å; L127-M182 HydrophobicContact CG-CE 4.5Å
128	A	95.1	Very high	93.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.5	-53.3	175.6	0	0	0	0	0	110.9	Y79 L124 R125 H126 Y130 H131 I132 I164 A178 L179	Y79-A128 HydrophobicContact CE1-CB 4.39Å; L124-A128 WeakPolarHBondContact O-CB 3.48Å; L124-A128 PolarHBondContact O-N 2.85Å; R125-A128 PolarHBondContact O-N 2.8Å; H126-A128 PolarHBondContact O-N 3.21Å; A128-Y130 PolarHBondContact O-N 2.67Å; A128-H131 PolarHBondContact O-N 3.06Å; A128-I132 WeakPolarHBondContact O-CB 3.45Å; A128-I132 WeakPolarHBondContact O-CD1 3.48Å; A128-I132 VanDerWaalsContact O-CG1 3.25Å; A128-I132 WeakPolarHBondContact O-CG1 3.24Å; A128-I132 PolarHBondContact O-N 2.84Å; A128-I164 HydrophobicContact CB-CG2 4.13Å; A128-A178 HydrophobicContact CB-CB 4.41Å; A128-L179 HydrophobicContact CB-CD2 4.09Å; A128-L179 HydrophobicContact CB-CG 4.07Å
129	S	94.8	Very high	93.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58	-47.7	178.5	178.3	0	0	0	0	112.1	R125 H126 H131 I132 R133 C161	R125-S129 WeakPolarHBondContact O-CB 3.38Å; R125-S129 PolarHBondContact O-N 2.93Å; H126-S129 PolarHBondContact O-N 2.63Å; S129-H131 PolarHBondContact O-N 3.18Å; S129-I132 PolarHBondContact O-N 2.73Å; S129-R133 WeakPolarHBondContact O-CB 3.39Å; S129-R133 PolarHBondContact O-N 2.79Å; S129-C161 WeakPolarHBondContact CB-O 3.49Å; S129-C161 VanDerWaalsContact OG-C 3.31Å; S129-C161 PolarHBondContact OG-O 2.57Å
130	Y	92.9	Very high	94.2	Very high	40 Å²	40	36.2 Å²	36.2	16%	0.157	17%	0.173	C	C	.	.	H	α-helix	trans	-57.9	-48.7	177.8	169.4	-106.9	0	0	0	112.2	M102 S103 H126 A128 R133 K134 M182	M102-Y130 PolarHBondContact O-OH 2.84Å; S103-Y130 VanDerWaalsContact CA-CE2 3.43Å; H126-Y130 VanDerWaalsContact O-CB 3.31Å; H126-Y130 WeakPolarHBondContact O-CB 3.38Å; H126-Y130 PolarHBondContact O-N 3.12Å; A128-Y130 PolarHBondContact O-N 2.67Å; Y130-R133 PolarHBondContact O-N 2.8Å; Y130-K134 HydrophobicContact CE1-CD 4.16Å; Y130-K134 HydrophobicContact CE2-CD 4.41Å; Y130-K134 VanDerWaalsContact O-CB 3.28Å; Y130-K134 WeakPolarHBondContact O-CB 3.22Å; Y130-K134 PolarHBondContact O-N 3.23Å; Y130-K134 PolarHBondContact OH-NZ 3.41Å; Y130-M182 HydrophobicContact CD1-CE 3.85Å; Y130-M182 HydrophobicContact CD1-SD 4.33Å; Y130-M182 HydrophobicContact CE1-CE 4.16Å
131	H	95	Very high	94.4	Very high	21 Å²	21	40.3 Å²	40.3	10%	0.097	20%	0.199	C	C	.	.	H	α-helix	trans	-65.9	-43.5	-177.7	-175.7	79.2	0	0	0	111.8	L127 A128 S129 K134 N135 F139 A178 T181 M182	L127-H131 WeakPolarHBondContact O-CB 3.39Å; L127-H131 PolarHBondContact O-N 2.71Å; A128-H131 PolarHBondContact O-N 3.06Å; S129-H131 PolarHBondContact O-N 3.18Å; H131-K134 PolarHBondContact O-N 3.03Å; H131-N135 PolarHBondContact CE1-ND2 3.17Å; H131-N135 PolarHBondContact ND1-ND2 3.17Å; H131-N135 PolarHBondContact O-N 3.34Å; H131-N135 VanDerWaalsContact O-N 3.09Å; H131-N135 PolarHBondContact O-ND2 3.25Å; H131-F139 AromaticContact CD2-CE2 3.59Å; H131-F139 AromaticContact CD2-CZ 3.59Å; H131-F139 AromaticContact NE2-CE2 3.76Å; H131-F139 AromaticContact NE2-CZ 3.83Å; H131-A178 HydrophobicContact CB-CB 4.15Å; H131-T181 WeakPolarHBondContact CE1-CG2 3.33Å; H131-M182 HydrophobicContact CB-CG 3.62Å; H131-M182 HydrophobicContact CB-SD 3.78Å
132	I	96.4	Very high	94.5	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-50.8	176.2	-68.6	162.9	0	0	0	109.4	A128 S129 K134 N135 M136 F139 F157 Y160 I164 I174 E175 A178	A128-I132 WeakPolarHBondContact O-CB 3.45Å; A128-I132 WeakPolarHBondContact O-CD1 3.48Å; A128-I132 VanDerWaalsContact O-CG1 3.25Å; A128-I132 WeakPolarHBondContact O-CG1 3.24Å; A128-I132 PolarHBondContact O-N 2.84Å; S129-I132 PolarHBondContact O-N 2.73Å; I132-K134 PolarHBondContact O-N 3.1Å; I132-N135 CarbonylContact O-C 3.58Å; I132-N135 PolarHBondContact O-N 2.83Å; I132-M136 PolarHBondContact O-N 2.77Å; I132-M136 VanDerWaalsContact O-N 3.14Å; I132-F139 HydrophobicContact CB-CD2 4.46Å; I132-F139 HydrophobicContact CG1-CD1 4.18Å; I132-F139 HydrophobicContact CG1-CD2 4.4Å; I132-F139 HydrophobicContact CG1-CE1 4.15Å; I132-F139 HydrophobicContact CG1-CE2 4.41Å; I132-F139 HydrophobicContact CG1-CG 4.29Å; I132-F139 HydrophobicContact CG1-CZ 4.28Å; I132-F139 HydrophobicContact CG2-CB 4.16Å; I132-F139 HydrophobicContact CG2-CD2 4.48Å; I132-F139 HydrophobicContact CG2-CG 4.21Å; I132-F157 HydrophobicContact CG2-CE2 3.73Å; I132-F157 HydrophobicContact CG2-CZ 3.75Å; I132-F157 WeakPolarHBondContact O-CZ 3.01Å; I132-Y160 HydrophobicContact CG2-CE1 4.15Å; I132-I164 HydrophobicContact CD1-CD1 3.59Å; I132-I174 HydrophobicContact CD1-CG2 3.78Å; I132-I174 HydrophobicContact CG1-CG2 4.19Å; I132-E175 HydrophobicContact CD1-CG 4.46Å; I132-A178 HydrophobicContact CD1-CB 4Å; I132-A178 HydrophobicContact CG1-CB 3.69Å
133	R	94.6	Very high	94.6	Very high	73 Å²	73	43.4 Å²	43.4	28%	0.275	21%	0.212	S	C	.	.	H	α-helix	trans	-57.5	-46	179.9	-173.5	-176.5	-80.3	129.6	-8.7	112.2	S129 Y130 N135 E158 C161 D162 E165	S129-R133 WeakPolarHBondContact O-CB 3.39Å; S129-R133 PolarHBondContact O-N 2.79Å; Y130-R133 PolarHBondContact O-N 2.8Å; R133-N135 VanDerWaalsContact C-N 3.3Å; R133-N135 PolarHBondContact O-N 3.43Å; R133-E158 IonicContact CZ-OE1 2.74Å; R133-E158 IonicContact NE-OE1 3.2Å; R133-E158 PolarHBondContact NE-OE1 3.49Å; R133-E158 IonicContact NE-OE2 3.63Å; R133-E158 PolarHBondContact NE-OE2 2.89Å; R133-E158 IonicContact NH2-OE1 2.9Å; R133-E158 PolarHBondContact NH2-OE1 3.13Å; R133-C161 HydrophobicContact CB-CB 4.38Å; R133-D162 IonicContact NH2-OD1 3.19Å; R133-D162 PolarHBondContact NH2-OD1 3.45Å; R133-E165 IonicContact NH1-OE2 3.06Å
134	K	94.3	Very high	94.6	Very high	135 Å²	135	48.5 Å²	48.5	59%	0.587	23%	0.234	S	C	*	.	H	α-helix	trans	-65.6	-31.9	-180	-175.7	176.8	-177.3	176.2	0	112.9	Y130 H131 I132	Y130-K134 HydrophobicContact CE1-CD 4.16Å; Y130-K134 HydrophobicContact CE2-CD 4.41Å; Y130-K134 VanDerWaalsContact O-CB 3.28Å; Y130-K134 WeakPolarHBondContact O-CB 3.22Å; Y130-K134 PolarHBondContact O-N 3.23Å; Y130-K134 PolarHBondContact OH-NZ 3.41Å; H131-K134 PolarHBondContact O-N 3.03Å; I132-K134 PolarHBondContact O-N 3.1Å
135	N	96.3	Very high	94.2	Very high	47 Å²	47	50 Å²	50	25%	0.251	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	37.2	-176.4	-55.9	-77.3	0	0	0	111.4	H131 I132 R133 N137 D138 F139	H131-N135 PolarHBondContact CE1-ND2 3.17Å; H131-N135 PolarHBondContact ND1-ND2 3.17Å; H131-N135 PolarHBondContact O-N 3.34Å; H131-N135 VanDerWaalsContact O-N 3.09Å; H131-N135 PolarHBondContact O-ND2 3.25Å; I132-N135 CarbonylContact O-C 3.58Å; I132-N135 PolarHBondContact O-N 2.83Å; R133-N135 VanDerWaalsContact C-N 3.3Å; R133-N135 PolarHBondContact O-N 3.43Å; N135-N137 PolarHBondContact O-N 3.36Å; N135-D138 HydrophobicContact CB-CB 4.47Å; N135-D138 WeakPolarHBondContact O-CB 2.99Å; N135-D138 PolarHBondContact O-N 3.12Å; N135-F139 HydrophobicContact CB-CD2 4.05Å; N135-F139 HydrophobicContact CB-CE2 3.95Å; N135-F139 WeakPolarHBondContact O-CD2 3.44Å; N135-F139 PolarHBondContact O-N 3.38Å
136	M	96.4	Very high	93.5	Very high	50 Å²	50	55.4 Å²	55.4	25%	0.246	28%	0.278	C	S	.	.	H	α-helix	trans	-44.5	-45.3	-173.9	178.3	-176.1	73.5	0	0	113.7	I132 D138 F139 L140 I154 F157	I132-M136 PolarHBondContact O-N 2.77Å; I132-M136 VanDerWaalsContact O-N 3.14Å; M136-D138 PolarHBondContact O-N 3.03Å; M136-F139 PolarHBondContact O-N 3.26Å; M136-F139 VanDerWaalsContact O-N 3.13Å; M136-L140 HydrophobicContact CG-CB 4.27Å; M136-L140 HydrophobicContact CG-CD2 4.43Å; M136-L140 WeakPolarHBondContact O-CB 3.37Å; M136-L140 PolarHBondContact O-N 2.9Å; M136-I154 HydrophobicContact SD-CG2 4.26Å; M136-F157 HydrophobicContact CB-CD1 4.41Å; M136-F157 HydrophobicContact CB-CE1 3.67Å; M136-F157 HydrophobicContact CB-CE2 4.38Å; M136-F157 HydrophobicContact CB-CZ 3.65Å; M136-F157 HydrophobicContact CG-CD1 3.76Å; M136-F157 HydrophobicContact CG-CD2 4.19Å; M136-F157 HydrophobicContact CG-CE1 3.5Å; M136-F157 VanDerWaalsContact CG-CE1 3.5Å; M136-F157 HydrophobicContact CG-CE2 3.95Å; M136-F157 HydrophobicContact CG-CG 4.09Å; M136-F157 HydrophobicContact CG-CZ 3.6Å; M136-F157 HydrophobicContact SD-CD1 3.78Å; M136-F157 HydrophobicContact SD-CE1 3.98Å; M136-F157 HydrophobicContact SD-CG 4.29Å
137	N	96.8	Very high	93.1	Very high	124 Å²	124	62.3 Å²	62.3	66%	0.663	32%	0.316	S	S	*	.	H	α-helix	trans	-62.3	-27.8	-176.9	-66.5	-20.7	0	0	0	113.5	N135 P141	N135-N137 PolarHBondContact O-N 3.36Å; N137-P141 VanDerWaalsContact O-CD 3.31Å; N137-P141 WeakPolarHBondContact O-CD 3.33Å
138	D	96.3	Very high	92.9	Very high	108 Å²	108	65.6 Å²	65.6	58%	0.578	34%	0.339	S	S	*	.	H	α-helix	trans	-82.2	-24.7	180	-58.6	-24.1	0	0	0	111.8	N135 M136 F142	N135-D138 HydrophobicContact CB-CB 4.47Å; N135-D138 WeakPolarHBondContact O-CB 2.99Å; N135-D138 PolarHBondContact O-N 3.12Å; M136-D138 PolarHBondContact O-N 3.03Å; D138-F142 WeakPolarHBondContact O-CD2 3.47Å; D138-F142 WeakPolarHBondContact O-CE2 3.43Å
