G4VSZ7_SCHMA Loading...

Small ribosomal subunit protein uS2m

Required for mitoribosome formation and stability, and mitochondrial translation.

AlphaFold DB , UniProt , Accession G4VSZ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 255 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	49	Very low	44.9	Very low	216 Å²	216	139.6 Å²	139.6	100%	1.064	66%	0.66	S	S	*	*				0	-39.4	0	-89.6	177.5	-170.4	0	0	113.3	Y3 K4 T5	M1-Y3 PolarHBondContact O-N 3.15Å; M1-K4 PolarHBondContact O-N 3.19Å; M1-T5 PolarHBondContact O-OG1 3.18Å
2	L	44.6	Very low	44.7	Very low	144 Å²	144	142.3 Å²	142.3	75%	0.754	67%	0.667	S	S	*	*	H	α-helix	trans	-54.8	-40.2	-179	-78.6	151.4	0	0	0	115.4	K4 T5 L6	L2-K4 PolarHBondContact O-N 2.97Å; L2-T5 PolarHBondContact O-N 3.32Å; L2-L6 PolarHBondContact O-N 3.46Å; L2-L6 VanDerWaalsContact O-N 3.17Å
3	Y	37.3	Very low	44.5	Very low	193 Å²	193	137.9 Å²	137.9	76%	0.757	66%	0.656	S	S	*	*	H	α-helix	trans	-65.9	-33.9	-178.6	-131.4	-90.9	0	0	0	113.7	M1 T5 L7	M1-Y3 PolarHBondContact O-N 3.15Å; Y3-T5 VanDerWaalsContact C-N 3.32Å; Y3-L7 HydrophobicContact CD1-CD1 3.93Å; Y3-L7 HydrophobicContact CE1-CD1 4.11Å; Y3-L7 PolarHBondContact O-N 3.15Å
4	K	39	Very low	44.4	Very low	172 Å²	172	137.6 Å²	137.6	75%	0.748	65%	0.651	S	S	*	*	H	α-helix	trans	-71.8	-27.2	176.4	-85.2	-175.2	175	178.8	0	112.2	M1 L2 K8	M1-K4 PolarHBondContact O-N 3.19Å; L2-K4 PolarHBondContact O-N 2.97Å; K4-K8 WeakPolarHBondContact O-CB 3.44Å; K4-K8 WeakPolarHBondContact O-CG 3.33Å; K4-K8 PolarHBondContact O-N 3.16Å
5	T	49.1	Very low	43.9	Very low	95 Å²	95	135.3 Å²	135.3	58%	0.583	64%	0.643	S	S	*	*	H	α-helix	trans	-79.2	-42	-179.8	-35.8	0	0	0	0	111.4	M1 L2 Y3 K8 S9	M1-T5 PolarHBondContact O-OG1 3.18Å; L2-T5 PolarHBondContact O-N 3.32Å; Y3-T5 VanDerWaalsContact C-N 3.32Å; T5-K8 PolarHBondContact O-N 3.25Å; T5-S9 PolarHBondContact O-N 3.14Å
6	L	44.1	Very low	43.6	Very low	105 Å²	105	136.8 Å²	136.8	55%	0.55	65%	0.647	S	S	.	*	H	α-helix	trans	-63.3	-44.9	174.8	-89.1	158.2	0	0	0	112.1	L2 K8 S9 Y10	L2-L6 PolarHBondContact O-N 3.46Å; L2-L6 VanDerWaalsContact O-N 3.17Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 3.24Å; L6-S9 PolarHBondContact O-N 3.31Å; L6-Y10 PolarHBondContact O-N 2.88Å
7	L	47	Very low	43.3	Very low	84 Å²	84	135.1 Å²	135.1	44%	0.44	64%	0.642	S	S	.	*	H	α-helix	trans	-62.7	-39.4	175.9	-115.3	116.3	0	0	0	112.2	Y3 Y11	Y3-L7 HydrophobicContact CD1-CD1 3.93Å; Y3-L7 HydrophobicContact CE1-CD1 4.11Å; Y3-L7 PolarHBondContact O-N 3.15Å; L7-Y11 HydrophobicContact CD2-CD2 4.02Å; L7-Y11 HydrophobicContact CD2-CE2 3.79Å; L7-Y11 WeakPolarHBondContact O-CB 3.44Å; L7-Y11 WeakPolarHBondContact O-CD2 3.38Å; L7-Y11 PolarHBondContact O-N 2.88Å
8	K	44.2	Very low	42.8	Very low	163 Å²	163	138.1 Å²	138.1	71%	0.709	65%	0.646	S	S	*	*	H	α-helix	trans	-65	-38	175.4	-86.8	-176.3	175.7	-175.7	0	112.4	K4 T5 L6 K12	K4-K8 WeakPolarHBondContact O-CB 3.44Å; K4-K8 WeakPolarHBondContact O-CG 3.33Å; K4-K8 PolarHBondContact O-N 3.16Å; T5-K8 PolarHBondContact O-N 3.25Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 3.24Å; K8-K12 VanDerWaalsContact O-CB 3.32Å; K8-K12 WeakPolarHBondContact O-CB 3.49Å; K8-K12 PolarHBondContact O-N 2.93Å
9	S	43.5	Very low	42.5	Very low	73 Å²	73	139 Å²	139	51%	0.51	65%	0.647	S	S	.	*	H	α-helix	trans	-65.1	-49.2	177	-166.4	0	0	0	0	111.2	T5 L6 Y11 K12 T13	T5-S9 PolarHBondContact O-N 3.14Å; L6-S9 PolarHBondContact O-N 3.31Å; S9-Y11 PolarHBondContact O-N 3.45Å; S9-K12 PolarHBondContact O-N 2.77Å; S9-T13 PolarHBondContact O-N 2.78Å; S9-T13 VanDerWaalsContact O-N 3.09Å; S9-T13 PolarHBondContact O-OG1 3.01Å
10	Y	49.3	Very low	42.2	Very low	159 Å²	159	139.2 Å²	139.2	62%	0.624	65%	0.653	S	S	*	*	H	α-helix	trans	-62.4	-43.8	177.2	-98	-91	0	0	0	112.9	L6 K12 T13 F14	L6-Y10 PolarHBondContact O-N 2.88Å; Y10-K12 VanDerWaalsContact C-N 3.28Å; Y10-K12 PolarHBondContact O-N 2.86Å; Y10-T13 PolarHBondContact O-N 2.99Å; Y10-F14 VanDerWaalsContact O-CB 3.27Å; Y10-F14 WeakPolarHBondContact O-CB 3.44Å; Y10-F14 PolarHBondContact O-N 2.71Å
11	Y	47	Very low	42	Very low	132 Å²	132	138.4 Å²	138.4	52%	0.518	66%	0.657	S	S	.	*	H	α-helix	trans	-63.6	-33.1	175.6	-98.3	-91.8	0	0	0	112.6	L7 S9 F14 L15	L7-Y11 HydrophobicContact CD2-CD2 4.02Å; L7-Y11 HydrophobicContact CD2-CE2 3.79Å; L7-Y11 WeakPolarHBondContact O-CB 3.44Å; L7-Y11 WeakPolarHBondContact O-CD2 3.38Å; L7-Y11 PolarHBondContact O-N 2.88Å; S9-Y11 PolarHBondContact O-N 3.45Å; Y11-F14 PolarHBondContact O-N 2.76Å; Y11-L15 WeakPolarHBondContact O-CB 3.29Å; Y11-L15 PolarHBondContact O-N 3.16Å
12	K	42.5	Very low	41	Very low	171 Å²	171	133.6 Å²	133.6	74%	0.743