139	F	96.4	Very high	92.6	Very high	12 Å²	12	68 Å²	68	5%	0.053	36%	0.363	C	S	.	.	H	α-helix	trans	-102.4	-38.6	-175.5	-73.3	-79.9	0	0	0	113.5	H131 I132 N135 M136 P141 F142 L143 I174 R177 A178	H131-F139 AromaticContact CD2-CE2 3.59Å; H131-F139 AromaticContact CD2-CZ 3.59Å; H131-F139 AromaticContact NE2-CE2 3.76Å; H131-F139 AromaticContact NE2-CZ 3.83Å; I132-F139 HydrophobicContact CB-CD2 4.46Å; I132-F139 HydrophobicContact CG1-CD1 4.18Å; I132-F139 HydrophobicContact CG1-CD2 4.4Å; I132-F139 HydrophobicContact CG1-CE1 4.15Å; I132-F139 HydrophobicContact CG1-CE2 4.41Å; I132-F139 HydrophobicContact CG1-CG 4.29Å; I132-F139 HydrophobicContact CG1-CZ 4.28Å; I132-F139 HydrophobicContact CG2-CB 4.16Å; I132-F139 HydrophobicContact CG2-CD2 4.48Å; I132-F139 HydrophobicContact CG2-CG 4.21Å; N135-F139 HydrophobicContact CB-CD2 4.05Å; N135-F139 HydrophobicContact CB-CE2 3.95Å; N135-F139 WeakPolarHBondContact O-CD2 3.44Å; N135-F139 PolarHBondContact O-N 3.38Å; M136-F139 PolarHBondContact O-N 3.26Å; M136-F139 VanDerWaalsContact O-N 3.13Å; F139-P141 VanDerWaalsContact C-N 3.32Å; F139-F142 PolarHBondContact O-N 3.19Å; F139-L143 HydrophobicContact CB-CD1 4.47Å; F139-I174 HydrophobicContact CD1-CD1 4.29Å; F139-I174 HydrophobicContact CD1-CG2 3.65Å; F139-I174 HydrophobicContact CE1-CG2 4.08Å; F139-R177 HydrophobicContact CE1-CB 4.35Å; F139-R177 HydrophobicContact CE1-CG 4.11Å; F139-R177 HydrophobicContact CZ-CG 4.25Å; F139-A178 HydrophobicContact CZ-CB 4.24Å
140	L	95.5	Very high	92.4	Very high	32 Å²	32	73.8 Å²	73.8	17%	0.168	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-51.9	-40.2	-174.6	-170.7	68.3	0	0	0	114	M136 F142 L143 M152 I154 F157	M136-L140 HydrophobicContact CG-CB 4.27Å; M136-L140 HydrophobicContact CG-CD2 4.43Å; M136-L140 WeakPolarHBondContact O-CB 3.37Å; M136-L140 PolarHBondContact O-N 2.9Å; L140-F142 PolarHBondContact O-N 2.84Å; L140-F142 VanDerWaalsContact O-N 3.1Å; L140-L143 PolarHBondContact O-N 2.71Å; L140-L143 VanDerWaalsContact O-N 3.16Å; L140-M152 HydrophobicContact CD1-CB 4.32Å; L140-M152 HydrophobicContact CD1-CG 4.46Å; L140-M152 WeakPolarHBondContact CD1-O 3.24Å; L140-I154 HydrophobicContact CD2-CG1 3.8Å; L140-F157 HydrophobicContact CD1-CB 4Å; L140-F157 HydrophobicContact CD1-CD2 3.76Å; L140-F157 HydrophobicContact CD1-CG 4.15Å
141	P	95.3	Very high	92.5	Very high	91 Å²	91	76 Å²	76	59%	0.591	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-61	-19.4	178.2	-25	36.2	0	0	0	115.1	N137 F139	N137-P141 VanDerWaalsContact O-CD 3.31Å; N137-P141 WeakPolarHBondContact O-CD 3.33Å; F139-P141 VanDerWaalsContact C-N 3.32Å
142	F	94.4	Very high	92.4	Very high	139 Å²	139	75.8 Å²	75.8	61%	0.61	41%	0.409	S	S	*	.	G	3₁₀ helix	trans	-105.3	0	-177.8	-53.7	-76.8	0	0	0	113.1	D138 F139 L140 F144 I174	D138-F142 WeakPolarHBondContact O-CD2 3.47Å; D138-F142 WeakPolarHBondContact O-CE2 3.43Å; F139-F142 PolarHBondContact O-N 3.19Å; L140-F142 PolarHBondContact O-N 2.84Å; L140-F142 VanDerWaalsContact O-N 3.1Å; F142-F144 WeakPolarHBondContact O-CD2 3.38Å; F142-I174 HydrophobicContact CB-CD1 3.77Å
143	L	94.2	Very high	92.3	Very high	8 Å²	8	78.2 Å²	78.2	4%	0.042	43%	0.426	C	S	.	.			trans	-96.1	136.3	-178.6	-69.4	175.5	0	0	0	110.7	F139 L140 M152 F157 Y160 I174	F139-L143 HydrophobicContact CB-CD1 4.47Å; L140-L143 PolarHBondContact O-N 2.71Å; L140-L143 VanDerWaalsContact O-N 3.16Å; L143-M152 HydrophobicContact CB-CB 3.68Å; L143-M152 HydrophobicContact CB-CE 3.99Å; L143-M152 HydrophobicContact CB-CG 4.38Å; L143-M152 HydrophobicContact CB-SD 3.88Å; L143-M152 HydrophobicContact CD1-SD 3.95Å; L143-M152 HydrophobicContact CG-SD 4.45Å; L143-M152 WeakPolarHBondContact O-CB 3.48Å; L143-M152 PolarHBondContact O-N 2.97Å; L143-F157 HydrophobicContact CD1-CD2 3.58Å; L143-F157 HydrophobicContact CD1-CE2 3.61Å; L143-Y160 HydrophobicContact CD1-CD1 3.78Å; L143-Y160 HydrophobicContact CD1-CE1 3.61Å; L143-Y160 HydrophobicContact CD2-CD1 4.18Å; L143-Y160 HydrophobicContact CD2-CE1 3.43Å; L143-Y160 VanDerWaalsContact CD2-CE1 3.43Å; L143-Y160 HydrophobicContact CD2-CE2 4.24Å; L143-Y160 VanDerWaalsContact CD2-CZ 3.46Å; L143-Y160 WeakPolarHBondContact CD2-OH 3.31Å; L143-Y160 HydrophobicContact CG-CE1 4.19Å; L143-I174 HydrophobicContact CD2-CG1 4.12Å; L143-I174 HydrophobicContact CD2-CG2 4.11Å
144	F	90.5	Very high	92.1	Very high	118 Å²	118	80.1 Å²	80.1	52%	0.518	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-125.2	146.7	178.9	-65.1	-94	0	0	0	110.2	F142 G149 E150 P151 M152	F142-F144 WeakPolarHBondContact O-CD2 3.38Å; F144-G149 VanDerWaalsContact CD1-O 3.32Å; F144-G149 WeakPolarHBondContact CD1-O 3.43Å; F144-E150 CarbonylContact C-O 3.54Å; F144-E150 WeakPolarHBondContact CA-O 3.49Å; F144-P151 HydrophobicContact CE1-CG 4.34Å; F144-M152 WeakPolarHBondContact O-CE 3.49Å
145	N	85.4	Confident	91.8	Very high	33 Å²	33	77.8 Å²	77.8	18%	0.176	45%	0.446	C	S	.	.			trans	-68	124.7	171.9	-178.4	-45.6	0	0	0	109.1	D147 S148 G149 E150 N156	N145-D147 VanDerWaalsContact C-N 3.25Å; N145-D147 PolarHBondContact O-N 3.38Å; N145-D147 WeakPolarHBondContact OD1-CA 3.27Å; N145-D147 WeakPolarHBondContact OD1-CB 3.25Å; N145-D147 PolarHBondContact OD1-N 3.46Å; N145-S148 WeakPolarHBondContact CB-OG 3.25Å; N145-S148 PolarHBondContact OD1-N 3.45Å; N145-G149 VanDerWaalsContact O-CA 3.32Å; N145-G149 WeakPolarHBondContact O-CA 3.17Å; N145-G149 PolarHBondContact O-N 2.91Å; N145-E150 PolarHBondContact N-O 2.92Å; N145-N156 PolarHBondContact ND2-ND2 3.3Å
146	P	78.8	Confident	91.7	Very high	121 Å²	121	78.9 Å²	78.9	79%	0.786	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-25.9	-176.6	27	-35.1	0	0	0	113.7
147	D	83.3	Confident	91.6	Very high	156 Å²	156	76.7 Å²	76.7	83%	0.834	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-39.2	-178.6	-61.8	-41.8	0	0	0	112.3	N145	N145-D147 VanDerWaalsContact C-N 3.25Å; N145-D147 PolarHBondContact O-N 3.38Å; N145-D147 WeakPolarHBondContact OD1-CA 3.27Å; N145-D147 WeakPolarHBondContact OD1-CB 3.25Å; N145-D147 PolarHBondContact OD1-N 3.46Å
148	S	88.3	Confident	91.4	Very high	69 Å²	69	74.9 Å²	74.9	48%	0.483	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-18.6	-176	69.1	0	0	0	0	114.7	N145 E150	N145-S148 WeakPolarHBondContact CB-OG 3.25Å; N145-S148 PolarHBondContact OD1-N 3.45Å; S148-E150 PolarHBondContact O-N 3.44Å; S148-E150 WeakPolarHBondContact OG-CB 3.32Å; S148-E150 PolarHBondContact OG-N 3.39Å
149	G	88	Confident	91.3	Very high	50 Å²	50	74.8 Å²	74.8	52%	0.515	43%	0.425	S	S	.	.			trans	69.6	2.3	-172.2	0	0	0	0	0	114.4	F144 N145	F144-G149 VanDerWaalsContact CD1-O 3.32Å; F144-G149 WeakPolarHBondContact CD1-O 3.43Å; N145-G149 VanDerWaalsContact O-CA 3.32Å; N145-G149 WeakPolarHBondContact O-CA 3.17Å; N145-G149 PolarHBondContact O-N 2.91Å
150	E	91.9	Very high	91.1	Very high	123 Å²	123	75.9 Å²	75.9	58%	0.575	43%	0.429	S	S	*	.	S	Bend	trans	-79.8	156	178.6	-67.9	-64.5	156.1	0	0	111.3	F144 N145 S148 M152	F144-E150 CarbonylContact C-O 3.54Å; F144-E150 WeakPolarHBondContact CA-O 3.49Å; N145-E150 PolarHBondContact N-O 2.92Å; S148-E150 PolarHBondContact O-N 3.44Å; S148-E150 WeakPolarHBondContact OG-CB 3.32Å; S148-E150 PolarHBondContact OG-N 3.39Å; E150-M152 PolarHBondContact O-N 3.36Å
151	P	93.5	Very high	91.1	Very high	87 Å²	87	74.4 Å²	74.4	57%	0.565	42%	0.421	S	S	*	.	B	Isolated β-bridge	trans	-49.8	136.2	171.8	-26.7	35.2	0	0	0	112.1	F144 S153	F144-P151 HydrophobicContact CE1-CG 4.34Å; P151-S153 PolarHBondContact O-N 2.96Å
152	M	94.1	Very high	91	Very high	15 Å²	15	71.7 Å²	71.7	7%	0.074	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-67.4	128.5	-177.2	-172.9	173.9	-67.5	0	0	110.5	L140 L143 F144 E150 N156 F157 Y160	L140-M152 HydrophobicContact CD1-CB 4.32Å; L140-M152 HydrophobicContact CD1-CG 4.46Å; L140-M152 WeakPolarHBondContact CD1-O 3.24Å; L143-M152 HydrophobicContact CB-CB 3.68Å; L143-M152 HydrophobicContact CB-CE 3.99Å; L143-M152 HydrophobicContact CB-CG 4.38Å; L143-M152 HydrophobicContact CB-SD 3.88Å; L143-M152 HydrophobicContact CD1-SD 3.95Å; L143-M152 HydrophobicContact CG-SD 4.45Å; L143-M152 WeakPolarHBondContact O-CB 3.48Å; L143-M152 PolarHBondContact O-N 2.97Å; F144-M152 WeakPolarHBondContact O-CE 3.49Å; E150-M152 PolarHBondContact O-N 3.36Å; M152-N156 HydrophobicContact CG-CB 4.02Å; M152-F157 HydrophobicContact SD-CB 4.29Å; M152-F157 HydrophobicContact SD-CD2 4.39Å; M152-Y160 HydrophobicContact CE-CD1 4.39Å; M152-Y160 HydrophobicContact CE-CD2 3.98Å; M152-Y160 HydrophobicContact CE-CG 3.79Å; M152-Y160 HydrophobicContact SD-CD1 4.19Å; M152-Y160 HydrophobicContact SD-CG 3.97Å
153	S	93.3	Very high	91	Very high	52 Å²	52	67.7 Å²	67.7	36%	0.364	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-77.1	156.2	173.6	70.6	0	0	0	0	111.3	P151 A155 N156 F157	P151-S153 PolarHBondContact O-N 2.96Å; S153-A155 PolarHBondContact O-N 2.74Å; S153-N156 PolarHBondContact O-N 3Å; S153-N156 PolarHBondContact OG-N 3.38Å; S153-F157 PolarHBondContact O-N 3.02Å
154	I	91.7	Very high	91	Very high	113 Å²	113	67.3 Å²	67.3	58%	0.579	39%	0.385	S	S	*	.	H	α-helix	trans	-54.7	-36.3	172.7	-62.7	172.4	0	0	0	111.2	M136 L140 N156 F157	M136-I154 HydrophobicContact SD-CG2 4.26Å; L140-I154 HydrophobicContact CD2-CG1 3.8Å; I154-N156 VanDerWaalsContact C-N 3.32Å; I154-N156 PolarHBondContact O-N 3.4Å; I154-F157 WeakPolarHBondContact O-CB 3.32Å; I154-F157 PolarHBondContact O-N 3.37Å
155	A	88.5	Confident	91	Very high	85 Å²	85	63.1 Å²	63.1	70%	0.702	37%	0.367	S	S	*	.	H	α-helix	trans	-64.4	-35.1	178	0	0	0	0	0	113	S153	S153-A155 PolarHBondContact O-N 2.74Å
156	N	92.2	Very high	91.2	Very high	70 Å²	70	68 Å²	68	37%	0.374	39%	0.386	S	S	.	.	H	α-helix	trans	-86.7	-21.1	178.4	-70.7	-19.3	0	0	0	112.9	N145 M152 S153 I154 E158 Q159 Y160	N145-N156 PolarHBondContact ND2-ND2 3.3Å; M152-N156 HydrophobicContact CG-CB 4.02Å; S153-N156 PolarHBondContact O-N 3Å; S153-N156 PolarHBondContact OG-N 3.38Å; I154-N156 VanDerWaalsContact C-N 3.32Å; I154-N156 PolarHBondContact O-N 3.4Å; N156-E158 VanDerWaalsContact C-N 3.34Å; N156-E158 PolarHBondContact O-N 3.24Å; N156-Q159 PolarHBondContact O-N 2.87Å; N156-Y160 PolarHBondContact O-N 3.46Å
157	F	94.9	Very high	91.7	Very high	5 Å²	5	65 Å²	65	2%	0.022	37%	0.366	C	S	.	.	H	α-helix	trans	-58.4	-42.3	-179.5	176.5	-96.5	0	0	0	113.1	I132 M136 L140 L143 M152 S153 I154 Q159 Y160 C161	I132-F157 HydrophobicContact CG2-CE2 3.73Å; I132-F157 HydrophobicContact CG2-CZ 3.75Å; I132-F157 WeakPolarHBondContact O-CZ 3.01Å; M136-F157 HydrophobicContact CB-CD1 4.41Å; M136-F157 HydrophobicContact CB-CE1 3.67Å; M136-F157 HydrophobicContact CB-CE2 4.38Å; M136-F157 HydrophobicContact CB-CZ 3.65Å; M136-F157 HydrophobicContact CG-CD1 3.76Å; M136-F157 HydrophobicContact CG-CD2 4.19Å; M136-F157 HydrophobicContact CG-CE1 3.5Å; M136-F157 VanDerWaalsContact CG-CE1 3.5Å; M136-F157 HydrophobicContact CG-CE2 3.95Å; M136-F157 HydrophobicContact CG-CG 4.09Å; M136-F157 HydrophobicContact CG-CZ 3.6Å; M136-F157 HydrophobicContact SD-CD1 3.78Å; M136-F157 HydrophobicContact SD-CE1 3.98Å; M136-F157 HydrophobicContact SD-CG 4.29Å; L140-F157 HydrophobicContact CD1-CB 4Å; L140-F157 HydrophobicContact CD1-CD2 3.76Å; L140-F157 HydrophobicContact CD1-CG 4.15Å; L143-F157 HydrophobicContact CD1-CD2 3.58Å; L143-F157 HydrophobicContact CD1-CE2 3.61Å; M152-F157 HydrophobicContact SD-CB 4.29Å; M152-F157 HydrophobicContact SD-CD2 4.39Å; S153-F157 PolarHBondContact O-N 3.02Å; I154-F157 WeakPolarHBondContact O-CB 3.32Å; I154-F157 PolarHBondContact O-N 3.37Å; F157-Q159 VanDerWaalsContact C-N 3.33Å; F157-Q159 PolarHBondContact O-N 2.84Å; F157-Y160 WeakPolarHBondContact O-CB 3.49Å; F157-Y160 PolarHBondContact O-N 2.87Å; F157-C161 PolarHBondContact O-N 3.29Å; F157-C161 PolarHBondContact O-SG 2.98Å; F157-C161 VanDerWaalsContact O-SG 3.38Å
158	E	93.6	Very high	91.8	Very high	86 Å²	86	61 Å²	61	40%	0.402	35%	0.351	S	S	.	.	H	α-helix	trans	-64.6	-40.3	178.6	-173	56.1	-149.2	0	0	111.4	R133 N156 Y160 C161 D162	R133-E158 IonicContact CZ-OE1 2.74Å; R133-E158 IonicContact NE-OE1 3.2Å; R133-E158 PolarHBondContact NE-OE1 3.49Å; R133-E158 IonicContact NE-OE2 3.63Å; R133-E158 PolarHBondContact NE-OE2 2.89Å; R133-E158 IonicContact NH2-OE1 2.9Å; R133-E158 PolarHBondContact NH2-OE1 3.13Å; N156-E158 VanDerWaalsContact C-N 3.34Å; N156-E158 PolarHBondContact O-N 3.24Å; E158-Y160 VanDerWaalsContact C-N 3.3Å; E158-Y160 PolarHBondContact O-N 3.33Å; E158-C161 PolarHBondContact O-N 2.97Å; E158-D162 WeakPolarHBondContact O-CB 3.4Å; E158-D162 PolarHBondContact O-N 3.42Å
159	Q	92.9	Very high	91.6	Very high	105 Å²	105	60.1 Å²	60.1	49%	0.491	34%	0.342	S	S	.	.	H	α-helix	trans	-65.6	-34.4	175.9	-175.6	59.6	74.9	0	0	112	N156 F157 D162 N163	N156-Q159 PolarHBondContact O-N 2.87Å; F157-Q159 VanDerWaalsContact C-N 3.33Å; F157-Q159 PolarHBondContact O-N 2.84Å; Q159-D162 PolarHBondContact O-N 3.32Å; Q159-N163 PolarHBondContact NE2-OD1 3.46Å; Q159-N163 WeakPolarHBondContact O-CB 3.37Å; Q159-N163 PolarHBondContact O-N 3.36Å; Q159-N163 PolarHBondContact O-ND2 2.81Å; Q159-N163 PolarHBondContact O-OD1 3.09Å
160	Y	94	Very high	91.3	Very high	36 Å²	36	64.4 Å²	64.4	14%	0.141	34%	0.343	C	S	.	.	H	α-helix	trans	-64.5	-47.1	173.7	167.6	-106.9	0	0	0	111.6	I132 L143 M152 N156 F157 E158 D162 N163 I164 I174 E175	I132-Y160 HydrophobicContact CG2-CE1 4.15Å; L143-Y160 HydrophobicContact CD1-CD1 3.78Å; L143-Y160 HydrophobicContact CD1-CE1 3.61Å; L143-Y160 HydrophobicContact CD2-CD1 4.18Å; L143-Y160 HydrophobicContact CD2-CE1 3.43Å; L143-Y160 VanDerWaalsContact CD2-CE1 3.43Å; L143-Y160 HydrophobicContact CD2-CE2 4.24Å; L143-Y160 VanDerWaalsContact CD2-CZ 3.46Å; L143-Y160 WeakPolarHBondContact CD2-OH 3.31Å; L143-Y160 HydrophobicContact CG-CE1 4.19Å; M152-Y160 HydrophobicContact CE-CD1 4.39Å; M152-Y160 HydrophobicContact CE-CD2 3.98Å; M152-Y160 HydrophobicContact CE-CG 3.79Å; M152-Y160 HydrophobicContact SD-CD1 4.19Å; M152-Y160 HydrophobicContact SD-CG 3.97Å; N156-Y160 PolarHBondContact O-N 3.46Å; F157-Y160 WeakPolarHBondContact O-CB 3.49Å; F157-Y160 PolarHBondContact O-N 2.87Å; E158-Y160 VanDerWaalsContact C-N 3.3Å; E158-Y160 PolarHBondContact O-N 3.33Å; Y160-D162 VanDerWaalsContact C-N 3.29Å; Y160-D162 PolarHBondContact O-N 2.93Å; Y160-N163 WeakPolarHBondContact O-CB 3.43Å; Y160-N163 PolarHBondContact O-N 3.49Å; Y160-N163 VanDerWaalsContact O-N 3.09Å; Y160-I164 HydrophobicContact CD1-CD1 4.17Å; Y160-I164 HydrophobicContact CE1-CD1 3.64Å; Y160-I164 HydrophobicContact CE2-CD1 4.04Å; Y160-I164 HydrophobicContact CE2-CG1 4.27Å; Y160-I164 PolarHBondContact O-N 3.49Å; Y160-I174 WeakPolarHBondContact OH-CG2 3.41Å; Y160-E175 PolarHBondContact OH-OE1 2.89Å
161	C	94.4	Very high	90.9	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-59.5	-41.6	175.1	-63.4	0	0	0	0	111.5	S129 R133 F157 E158 I164 E165	S129-C161 WeakPolarHBondContact CB-O 3.49Å; S129-C161 VanDerWaalsContact OG-C 3.31Å; S129-C161 PolarHBondContact OG-O 2.57Å; R133-C161 HydrophobicContact CB-CB 4.38Å; F157-C161 PolarHBondContact O-N 3.29Å; F157-C161 PolarHBondContact O-SG 2.98Å; F157-C161 VanDerWaalsContact O-SG 3.38Å; E158-C161 PolarHBondContact O-N 2.97Å; C161-I164 PolarHBondContact O-N 3.42Å; C161-E165 PolarHBondContact O-N 2.9Å
162	D	93.3	Very high	90.8	Very high	34 Å²	34	56 Å²	56	18%	0.182	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-39	174.3	-93.9	1	0	0	0	112.8	R133 E158 Q159 Y160 E165 K166	R133-D162 IonicContact NH2-OD1 3.19Å; R133-D162 PolarHBondContact NH2-OD1 3.45Å; E158-D162 WeakPolarHBondContact O-CB 3.4Å; E158-D162 PolarHBondContact O-N 3.42Å; Q159-D162 PolarHBondContact O-N 3.32Å; Y160-D162 VanDerWaalsContact C-N 3.29Å; Y160-D162 PolarHBondContact O-N 2.93Å; D162-E165 PolarHBondContact O-N 3.03Å; D162-K166 HydrophobicContact CB-CD 4.31Å; D162-K166 VanDerWaalsContact O-CB 3.25Å; D162-K166 WeakPolarHBondContact O-CB 3.47Å; D162-K166 WeakPolarHBondContact O-CG 3.41Å; D162-K166 PolarHBondContact O-N 2.84Å; D162-K166 WeakPolarHBondContact OD1-CE 3.25Å; D162-K166 IonicContact OD1-NZ 2.98Å; D162-K166 PolarHBondContact OD1-NZ 3.23Å; D162-K166 IonicContact OD2-NZ 3.11Å; D162-K166 PolarHBondContact OD2-NZ 3.47Å
163	N	93.7	Very high	90.8	Very high	56 Å²	56	61.2 Å²	61.2	30%	0.299	33%	0.329	S	S	.	.	H	α-helix	trans	-65.6	-41.7	177.7	-72.3	-18.2	0	0	0	111.5	Q159 Y160 E165 T167 T169	Q159-N163 PolarHBondContact NE2-OD1 3.46Å; Q159-N163 WeakPolarHBondContact O-CB 3.37Å; Q159-N163 PolarHBondContact O-N 3.36Å; Q159-N163 PolarHBondContact O-ND2 2.81Å; Q159-N163 PolarHBondContact O-OD1 3.09Å; Y160-N163 WeakPolarHBondContact O-CB 3.43Å; Y160-N163 PolarHBondContact O-N 3.49Å; Y160-N163 VanDerWaalsContact O-N 3.09Å; N163-E165 VanDerWaalsContact C-N 3.3Å; N163-E165 PolarHBondContact O-N 3.32Å; N163-T167 WeakPolarHBondContact O-CB 3.47Å; N163-T167 PolarHBondContact O-N 3.18Å; N163-T167 VanDerWaalsContact O-N 3.17Å; N163-T167 PolarHBondContact O-OG1 3.41Å; N163-T169 HydrophobicContact CB-CG2 4.15Å; N163-T169 WeakPolarHBondContact O-CG2 3.45Å
164	I	93.9	Very high	90.9	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-55.9	-48.9	174.3	-68.7	167.8	0	0	0	110.5	Y79 R125 A128 I132 Y160 C161 T169 E175	Y79-I164 WeakPolarHBondContact OH-CG2 3.36Å; R125-I164 WeakPolarHBondContact CD-O 3.46Å; R125-I164 WeakPolarHBondContact CG-O 3.43Å; R125-I164 PolarHBondContact NH1-O 2.95Å; A128-I164 HydrophobicContact CB-CG2 4.13Å; I132-I164 HydrophobicContact CD1-CD1 3.59Å; Y160-I164 HydrophobicContact CD1-CD1 4.17Å; Y160-I164 HydrophobicContact CE1-CD1 3.64Å; Y160-I164 HydrophobicContact CE2-CD1 4.04Å; Y160-I164 HydrophobicContact CE2-CG1 4.27Å; Y160-I164 PolarHBondContact O-N 3.49Å; C161-I164 PolarHBondContact O-N 3.42Å; I164-T169 HydrophobicContact CG1-CG2 4.41Å; I164-E175 HydrophobicContact CD1-CG 4.08Å; I164-E175 HydrophobicContact CG1-CG 4.33Å
165	E	91.8	Very high	91.2	Very high	30 Å²	30	55.3 Å²	55.3	14%	0.14	29%	0.294	C	S	.	.	H	α-helix	trans	-74.9	-44.3	-172.3	-177.8	172.3	-159.6	0	0	112.9	N107 H126 R133 C161 D162 N163	N107-E165 PolarHBondContact ND2-OE1 3.44Å; H126-E165 IonicContact CE1-OE1 3.55Å; H126-E165 IonicContact CG-OE1 3.78Å; H126-E165 IonicContact ND1-OE1 2.72Å; H126-E165 PolarHBondContact ND1-OE1 3.12Å; R133-E165 IonicContact NH1-OE2 3.06Å; C161-E165 PolarHBondContact O-N 2.9Å; D162-E165 PolarHBondContact O-N 3.03Å; N163-E165 VanDerWaalsContact C-N 3.3Å; N163-E165 PolarHBondContact O-N 3.32Å
166	K	89.5	Confident	91.7	Very high	135 Å²	135	51.2 Å²	51.2	59%	0.587	26%	0.26	S	S	*	.	H	α-helix	trans	-103.5	-6	-163.8	-59	169.4	-177.5	164.9	0	113.7	D162	D162-K166 HydrophobicContact CB-CD 4.31Å; D162-K166 VanDerWaalsContact O-CB 3.25Å; D162-K166 WeakPolarHBondContact O-CB 3.47Å; D162-K166 WeakPolarHBondContact O-CG 3.41Å; D162-K166 PolarHBondContact O-N 2.84Å; D162-K166 WeakPolarHBondContact OD1-CE 3.25Å; D162-K166 IonicContact OD1-NZ 2.98Å; D162-K166 PolarHBondContact OD1-NZ 3.23Å; D162-K166 IonicContact OD2-NZ 3.11Å; D162-K166 PolarHBondContact OD2-NZ 3.47Å
167	T	89	Confident	91.9	Very high	59 Å²	59	52.4 Å²	52.4	36%	0.362	26%	0.259	S	S	.	.	S	Bend	trans	-134.9	169.4	-175.1	81.1	0	0	0	0	111.6	R125 N163 T169	R125-T167 PolarHBondContact NE-O 3.27Å; R125-T167 PolarHBondContact NH1-O 3.06Å; N163-T167 WeakPolarHBondContact O-CB 3.47Å; N163-T167 PolarHBondContact O-N 3.18Å; N163-T167 VanDerWaalsContact O-N 3.17Å; N163-T167 PolarHBondContact O-OG1 3.41Å; T167-T169 PolarHBondContact O-N 2.62Å; T167-T169 PolarHBondContact OG1-N 3.03Å
168	S	86.2	Confident	92	Very high	72 Å²	72	52.2 Å²	52.2	50%	0.503	26%	0.258	S	S	.	.			trans	-88.3	40.6	170.2	-52	0	0	0	0	111.6	G75	G75-S168 WeakPolarHBondContact CA-O 3.3Å
169	T	83.7	Confident	92.2	Very high	49 Å²	49	48.1 Å²	48.1	30%	0.301	24%	0.239	S	C	.	.			trans	-62	145.5	172.2	-164.2	0	0	0	0	109.3	R125 N163 I164 T167	R125-T169 PolarHBondContact NH1-O 3.33Å; R125-T169 PolarHBondContact NH2-O 3.49Å; N163-T169 HydrophobicContact CB-CG2 4.15Å; N163-T169 WeakPolarHBondContact O-CG2 3.45Å; I164-T169 HydrophobicContact CG1-CG2 4.41Å; T167-T169 PolarHBondContact O-N 2.62Å; T167-T169 PolarHBondContact OG1-N 3.03Å
170	W	80.3	Confident	92.4	Very high	141 Å²	141	43.1 Å²	43.1	53%	0.534	22%	0.216	S	C	.	.			trans	-63.8	135.5	173.5	-65.8	-9.4	0	0	0	109.7	L220	W170-L220 WeakPolarHBondContact CH2-O 3.48Å; W170-L220 HydrophobicContact CZ2-CB 4.46Å
171	G	84.6	Confident	92.4	Very high	14 Å²	14	43.1 Å²	43.1	14%	0.144	22%	0.22	C	C	.	.			trans	-106.7	161.5	167.2	0	0	0	0	0	110.2	E175	G171-E175 WeakPolarHBondContact CA-OE2 3.42Å
172	G	91.5	Very high	92.4	Very high	19 Å²	19	44.1 Å²	44.1	20%	0.196	23%	0.225	C	C	.	.			trans	-145.5	-140	177.1	0	0	0	0	0	111.1	I174 E175 I176	G172-I174 VanDerWaalsContact C-N 3.26Å; G172-I174 PolarHBondContact O-N 3.37Å; G172-E175 PolarHBondContact N-OE2 2.7Å; G172-E175 PolarHBondContact O-N 3.41Å; G172-I176 VanDerWaalsContact O-CG1 3.25Å; G172-I176 WeakPolarHBondContact O-CG1 3.42Å; G172-I176 PolarHBondContact O-N 3.39Å
173	Q	93.6	Very high	92.4	Very high	124 Å²	124	42.7 Å²	42.7	58%	0.579	22%	0.217	S	C	*	.	H	α-helix	trans	-61.7	-32.1	-172.7	-65.7	-174.6	7.5	0	0	113.7	I176 R177 I199	Q173-I176 PolarHBondContact O-N 3.03Å; Q173-R177 WeakPolarHBondContact O-CB 3.35Å; Q173-R177 PolarHBondContact O-N 3.11Å; Q173-I199 HydrophobicContact CB-CD1 4.45Å
174	I	96	Very high	92.4	Very high	33 Å²	33	45.4 Å²	45.4	17%	0.169	23%	0.228	C	C	.	.	H	α-helix	trans	-65.6	-47.8	179.9	-63.4	-68	0	0	0	110.6	I132 F139 F142 L143 Y160 G172 I176 R177 A178	I132-I174 HydrophobicContact CD1-CG2 3.78Å; I132-I174 HydrophobicContact CG1-CG2 4.19Å; F139-I174 HydrophobicContact CD1-CD1 4.29Å; F139-I174 HydrophobicContact CD1-CG2 3.65Å; F139-I174 HydrophobicContact CE1-CG2 4.08Å; F142-I174 HydrophobicContact CB-CD1 3.77Å; L143-I174 HydrophobicContact CD2-CG1 4.12Å; L143-I174 HydrophobicContact CD2-CG2 4.11Å; Y160-I174 WeakPolarHBondContact OH-CG2 3.41Å; G172-I174 VanDerWaalsContact C-N 3.26Å; G172-I174 PolarHBondContact O-N 3.37Å; I174-I176 VanDerWaalsContact C-N 3.34Å; I174-R177 PolarHBondContact O-N 3.09Å; I174-A178 WeakPolarHBondContact O-CB 3.44Å; I174-A178 PolarHBondContact O-N 2.87Å
175	E	97.5	Very high	92.5	Very high	8 Å²	8	45.7 Å²	45.7	4%	0.037	23%	0.229	C	C	.	.	H	α-helix	trans	-66.6	-37.1	176.4	-65.4	77.2	-174.4	0	0	111.2	L78 Y79 I132 Y160 I164 G171 G172 A178 L179	L78-E175 HydrophobicContact CD2-CB 4Å; Y79-E175 WeakPolarHBondContact OH-CG 3.26Å; I132-E175 HydrophobicContact CD1-CG 4.46Å; Y160-E175 PolarHBondContact OH-OE1 2.89Å; I164-E175 HydrophobicContact CD1-CG 4.08Å; I164-E175 HydrophobicContact CG1-CG 4.33Å; G171-E175 WeakPolarHBondContact CA-OE2 3.42Å; G172-E175 PolarHBondContact N-OE2 2.7Å; G172-E175 PolarHBondContact O-N 3.41Å; E175-A178 PolarHBondContact O-N 3.45Å; E175-L179 WeakPolarHBondContact O-CB 3.2Å; E175-L179 VanDerWaalsContact O-CG 3.24Å; E175-L179 WeakPolarHBondContact O-CG 3.28Å; E175-L179 PolarHBondContact O-N 2.98Å
176	I	98.2	Very high	92.8	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-43.6	175.4	-65	165.2	0	0	0	111.1	L78 G172 Q173 I174 A178 L179 S180 I187 I189 I199 I211 Y224	L78-I176 HydrophobicContact CD1-CD1 3.77Å; L78-I176 HydrophobicContact CD1-CG1 3.6Å; L78-I176 HydrophobicContact CD2-CG1 4.1Å; L78-I176 HydrophobicContact CG-CG1 4.44Å; G172-I176 VanDerWaalsContact O-CG1 3.25Å; G172-I176 WeakPolarHBondContact O-CG1 3.42Å; G172-I176 PolarHBondContact O-N 3.39Å; Q173-I176 PolarHBondContact O-N 3.03Å; I174-I176 VanDerWaalsContact C-N 3.34Å; I176-A178 VanDerWaalsContact C-N 3.34Å; I176-A178 PolarHBondContact O-N 3.37Å; I176-L179 PolarHBondContact O-N 2.95Å; I176-S180 VanDerWaalsContact O-CB 3.32Å; I176-S180 WeakPolarHBondContact O-CB 3.49Å; I176-S180 PolarHBondContact O-N 3.2Å; I176-I187 HydrophobicContact CG2-CB 3.91Å; I176-I187 HydrophobicContact CG2-CD1 3.94Å; I176-I187 HydrophobicContact CG2-CG1 4.49Å; I176-I187 HydrophobicContact CG2-CG2 3.8Å; I176-I189 HydrophobicContact CD1-CD1 3.51Å; I176-I189 HydrophobicContact CD1-CG1 4.24Å; I176-I189 HydrophobicContact CG2-CD1 4.43Å; I176-I199 HydrophobicContact CB-CD1 4.1Å; I176-I199 HydrophobicContact CG2-CB 4.14Å; I176-I199 HydrophobicContact CG2-CD1 3.7Å; I176-I199 HydrophobicContact CG2-CG1 4.36Å; I176-I199 HydrophobicContact CG2-CG2 4.34Å; I176-I211 HydrophobicContact CD1-CD1 4.12Å; I176-Y224 HydrophobicContact CD1-CE1 4.04Å
177	R	97.8	Very high	93.2	Very high	95 Å²	95	38 Å²	38	36%	0.358	20%	0.196	S	C	.	.	H	α-helix	trans	-60.2	-46	175.2	176.4	61.3	-176.8	176.7	9.4	111.2	F139 Q173 I174 L179 S180 T181 I199 E202	F139-R177 HydrophobicContact CE1-CB 4.35Å; F139-R177 HydrophobicContact CE1-CG 4.11Å; F139-R177 HydrophobicContact CZ-CG 4.25Å; Q173-R177 WeakPolarHBondContact O-CB 3.35Å; Q173-R177 PolarHBondContact O-N 3.11Å; I174-R177 PolarHBondContact O-N 3.09Å; R177-L179 PolarHBondContact O-N 3.47Å; R177-S180 PolarHBondContact O-N 3.08Å; R177-T181 PolarHBondContact O-N 3.01Å; R177-T181 VanDerWaalsContact O-N 3.16Å; R177-T181 PolarHBondContact O-OG1 2.98Å; R177-T181 VanDerWaalsContact O-OG1 3.13Å; R177-I199 HydrophobicContact CB-CG2 3.98Å; R177-E202 IonicContact CZ-OE1 2.71Å; R177-E202 IonicContact NH1-OE1 3.16Å; R177-E202 PolarHBondContact NH1-OE1 3.13Å; R177-E202 IonicContact NH1-OE2 2.84Å; R177-E202 PolarHBondContact NH1-OE2 2.93Å; R177-E202 IonicContact NH2-OE1 2.83Å; R177-E202 PolarHBondContact NH2-OE1 3.37Å
178	A	97	Very high	93.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.8	-45.8	177.1	0	0	0	0	0	112.1	A128 H131 I132 F139 I174 E175 I176 T181 M182	A128-A178 HydrophobicContact CB-CB 4.41Å; H131-A178 HydrophobicContact CB-CB 4.15Å; I132-A178 HydrophobicContact CD1-CB 4Å; I132-A178 HydrophobicContact CG1-CB 3.69Å; F139-A178 HydrophobicContact CZ-CB 4.24Å; I174-A178 WeakPolarHBondContact O-CB 3.44Å; I174-A178 PolarHBondContact O-N 2.87Å; E175-A178 PolarHBondContact O-N 3.45Å; I176-A178 VanDerWaalsContact C-N 3.34Å; I176-A178 PolarHBondContact O-N 3.37Å; A178-T181 PolarHBondContact O-N 2.88Å; A178-M182 VanDerWaalsContact O-CG 3.31Å; A178-M182 WeakPolarHBondContact O-CG 3.48Å; A178-M182 PolarHBondContact O-N 2.83Å
179	L	96.7	Very high	94.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-65.7	-43	177.9	-74.6	176.2	0	0	0	112.6	Y79 I82 L124 L127 A128 E175 I176 R177 T181 M182 L183 I187	Y79-L179 HydrophobicContact CD1-CD1 4.06Å; Y79-L179 HydrophobicContact CE1-CD1 4.03Å; I82-L179 HydrophobicContact CD1-CD1 3.55Å; L124-L179 HydrophobicContact CB-CD2 4.01Å; L124-L179 HydrophobicContact CD2-CD2 3.85Å; L124-L179 WeakPolarHBondContact O-CD2 3.34Å; L127-L179 HydrophobicContact CB-CD2 4.37Å; A128-L179 HydrophobicContact CB-CD2 4.09Å; A128-L179 HydrophobicContact CB-CG 4.07Å; E175-L179 WeakPolarHBondContact O-CB 3.2Å; E175-L179 VanDerWaalsContact O-CG 3.24Å; E175-L179 WeakPolarHBondContact O-CG 3.28Å; E175-L179 PolarHBondContact O-N 2.98Å; I176-L179 PolarHBondContact O-N 2.95Å; R177-L179 PolarHBondContact O-N 3.47Å; L179-T181 VanDerWaalsContact C-N 3.27Å; L179-T181 PolarHBondContact O-N 2.74Å; L179-M182 PolarHBondContact O-N 2.9Å; L179-L183 HydrophobicContact CB-CD1 4.32Å; L179-L183 VanDerWaalsContact O-CB 3.22Å; L179-L183 WeakPolarHBondContact O-CB 3.32Å; L179-L183 WeakPolarHBondContact O-CG 3.32Å; L179-L183 PolarHBondContact O-N 3.4Å; L179-I187 HydrophobicContact CB-CD1 4.28Å
180	S	97.2	Very high	94.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-54.8	-46.2	175.9	174.6	0	0	0	0	111	I176 R177 L183 Q184 L185 I199 G200	I176-S180 VanDerWaalsContact O-CB 3.32Å; I176-S180 WeakPolarHBondContact O-CB 3.49Å; I176-S180 PolarHBondContact O-N 3.2Å; R177-S180 PolarHBondContact O-N 3.08Å; S180-L183 PolarHBondContact O-N 3.06Å; S180-Q184 WeakPolarHBondContact O-CA 3.08Å; S180-Q184 PolarHBondContact O-N 3.08Å; S180-L185 WeakPolarHBondContact CA-O 3.48Å; S180-L185 WeakPolarHBondContact CB-O 3.25Å; S180-L185 PolarHBondContact O-N 2.58Å; S180-L185 PolarHBondContact OG-O 3.47Å; S180-I199 PolarHBondContact OG-O 3.39Å; S180-G200 VanDerWaalsContact OG-CA 3.25Å; S180-G200 WeakPolarHBondContact OG-CA 3.42Å
181	T	95.3	Very high	95.6	Very high	37 Å²	37	27 Å²	27	23%	0.227	14%	0.135	C	C	.	.	H	α-helix	trans	-64.4	-45.4	176.3	-52.4	0	0	0	0	112.6	H131 R177 A178 L179 L183 Q184 F203	H131-T181 WeakPolarHBondContact CE1-CG2 3.33Å; R177-T181 PolarHBondContact O-N 3.01Å; R177-T181 VanDerWaalsContact O-N 3.16Å; R177-T181 PolarHBondContact O-OG1 2.98Å; R177-T181 VanDerWaalsContact O-OG1 3.13Å; A178-T181 PolarHBondContact O-N 2.88Å; L179-T181 VanDerWaalsContact C-N 3.27Å; L179-T181 PolarHBondContact O-N 2.74Å; T181-L183 VanDerWaalsContact C-N 3.33Å; T181-L183 PolarHBondContact O-N 3.12Å; T181-Q184 PolarHBondContact O-N 3Å; T181-F203 HydrophobicContact CG2-CZ 4.36Å
182	M	93.2	Very high	96	Very high	21 Å²	21	27.1 Å²	27.1	10%	0.103	14%	0.135	C	C	.	.	H	α-helix	trans	-67.5	-35	-178.8	-70.2	-57.8	-67.6	0	0	112.5	K99 L127 Y130 H131 A178 L179	K99-M182 HydrophobicContact CB-CE 4.41Å; K99-M182 VanDerWaalsContact CD-O 3.32Å; K99-M182 WeakPolarHBondContact CD-O 3.35Å; K99-M182 WeakPolarHBondContact CE-O 3.3Å; K99-M182 PolarHBondContact NZ-O 3.47Å; L127-M182 HydrophobicContact CB-CB 4.19Å; L127-M182 HydrophobicContact CB-CE 4.4Å; L127-M182 HydrophobicContact CB-CG 4.21Å; L127-M182 HydrophobicContact CD2-CE 3.54Å; L127-M182 HydrophobicContact CG-CE 4.5Å; Y130-M182 HydrophobicContact CD1-CE 3.85Å; Y130-M182 HydrophobicContact CD1-SD 4.33Å; Y130-M182 HydrophobicContact CE1-CE 4.16Å; H131-M182 HydrophobicContact CB-CG 3.62Å; H131-M182 HydrophobicContact CB-SD 3.78Å; A178-M182 VanDerWaalsContact O-CG 3.31Å; A178-M182 WeakPolarHBondContact O-CG 3.48Å; A178-M182 PolarHBondContact O-N 2.83Å; L179-M182 PolarHBondContact O-N 2.9Å
183	L	93.8	Very high	95.9	Very high	4 Å²	4	31 Å²	31	2%	0.021	15%	0.148	C	C	.	.	H	α-helix	trans	-81.6	-20.8	177.9	-63.2	171.3	0	0	0	112.6	I82 L86 Y91 L96 L124 L179 S180 T181 L185	I82-L183 HydrophobicContact CG2-CD1 4.1Å; L86-L183 HydrophobicContact CD1-CD1 4.27Å; L86-L183 HydrophobicContact CD1-CD2 3.98Å; L86-L183 HydrophobicContact CD2-CD1 4.23Å; L86-L183 HydrophobicContact CD2-CD2 4.34Å; Y91-L183 HydrophobicContact CE1-CD2 4.32Å; Y91-L183 PolarHBondContact OH-O 3.35Å; L96-L183 HydrophobicContact CD1-CD2 4.16Å; L96-L183 HydrophobicContact CD2-CD2 3.49Å; L96-L183 VanDerWaalsContact CD2-CD2 3.49Å; L96-L183 HydrophobicContact CG-CD2 4.47Å; L124-L183 HydrophobicContact CD2-CD1 4.42Å; L124-L183 HydrophobicContact CD2-CD2 4.2Å; L179-L183 HydrophobicContact CB-CD1 4.32Å; L179-L183 VanDerWaalsContact O-CB 3.22Å; L179-L183 WeakPolarHBondContact O-CB 3.32Å; L179-L183 WeakPolarHBondContact O-CG 3.32Å; L179-L183 PolarHBondContact O-N 3.4Å; S180-L183 PolarHBondContact O-N 3.06Å; T181-L183 VanDerWaalsContact C-N 3.33Å; T181-L183 PolarHBondContact O-N 3.12Å; L183-L185 VanDerWaalsContact C-N 3.26Å; L183-L185 HydrophobicContact CB-CB 4.14Å; L183-L185 HydrophobicContact CB-CD1 4.35Å; L183-L185 HydrophobicContact CB-CG 4.29Å
184	Q	93.7	Very high	95.7	Very high	112 Å²	112	28.7 Å²	28.7	52%	0.523	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	48.1	-166.3	-61.5	-177.6	32.1	0	0	111.4	S180 T181 F203	S180-Q184 WeakPolarHBondContact O-CA 3.08Å; S180-Q184 PolarHBondContact O-N 3.08Å; T181-Q184 PolarHBondContact O-N 3Å; Q184-F203 HydrophobicContact CB-CD1 3.85Å; Q184-F203 HydrophobicContact CB-CE1 4.02Å; Q184-F203 HydrophobicContact CB-CG 4.41Å; Q184-F203 HydrophobicContact CG-CD1 4.23Å; Q184-F203 HydrophobicContact CG-CE1 3.89Å; Q184-F203 HydrophobicContact CG-CZ 4.47Å
185	L	95.5	Very high	95.6	Very high	6 Å²	6	33.1 Å²	33.1	3%	0.031	19%	0.186	C	C	.	.			trans	-134.2	137.8	179.4	-74	179.2	0	0	0	109.8	L86 Y91 S180 L183 Q206 I209	L86-L185 HydrophobicContact CD2-CD1 3.86Å; Y91-L185 HydrophobicContact CD2-CD1 3.59Å; Y91-L185 HydrophobicContact CE2-CD1 3.56Å; Y91-L185 HydrophobicContact CE2-CG 4.1Å; S180-L185 WeakPolarHBondContact CA-O 3.48Å; S180-L185 WeakPolarHBondContact CB-O 3.25Å; S180-L185 PolarHBondContact O-N 2.58Å; S180-L185 PolarHBondContact OG-O 3.47Å; L183-L185 VanDerWaalsContact C-N 3.26Å; L183-L185 HydrophobicContact CB-CB 4.14Å; L183-L185 HydrophobicContact CB-CD1 4.35Å; L183-L185 HydrophobicContact CB-CG 4.29Å; L185-Q206 HydrophobicContact CD2-CB 3.87Å; L185-Q206 HydrophobicContact CD2-CG 4.31Å; L185-I209 HydrophobicContact CD1-CG2 4.33Å
186	P	97.7	Very high	95.4	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.026	20%	0.195	C	C	.	.			trans	-69.5	138.4	167.9	20.3	-14	0	0	0	109.2	I198 I199 G200 F203 Q206 P208 I209	P186-I198 HydrophobicContact CB-CG2 4.1Å; P186-I199 CarbonylContact C-O 3.56Å; P186-I199 WeakPolarHBondContact CA-O 2.84Å; P186-G200 WeakPolarHBondContact CB-O 3.44Å; P186-F203 WeakPolarHBondContact CD-O 3.19Å; P186-Q206 WeakPolarHBondContact CG-O 3.36Å; P186-P208 HydrophobicContact CB-CB 4.01Å; P186-P208 HydrophobicContact CG-CB 4.16Å; P186-P208 CarbonylContact O-C 3.57Å; P186-P208 WeakPolarHBondContact O-CA 3.42Å; P186-I209 PolarHBondContact O-N 3.48Å
187	I	98.3	Very high	95.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.3	176.4	-56.8	178.6	0	0	0	107.7	I82 I176 L179 I199 I209 I211	I82-I187 HydrophobicContact CD1-CD1 4.09Å; I176-I187 HydrophobicContact CG2-CB 3.91Å; I176-I187 HydrophobicContact CG2-CD1 3.94Å; I176-I187 HydrophobicContact CG2-CG1 4.49Å; I176-I187 HydrophobicContact CG2-CG2 3.8Å; L179-I187 HydrophobicContact CB-CD1 4.28Å; I187-I199 PolarHBondContact N-O 3.02Å; I187-I199 PolarHBondContact O-N 2.99Å; I187-I209 HydrophobicContact CB-CG1 4.3Å; I187-I209 HydrophobicContact CD1-CD1 4.33Å; I187-I209 HydrophobicContact CG1-CD1 3.95Å; I187-I209 HydrophobicContact CG1-CG1 3.81Å; I187-I209 HydrophobicContact CG2-CG1 4.29Å; I187-I211 HydrophobicContact CG2-CD1 4.11Å; I187-I211 HydrophobicContact CG2-CG1 4.23Å
188	E	98.1	Very high	95.3	Very high	16 Å²	16	35.4 Å²	35.4	8%	0.075	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	131.6	173.2	-178.4	177.9	-140.1	0	0	110.5	R64 S196 L197 I198 P208 I209 T210 I211	R64-E188 IonicContact CZ-OE1 3.74Å; R64-E188 IonicContact NH1-OE1 2.71Å; R64-E188 PolarHBondContact NH1-OE1 3.28Å; R64-E188 IonicContact NH1-OE2 3.17Å; R64-E188 PolarHBondContact NH1-OE2 3.08Å; R64-E188 IonicContact NH2-OE1 2.87Å; E188-S196 WeakPolarHBondContact OE1-CB 3.35Å; E188-S196 PolarHBondContact OE1-OG 3.32Å; E188-L197 CarbonylContact C-O 3.49Å; E188-L197 WeakPolarHBondContact CA-O 3.45Å; E188-I198 HydrophobicContact CB-CG1 4.27Å; E188-I198 HydrophobicContact CG-CG1 4.16Å; E188-P208 HydrophobicContact CB-CB 3.87Å; E188-P208 HydrophobicContact CB-CG 4.2Å; E188-I209 PolarHBondContact N-O 3.3Å; E188-T210 HydrophobicContact CB-CG2 4.45Å; E188-T210 HydrophobicContact CG-CG2 4.43Å; E188-T210 WeakPolarHBondContact O-CA 3.48Å; E188-T210 PolarHBondContact OE2-OG1 3.02Å; E188-I211 PolarHBondContact O-N 3.38Å
189	I	98.1	Very high	95.3	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.036	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	108.3	175.2	-50.6	171.6	0	0	0	108.1	I176 S196 L197 I199 I211 Y224	I176-I189 HydrophobicContact CD1-CD1 3.51Å; I176-I189 HydrophobicContact CD1-CG1 4.24Å; I176-I189 HydrophobicContact CG2-CD1 4.43Å; I189-S196 WeakPolarHBondContact O-CA 3.4Å; I189-L197 HydrophobicContact CB-CB 4.45Å; I189-L197 HydrophobicContact CD1-CD2 4.29Å; I189-L197 PolarHBondContact N-O 3.19Å; I189-L197 PolarHBondContact O-N 2.87Å; I189-L197 VanDerWaalsContact O-N 3.13Å; I189-I199 HydrophobicContact CD1-CD1 3.96Å; I189-I211 HydrophobicContact CG1-CD1 4.3Å; I189-I211 HydrophobicContact CG1-CG1 4.18Å; I189-Y224 HydrophobicContact CG2-CE1 4.27Å
190	L	97.6	Very high	95.3	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	135.1	167.3	-64	175.2	0	0	0	109.6	E60 L61 L66 T210 I211 V212 Y213	E60-L190 HydrophobicContact CG-CD2 4.15Å; L61-L190 HydrophobicContact CD2-CD1 3.71Å; L66-L190 HydrophobicContact CD1-CD1 4.12Å; L190-T210 HydrophobicContact CD1-CG2 3.45Å; L190-T210 VanDerWaalsContact CD1-CG2 3.45Å; L190-T210 HydrophobicContact CD2-CG2 4.49Å; L190-T210 HydrophobicContact CG-CG2 3.58Å; L190-I211 PolarHBondContact N-O 3.14Å; L190-V212 HydrophobicContact CB-CG2 4.43Å; L190-V212 HydrophobicContact CD1-CG2 4.5Å; L190-V212 CarbonylContact O-C 3.55Å; L190-V212 WeakPolarHBondContact O-CA 3.4Å; L190-Y213 PolarHBondContact O-N 3.42Å
191	Q	95.8	Very high	95.3	Very high	64 Å²	64	42.7 Å²	42.7	30%	0.299	24%	0.242	S	C	.	.			trans	-144.3	158.9	179.8	54.8	-178.1	-26.8	0	0	108.8	E193 V195 Y213	Q191-E193 VanDerWaalsContact C-N 3.28Å; Q191-E193 WeakPolarHBondContact CG-O 3.37Å; Q191-E193 PolarHBondContact O-N 3.42Å; Q191-V195 PolarHBondContact NE2-O 3.13Å; Q191-Y213 HydrophobicContact CB-CD1 4.07Å
192	A	94.2	Very high	95.4	Very high	18 Å²	18	45.7 Å²	45.7	15%	0.149	25%	0.254	C	S	.	.	S	Bend	trans	-71.7	-21.2	-176.1	0	0	0	0	0	114.3	E53 R56 L57	E53-A192 HydrophobicContact CB-CB 4.11Å; E53-A192 HydrophobicContact CG-CB 3.7Å; R56-A192 HydrophobicContact CB-CB 3.95Å; R56-A192 VanDerWaalsContact CD-O 3.32Å; R56-A192 WeakPolarHBondContact CD-O 3.49Å; L57-A192 HydrophobicContact CG-CB 4.08Å
193	E	89.1	Confident	95.5	Very high	99 Å²	99	46.6 Å²	46.6	46%	0.463	26%	0.257	S	S	.	.	S	Bend	trans	-121.6	134.2	-174.1	-58.6	-163.6	150.7	0	0	111.2	R56 Q191	R56-E193 IonicContact NH1-OE1 2.96Å; R56-E193 PolarHBondContact NH1-OE1 2.89Å; Q191-E193 VanDerWaalsContact C-N 3.28Å; Q191-E193 WeakPolarHBondContact CG-O 3.37Å; Q191-E193 PolarHBondContact O-N 3.42Å
194	G	89.8	Confident	95.3	Very high	76 Å²	76	51 Å²	51	78%	0.784	29%	0.288	S	S	*	.	S	Bend	trans	76.1	-166.1	-178.3	0	0	0	0	0	113.4
195	V	92.8	Very high	95.2	Very high	127 Å²	127	55 Å²	55	77%	0.77	31%	0.307	S	S	*	.	S	Bend	trans	-81	158.1	175.5	-63.9	0	0	0	0	110.5	Q191	Q191-V195 PolarHBondContact NE2-O 3.13Å
196	S	94.1	Very high	94.8	Very high	30 Å²	30	59.5 Å²	59.5	21%	0.21	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-62.7	140.8	169.3	52	0	0	0	0	110.2	R64 E188 I189	R64-S196 PolarHBondContact NH2-OG 2.73Å; E188-S196 WeakPolarHBondContact OE1-CB 3.35Å; E188-S196 PolarHBondContact OE1-OG 3.32Å; I189-S196 WeakPolarHBondContact O-CA 3.4Å
197	L	95.7	Very high	94.6	Very high	61 Å²	61	63.3 Å²	63.3	32%	0.319	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.7	177	177.5	61.3	0	0	0	108.7	E188 I189 I199	E188-L197 CarbonylContact C-O 3.49Å; E188-L197 WeakPolarHBondContact CA-O 3.45Å; I189-L197 HydrophobicContact CB-CB 4.45Å; I189-L197 HydrophobicContact CD1-CD2 4.29Å; I189-L197 PolarHBondContact N-O 3.19Å; I189-L197 PolarHBondContact O-N 2.87Å; I189-L197 VanDerWaalsContact O-N 3.13Å; L197-I199 HydrophobicContact CD2-CD1 4.08Å; L197-I199 HydrophobicContact CD2-CG1 4.15Å; L197-I199 HydrophobicContact CG-CD1 4.47Å; L197-I199 HydrophobicContact CG-CG1 4.01Å
198	I	97.4	Very high	94.5	Very high	59 Å²	59	65 Å²	65	30%	0.303	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	121.2	172.8	-57.4	176.9	0	0	0	107.9	P186 E188 E201	P186-I198 HydrophobicContact CB-CG2 4.1Å; E188-I198 HydrophobicContact CB-CG1 4.27Å; E188-I198 HydrophobicContact CG-CG1 4.16Å; I198-E201 HydrophobicContact CB-CG 4.13Å; I198-E201 HydrophobicContact CG2-CG 3.81Å
199	I	97.6	Very high	94.5	Very high	17 Å²	17	64.3 Å²	64.3	9%	0.087	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	129.6	174.9	-58.9	-174.1	0	0	0	107.9	Q173 I176 R177 S180 P186 I187 I189 L197	Q173-I199 HydrophobicContact CB-CD1 4.45Å; I176-I199 HydrophobicContact CB-CD1 4.1Å; I176-I199 HydrophobicContact CG2-CB 4.14Å; I176-I199 HydrophobicContact CG2-CD1 3.7Å; I176-I199 HydrophobicContact CG2-CG1 4.36Å; I176-I199 HydrophobicContact CG2-CG2 4.34Å; R177-I199 HydrophobicContact CB-CG2 3.98Å; S180-I199 PolarHBondContact OG-O 3.39Å; P186-I199 CarbonylContact C-O 3.56Å; P186-I199 WeakPolarHBondContact CA-O 2.84Å; I187-I199 PolarHBondContact N-O 3.02Å; I187-I199 PolarHBondContact O-N 2.99Å; I189-I199 HydrophobicContact CD1-CD1 3.96Å; L197-I199 HydrophobicContact CD2-CD1 4.08Å; L197-I199 HydrophobicContact CD2-CG1 4.15Å; L197-I199 HydrophobicContact CG-CD1 4.47Å; L197-I199 HydrophobicContact CG-CG1 4.01Å
200	G	97.2	Very high	94.5	Very high	2 Å²	2	64.6 Å²	64.6	2%	0.021	36%	0.362	C	S	.	.			trans	89	35.7	-177.3	0	0	0	0	0	114	S180 P186 E202 F203	S180-G200 VanDerWaalsContact OG-CA 3.25Å; S180-G200 WeakPolarHBondContact OG-CA 3.42Å; P186-G200 WeakPolarHBondContact CB-O 3.44Å; G200-E202 WeakPolarHBondContact CA-OE2 3.43Å; G200-E202 PolarHBondContact O-N 3.25Å; G200-E202 VanDerWaalsContact O-N 3.1Å; G200-F203 WeakPolarHBondContact O-CB 3.18Å; G200-F203 WeakPolarHBondContact O-CD2 3.49Å; G200-F203 PolarHBondContact O-N 3.22Å
201	E	96.3	Very high	94.5	Very high	134 Å²	134	64.5 Å²	64.5	63%	0.626	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-56.2	-23.7	178.6	-63.4	-175	160	0	0	112.8	I198 F203 S204	I198-E201 HydrophobicContact CB-CG 4.13Å; I198-E201 HydrophobicContact CG2-CG 3.81Å; E201-F203 PolarHBondContact O-N 3.35Å; E201-S204 WeakPolarHBondContact O-CB 3.44Å; E201-S204 PolarHBondContact O-N 3.24Å
202	E	96.9	Very high	94.6	Very high	101 Å²	101	61.4 Å²	61.4	47%	0.472	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-62.4	-19.7	172.5	64.8	-94.8	-134.4	0	0	113.8	R177 G200 S204	R177-E202 IonicContact CZ-OE1 2.71Å; R177-E202 IonicContact NH1-OE1 3.16Å; R177-E202 PolarHBondContact NH1-OE1 3.13Å; R177-E202 IonicContact NH1-OE2 2.84Å; R177-E202 PolarHBondContact NH1-OE2 2.93Å; R177-E202 IonicContact NH2-OE1 2.83Å; R177-E202 PolarHBondContact NH2-OE1 3.37Å; G200-E202 WeakPolarHBondContact CA-OE2 3.43Å; G200-E202 PolarHBondContact O-N 3.25Å; G200-E202 VanDerWaalsContact O-N 3.1Å; E202-S204 VanDerWaalsContact C-N 3.3Å; E202-S204 PolarHBondContact O-N 2.64Å
203	F	95.5	Very high	94.7	Very high	40 Å²	40	62 Å²	62	18%	0.175	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-95.1	32.5	178.6	-53.2	-61.3	0	0	0	112.6	T181 Q184 P186 G200 E201 E205 Q206	T181-F203 HydrophobicContact CG2-CZ 4.36Å; Q184-F203 HydrophobicContact CB-CD1 3.85Å; Q184-F203 HydrophobicContact CB-CE1 4.02Å; Q184-F203 HydrophobicContact CB-CG 4.41Å; Q184-F203 HydrophobicContact CG-CD1 4.23Å; Q184-F203 HydrophobicContact CG-CE1 3.89Å; Q184-F203 HydrophobicContact CG-CZ 4.47Å; P186-F203 WeakPolarHBondContact CD-O 3.19Å; G200-F203 WeakPolarHBondContact O-CB 3.18Å; G200-F203 WeakPolarHBondContact O-CD2 3.49Å; G200-F203 PolarHBondContact O-N 3.22Å; E201-F203 PolarHBondContact O-N 3.35Å; F203-E205 PolarHBondContact O-N 2.76Å; F203-Q206 PolarHBondContact O-N 2.9Å
204	S	90.1	Very high	95	Very high	97 Å²	97	57.3 Å²	57.3	68%	0.678	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-5.3	-174.2	55.7	0	0	0	0	115.9	E201 E202 Q206	E201-S204 WeakPolarHBondContact O-CB 3.44Å; E201-S204 PolarHBondContact O-N 3.24Å; E202-S204 VanDerWaalsContact C-N 3.3Å; E202-S204 PolarHBondContact O-N 2.64Å; S204-Q206 PolarHBondContact O-N 3.38Å
205	E	90.9	Very high	95	Very high	195 Å²	195	59.7 Å²	59.7	91%	0.911	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.8	172.3	-63.5	-173	171.1	0	0	112.5	F203	F203-E205 PolarHBondContact O-N 2.76Å
206	Q	87.7	Confident	94.8	Very high	101 Å²	101	57.5 Å²	57.5	47%	0.472	29%	0.288	S	S	.	.	S	Bend	trans	-121.8	141.8	174.5	-63.7	-174.9	58.5	0	0	110.9	L185 P186 F203 S204	L185-Q206 HydrophobicContact CD2-CB 3.87Å; L185-Q206 HydrophobicContact CD2-CG 4.31Å; P186-Q206 WeakPolarHBondContact CG-O 3.36Å; F203-Q206 PolarHBondContact O-N 2.9Å; S204-Q206 PolarHBondContact O-N 3.38Å
207	P	93.3	Very high	94.1	Very high	84 Å²	84	56.2 Å²	56.2	55%	0.545	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-62.3	145.8	173.5	26.3	-34.8	0	0	0	110.9
208	P	96.6	Very high	93.2	Very high	35 Å²	35	55.1 Å²	55.1	23%	0.227	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-60.6	148.3	-176.2	23.3	-32.8	0	0	0	112.3	R89 P186 E188	R89-P208 PolarHBondContact NH2-O 3.03Å; P186-P208 HydrophobicContact CB-CB 4.01Å; P186-P208 HydrophobicContact CG-CB 4.16Å; P186-P208 CarbonylContact O-C 3.57Å; P186-P208 WeakPolarHBondContact O-CA 3.42Å; E188-P208 HydrophobicContact CB-CB 3.87Å; E188-P208 HydrophobicContact CB-CG 4.2Å
209	I	97.4	Very high	92	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	144.5	156.5	63.7	173.3	0	0	0	108.7	I82 Q85 L86 R89 L185 P186 I187 E188	I82-I209 HydrophobicContact CG2-CD1 4.03Å; Q85-I209 HydrophobicContact CB-CB 3.81Å; Q85-I209 HydrophobicContact CB-CD1 4.05Å; Q85-I209 HydrophobicContact CB-CG1 4.43Å; Q85-I209 HydrophobicContact CB-CG2 4.13Å; Q85-I209 HydrophobicContact CG-CB 4.07Å; L86-I209 HydrophobicContact CD2-CD1 4.4Å; R89-I209 HydrophobicContact CG-CG2 4.08Å; L185-I209 HydrophobicContact CD1-CG2 4.33Å; P186-I209 PolarHBondContact O-N 3.48Å; I187-I209 HydrophobicContact CB-CG1 4.3Å; I187-I209 HydrophobicContact CD1-CD1 4.33Å; I187-I209 HydrophobicContact CG1-CD1 3.95Å; I187-I209 HydrophobicContact CG1-CG1 3.81Å; I187-I209 HydrophobicContact CG2-CG1 4.29Å; E188-I209 PolarHBondContact N-O 3.3Å
210	T	98.1	Very high	90.8	Very high	12 Å²	12	55.7 Å²	55.7	7%	0.074	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127	-172.5	-53.1	0	0	0	0	110.1	L66 Q85 E188 L190 C227	L66-T210 HydrophobicContact CD1-CG2 4.41Å; Q85-T210 WeakPolarHBondContact CG-O 3.48Å; Q85-T210 PolarHBondContact NE2-O 3.23Å; Q85-T210 PolarHBondContact OE1-O 2.91Å; E188-T210 HydrophobicContact CB-CG2 4.45Å; E188-T210 HydrophobicContact CG-CG2 4.43Å; E188-T210 WeakPolarHBondContact O-CA 3.48Å; E188-T210 PolarHBondContact OE2-OG1 3.02Å; L190-T210 HydrophobicContact CD1-CG2 3.45Å; L190-T210 VanDerWaalsContact CD1-CG2 3.45Å; L190-T210 HydrophobicContact CD2-CG2 4.49Å; L190-T210 HydrophobicContact CG-CG2 3.58Å; T210-C227 PolarHBondContact O-SG 2.82Å; T210-C227 VanDerWaalsContact O-SG 3.34Å
211	I	98.4	Very high	90.2	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	159.5	172	63.2	175.7	0	0	0	109.5	L78 I82 Q85 I176 I187 E188 I189 L190 Y224	L78-I211 HydrophobicContact CD1-CD1 3.91Å; I82-I211 HydrophobicContact CG1-CD1 4.36Å; I82-I211 HydrophobicContact CG1-CG2 4.14Å; Q85-I211 HydrophobicContact CG-CG2 4.08Å; I176-I211 HydrophobicContact CD1-CD1 4.12Å; I187-I211 HydrophobicContact CG2-CD1 4.11Å; I187-I211 HydrophobicContact CG2-CG1 4.23Å; E188-I211 PolarHBondContact O-N 3.38Å; I189-I211 HydrophobicContact CG1-CD1 4.3Å; I189-I211 HydrophobicContact CG1-CG1 4.18Å; L190-I211 PolarHBondContact N-O 3.14Å; I211-Y224 HydrophobicContact CD1-CD1 3.76Å; I211-Y224 HydrophobicContact CD1-CE1 4.07Å; I211-Y224 HydrophobicContact CG1-CD1 4.36Å
212	V	98	Very high	89.9	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.4	-175.8	-174	0	0	0	0	108.9	L57 L61 L68 L190 Y224 N225 C227	L57-V212 HydrophobicContact CD1-CG1 3.87Å; L57-V212 HydrophobicContact CD2-CG1 3.74Å; L57-V212 HydrophobicContact CG-CG1 4.33Å; L61-V212 HydrophobicContact CD2-CG2 4.03Å; L68-V212 HydrophobicContact CD1-CB 3.98Å; L68-V212 HydrophobicContact CD1-CG1 4Å; L68-V212 HydrophobicContact CD1-CG2 3.95Å; L190-V212 HydrophobicContact CB-CG2 4.43Å; L190-V212 HydrophobicContact CD1-CG2 4.5Å; L190-V212 CarbonylContact O-C 3.55Å; L190-V212 WeakPolarHBondContact O-CA 3.4Å; V212-Y224 CarbonylContact O-C 3.49Å; V212-Y224 WeakPolarHBondContact O-CA 3.48Å; V212-N225 HydrophobicContact CB-CB 4.3Å; V212-N225 PolarHBondContact N-O 3.22Å; V212-N225 PolarHBondContact O-N 3.18Å; V212-C227 HydrophobicContact CG2-CB 4.24Å
213	Y	97	Very high	89.8	Confident	30 Å²	30	50.7 Å²	50.7	12%	0.118	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	130.4	175.6	171.1	-101.1	0	0	0	110.3	L190 Q191 R215 E222 Y224	L190-Y213 PolarHBondContact O-N 3.42Å; Q191-Y213 HydrophobicContact CB-CD1 4.07Å; Y213-R215 HydrophobicContact CE1-CB 3.93Å; Y213-E222 HydrophobicContact CE2-CB 3.99Å; Y213-E222 HydrophobicContact CE2-CG 4.13Å; Y213-E222 WeakPolarHBondContact OH-CG 3.35Å; Y213-E222 PolarHBondContact OH-OE1 2.8Å; Y213-Y224 HydrophobicContact CD2-CD1 4.26Å; Y213-Y224 AromaticContact CD2-CE1 3.69Å; Y213-Y224 HydrophobicContact CD2-CE1 3.69Å; Y213-Y224 HydrophobicContact CD2-CE2 4.13Å; Y213-Y224 AromaticContact CD2-CZ 3.61Å; Y213-Y224 HydrophobicContact CG-CE1 4.17Å
214	H	94.9	Very high	89.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.8	175.3	-59	-93	0	0	0	108.6	L57 A217 F218 E222 H223 N225	L57-H214 WeakPolarHBondContact CD1-ND1 3.06Å; H214-A217 HydrophobicContact CB-CB 3.99Å; H214-F218 HydrophobicContact CB-CD2 3.73Å; H214-F218 HydrophobicContact CB-CE2 3.98Å; H214-F218 AromaticContact CD2-CE2 3.65Å; H214-F218 AromaticContact CG-CD2 3.9Å; H214-F218 AromaticContact CG-CE2 3.58Å; H214-F218 AromaticContact ND1-CE2 3.89Å; H214-F218 AromaticContact NE2-CE2 3.97Å; H214-E222 CarbonylContact O-C 3.33Å; H214-E222 VanDerWaalsContact O-CA 3.27Å; H214-E222 WeakPolarHBondContact O-CA 3.4Å; H214-H223 HydrophobicContact CB-CB 4.45Å; H214-H223 PolarHBondContact N-O 3.31Å; H214-H223 PolarHBondContact O-N 3.13Å; H214-N225 PolarHBondContact CD2-ND2 2.81Å; H214-N225 PolarHBondContact NE2-ND2 3.29Å
215	R	90.4	Very high	90.2	Very high	126 Å²	126	45 Å²	45	48%	0.475	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	-31	176.9	-170.1	172.5	-174.9	-179.5	5	112.3	E53 Y213	E53-R215 WeakPolarHBondContact OE1-CA 3.34Å; E53-R215 WeakPolarHBondContact OE1-CB 3.47Å; E53-R215 PolarHBondContact OE1-N 3.42Å; E53-R215 PolarHBondContact OE2-N 3.19Å; Y213-R215 HydrophobicContact CE1-CB 3.93Å
216	Y	86.9	Confident	90.6	Very high	82 Å²	82	35.8 Å²	35.8	32%	0.322	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	-15.6	-171	-54.1	-64.8	0	0	0	113.9	L49 E53 F218	L49-Y216 HydrophobicContact CB-CD1 4.29Å; L49-Y216 HydrophobicContact CB-CD2 4Å; L49-Y216 HydrophobicContact CB-CE2 4.42Å; L49-Y216 HydrophobicContact CB-CG 3.92Å; L49-Y216 HydrophobicContact CD1-CD1 4.29Å; L49-Y216 HydrophobicContact CD1-CE1 4.05Å; E53-Y216 HydrophobicContact CB-CD2 4.47Å; E53-Y216 PolarHBondContact OE1-N 3Å; E53-Y216 PolarHBondContact OE2-N 3.45Å; Y216-F218 VanDerWaalsContact C-N 3.32Å; Y216-F218 PolarHBondContact O-N 3.21Å
217	A	79.6	Confident	91.1	Very high	3 Å²	3	31 Å²	31	3%	0.025	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-22.6	-169.9	0	0	0	0	0	114.5	R50 E53 M54 H214	R50-A217 PolarHBondContact NE-O 2.96Å; E53-A217 VanDerWaalsContact OE2-CB 3.24Å; E53-A217 WeakPolarHBondContact OE2-CB 3.42Å; E53-A217 PolarHBondContact OE2-N 3.41Å; M54-A217 HydrophobicContact CG-CB 4.04Å; M54-A217 HydrophobicContact SD-CB 3.72Å; H214-A217 HydrophobicContact CB-CB 3.99Å
218	F	78.2	Confident	91.2	Very high	38 Å²	38	30 Å²	30	17%	0.167	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	146.3	-171.4	-72.3	-93.4	0	0	0	112.4	S73 H214 Y216 L220 G221 H223 N225	S73-F218 WeakPolarHBondContact OG-CD1 3.47Å; S73-F218 WeakPolarHBondContact OG-CE1 3.48Å; H214-F218 HydrophobicContact CB-CD2 3.73Å; H214-F218 HydrophobicContact CB-CE2 3.98Å; H214-F218 AromaticContact CD2-CE2 3.65Å; H214-F218 AromaticContact CG-CD2 3.9Å; H214-F218 AromaticContact CG-CE2 3.58Å; H214-F218 AromaticContact ND1-CE2 3.89Å; H214-F218 AromaticContact NE2-CE2 3.97Å; Y216-F218 VanDerWaalsContact C-N 3.32Å; Y216-F218 PolarHBondContact O-N 3.21Å; F218-L220 VanDerWaalsContact C-N 3.25Å; F218-L220 PolarHBondContact O-N 3.16Å; F218-G221 PolarHBondContact O-N 3.1Å; F218-H223 HydrophobicContact CB-CB 3.74Å; F218-H223 HydrophobicContact CD1-CB 4.28Å; F218-H223 AromaticContact CD1-CD2 3.82Å; F218-H223 AromaticContact CD1-CG 3.87Å; F218-H223 HydrophobicContact CD2-CB 3.48Å; F218-H223 VanDerWaalsContact CD2-CB 3.48Å; F218-H223 AromaticContact CD2-CD2 3.51Å; F218-H223 AromaticContact CD2-CG 3.68Å; F218-H223 AromaticContact CE1-CD2 3.66Å; F218-H223 AromaticContact CE1-NE2 3.85Å; F218-H223 HydrophobicContact CE2-CB 4.22Å; F218-H223 AromaticContact CE2-CD2 3.36Å; F218-H223 WeakPolarHBondContact CE2-CD2 3.31Å; F218-H223 HydrophobicContact CG-CB 3.54Å; F218-H223 AromaticContact CG-CD2 3.77Å; F218-H223 AromaticContact CG-CG 3.63Å; F218-H223 AromaticContact CZ-CD2 3.45Å; F218-H223 VanDerWaalsContact CZ-CD2 3.45Å; F218-H223 WeakPolarHBondContact CZ-CD2 3.19Å; F218-H223 AromaticContact CZ-NE2 3.88Å; F218-N225 WeakPolarHBondContact CE2-ND2 3.34Å; F218-N225 WeakPolarHBondContact CZ-ND2 3.35Å
219	A	71.3	Confident	91.1	Very high	31 Å²	31	34.9 Å²	34.9	26%	0.256	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-38.4	-171.6	0	0	0	0	0	111.8	A37 L38 I41 G221	A37-A219 VanDerWaalsContact CB-C 3.46Å; A37-A219 HydrophobicContact CB-CB 3.26Å; A37-A219 WeakPolarHBondContact CB-O 3.38Å; L38-A219 HydrophobicContact CD2-CB 4.29Å; L38-A219 HydrophobicContact CG-CB 4.38Å; I41-A219 HydrophobicContact CD1-CB 3.7Å; A219-G221 PolarHBondContact O-N 2.98Å
220	L	73.3	Confident	90.7	Very high	57 Å²	57	39.1 Å²	39.1	30%	0.298	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	5.4	-178.5	-60.6	177.7	0	0	0	113.2	Q34 W170 F218	Q34-L220 HydrophobicContact CB-CD2 4.46Å; W170-L220 WeakPolarHBondContact CH2-O 3.48Å; W170-L220 HydrophobicContact CZ2-CB 4.46Å; F218-L220 VanDerWaalsContact C-N 3.25Å; F218-L220 PolarHBondContact O-N 3.16Å
221	G	84.2	Confident	89.8	Confident	28 Å²	28	47.7 Å²	47.7	29%	0.289	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	100.6	-130.5	-177.9	0	0	0	0	0	111.8	F218 A219	F218-G221 PolarHBondContact O-N 3.1Å; A219-G221 PolarHBondContact O-N 2.98Å
222	E	90.3	Very high	88.7	Confident	99 Å²	99	51.6 Å²	51.6	46%	0.463	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	139.3	-177.2	-59.5	-177.4	147.4	0	0	111.7	Y213 H214	Y213-E222 HydrophobicContact CE2-CB 3.99Å; Y213-E222 HydrophobicContact CE2-CG 4.13Å; Y213-E222 WeakPolarHBondContact OH-CG 3.35Å; Y213-E222 PolarHBondContact OH-OE1 2.8Å; H214-E222 CarbonylContact O-C 3.33Å; H214-E222 VanDerWaalsContact O-CA 3.27Å; H214-E222 WeakPolarHBondContact O-CA 3.4Å
223	H	94.3	Very high	86.9	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.019	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	144.4	-177.4	-179.4	75.5	0	0	0	111.1	C77 H214 F218 N225	C77-H223 WeakPolarHBondContact CB-CE1 3.32Å; C77-H223 WeakPolarHBondContact CB-ND1 3.46Å; H214-H223 HydrophobicContact CB-CB 4.45Å; H214-H223 PolarHBondContact N-O 3.31Å; H214-H223 PolarHBondContact O-N 3.13Å; F218-H223 HydrophobicContact CB-CB 3.74Å; F218-H223 HydrophobicContact CD1-CB 4.28Å; F218-H223 AromaticContact CD1-CD2 3.82Å; F218-H223 AromaticContact CD1-CG 3.87Å; F218-H223 HydrophobicContact CD2-CB 3.48Å; F218-H223 VanDerWaalsContact CD2-CB 3.48Å; F218-H223 AromaticContact CD2-CD2 3.51Å; F218-H223 AromaticContact CD2-CG 3.68Å; F218-H223 AromaticContact CE1-CD2 3.66Å; F218-H223 AromaticContact CE1-NE2 3.85Å; F218-H223 HydrophobicContact CE2-CB 4.22Å; F218-H223 AromaticContact CE2-CD2 3.36Å; F218-H223 WeakPolarHBondContact CE2-CD2 3.31Å; F218-H223 HydrophobicContact CG-CB 3.54Å; F218-H223 AromaticContact CG-CD2 3.77Å; F218-H223 AromaticContact CG-CG 3.63Å; F218-H223 AromaticContact CZ-CD2 3.45Å; F218-H223 VanDerWaalsContact CZ-CD2 3.45Å; F218-H223 WeakPolarHBondContact CZ-CD2 3.19Å; F218-H223 AromaticContact CZ-NE2 3.88Å; H223-N225 PolarHBondContact CD2-ND2 3.46Å; H223-N225 PolarHBondContact CD2-OD1 2.94Å; H223-N225 PolarHBondContact NE2-OD1 3.36Å
224	Y	97	Very high	84.6	Confident	19 Å²	19	66.9 Å²	66.9	8%	0.075	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.8	172.9	-70.1	-85.6	0	0	0	110.6	V71 L78 I176 I189 I211 V212 Y213	V71-Y224 WeakPolarHBondContact CG2-O 3.5Å; L78-Y224 HydrophobicContact CB-CD2 3.86Å; L78-Y224 HydrophobicContact CB-CE2 4.39Å; L78-Y224 HydrophobicContact CB-CG 4.34Å; L78-Y224 HydrophobicContact CD1-CD1 4.22Å; L78-Y224 HydrophobicContact CD1-CD2 4.05Å; L78-Y224 HydrophobicContact CD1-CE1 4.36Å; L78-Y224 HydrophobicContact CD1-CE2 4.2Å; L78-Y224 HydrophobicContact CD1-CG 4.05Å; L78-Y224 HydrophobicContact CG-CD2 4.5Å; I176-Y224 HydrophobicContact CD1-CE1 4.04Å; I189-Y224 HydrophobicContact CG2-CE1 4.27Å; I211-Y224 HydrophobicContact CD1-CD1 3.76Å; I211-Y224 HydrophobicContact CD1-CE1 4.07Å; I211-Y224 HydrophobicContact CG1-CD1 4.36Å; V212-Y224 CarbonylContact O-C 3.49Å; V212-Y224 WeakPolarHBondContact O-CA 3.48Å; Y213-Y224 HydrophobicContact CD2-CD1 4.26Å; Y213-Y224 AromaticContact CD2-CE1 3.69Å; Y213-Y224 HydrophobicContact CD2-CE1 3.69Å; Y213-Y224 HydrophobicContact CD2-CE2 4.13Å; Y213-Y224 AromaticContact CD2-CZ 3.61Å; Y213-Y224 HydrophobicContact CG-CE1 4.17Å
225	N	97.6	Very high	84	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	170.1	167.9	-80.5	-41.3	0	0	0	110.7	L68 F69 E70 V71 S81 V212 H214 F218 H223	L68-N225 HydrophobicContact CD1-CB 3.74Å; L68-N225 HydrophobicContact CG-CB 4.49Å; F69-N225 WeakPolarHBondContact O-CB 3.48Å; E70-N225 VanDerWaalsContact CA-OD1 3.31Å; E70-N225 WeakPolarHBondContact CA-OD1 3.33Å; V71-N225 PolarHBondContact N-OD1 3.48Å; S81-N225 VanDerWaalsContact CB-C 3.49Å; S81-N225 VanDerWaalsContact CB-O 3.31Å; S81-N225 WeakPolarHBondContact CB-O 3.32Å; V212-N225 HydrophobicContact CB-CB 4.3Å; V212-N225 PolarHBondContact N-O 3.22Å; V212-N225 PolarHBondContact O-N 3.18Å; H214-N225 PolarHBondContact CD2-ND2 2.81Å; H214-N225 PolarHBondContact NE2-ND2 3.29Å; F218-N225 WeakPolarHBondContact CE2-ND2 3.34Å; F218-N225 WeakPolarHBondContact CZ-ND2 3.35Å; H223-N225 PolarHBondContact CD2-ND2 3.46Å; H223-N225 PolarHBondContact CD2-OD1 2.94Å; H223-N225 PolarHBondContact NE2-OD1 3.36Å
226	S	98.2	Very high	83.7	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-179.7	172.2	-147.6	0	0	0	0	109.9	F69 S81 H84 Q85	F69-S226 PolarHBondContact N-O 3.28Å; F69-S226 PolarHBondContact O-N 3Å; S81-S226 PolarHBondContact O-OG 3.42Å; H84-S226 WeakPolarHBondContact ND1-CB 3.46Å; H84-S226 PolarHBondContact ND1-OG 2.83Å; Q85-S226 WeakPolarHBondContact CG-OG 3.41Å; Q85-S226 PolarHBondContact NE2-OG 3.19Å
227	C	97.7	Very high	83.5	Confident	2 Å²	2	66.5 Å²	66.5	1%	0.014	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	160.5	169.8	60	0	0	0	0	111.9	L61 L66 C67 Q85 T210 V212	L61-C227 HydrophobicContact CD2-CB 3.92Å; L66-C227 HydrophobicContact CB-CB 4.39Å; C67-C227 CarbonylContact O-C 3.45Å; C67-C227 WeakPolarHBondContact O-CA 3.44Å; C67-C227 WeakPolarHBondContact O-CB 3.49Å; Q85-C227 PolarHBondContact NE2-O 2.82Å; T210-C227 PolarHBondContact O-SG 2.82Å; T210-C227 VanDerWaalsContact O-SG 3.34Å; V212-C227 HydrophobicContact CG2-CB 4.24Å
228	L	96.1	Very high	83.8	Confident	62 Å²	62	70.2 Å²	70.2	33%	0.325	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.8	177.6	-70.2	167.8	0	0	0	109.6	L66 C67 F69 H84 I88 K230	L66-L228 CarbonylContact C-O 3.57Å; L66-L228 WeakPolarHBondContact CA-O 3.32Å; C67-L228 PolarHBondContact N-O 3.07Å; C67-L228 PolarHBondContact O-N 3.38Å; F69-L228 HydrophobicContact CB-CD1 4.23Å; F69-L228 HydrophobicContact CB-CG 4.19Å; F69-L228 HydrophobicContact CD2-CD1 3.73Å; F69-L228 HydrophobicContact CD2-CG 4.4Å; F69-L228 HydrophobicContact CG-CD1 4.34Å; H84-L228 VanDerWaalsContact CE1-CD2 3.46Å; H84-L228 WeakPolarHBondContact CE1-CD2 3.48Å; I88-L228 HydrophobicContact CD1-CD2 4.03Å; I88-L228 HydrophobicContact CG2-CD2 3.78Å; L228-K230 PolarHBondContact O-N 2.8Å
229	K	94	Very high	84.1	Confident	137 Å²	137	72.3 Å²	72.3	60%	0.596	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	134.2	164.9	-73.8	-169	172.4	-169.3	0	109.3	Q231 Q234	K229-Q231 PolarHBondContact O-N 3.39Å; K229-Q234 PolarHBondContact NZ-OXT 3.39Å
230	K	88.6	Confident	85	Confident	91 Å²	91	75 Å²	75	40%	0.396	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-65.9	130.1	171.5	-170	171.8	-175.6	177.9	0	108.6	H65 L228 G232 F233	H65-K230 VanDerWaalsContact O-CB 3.29Å; H65-K230 WeakPolarHBondContact O-CB 3.34Å; H65-K230 PolarHBondContact O-N 3.22Å; L228-K230 PolarHBondContact O-N 2.8Å; K230-G232 PolarHBondContact O-N 3.38Å; K230-F233 PolarHBondContact O-N 3.21Å
231	Q	79.7	Confident	85.8	Confident	192 Å²	192	76.3 Å²	76.3	90%	0.897	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	137.2	179	-66.3	-175.2	-10.4	0	0	110.7	K229	K229-Q231 PolarHBondContact O-N 3.39Å
232	G	75.5	Confident	85.9	Confident	82 Å²	82	80 Å²	80	85%	0.845	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.4	-3.8	179.1	0	0	0	0	0	116	K230	K230-G232 PolarHBondContact O-N 3.38Å
233	F	60.2	Low	85.6	Confident	109 Å²	109	78.4 Å²	78.4	48%	0.478	40%	0.398	S	S	.	.			trans	-116.2	116.3	171.3	-71	-96.7	0	0	0	108.8	H65 K230	H65-F233 HydrophobicContact CB-CB 4.06Å; H65-F233 HydrophobicContact CB-CD1 4.35Å; H65-F233 HydrophobicContact CB-CD2 4.28Å; H65-F233 HydrophobicContact CB-CG 3.98Å; H65-F233 AromaticContact CD2-CD1 3.8Å; H65-F233 AromaticContact CD2-CE1 3.64Å; H65-F233 AromaticContact CD2-CZ 3.82Å; H65-F233 AromaticContact CE1-CD1 3.61Å; H65-F233 AromaticContact CE1-CE1 3.61Å; H65-F233 AromaticContact CG-CD1 3.65Å; H65-F233 AromaticContact CG-CE1 3.99Å; H65-F233 AromaticContact CG-CG 3.77Å; H65-F233 AromaticContact ND1-CD1 3.53Å; H65-F233 AromaticContact ND1-CE1 3.97Å; H65-F233 AromaticContact NE2-CD1 3.78Å; H65-F233 AromaticContact NE2-CE1 3.38Å; H65-F233 WeakPolarHBondContact NE2-CE1 3.46Å; H65-F233 AromaticContact NE2-CZ 3.86Å; K230-F233 PolarHBondContact O-N 3.21Å
234	Q	48.2	Very low	84.8	Confident	243 Å²	243	85.2 Å²	85.2	100%	1.136	43%	0.433	S	S	*	.			trans	-94.2	0	177.2	-74.3	-171.3	-5.6	0	0	110.7	K229	K229-Q234 PolarHBondContact NZ-OXT 3.39Å

Retrieved 234 of 234 residues in 53.3 ms (Link to these results)

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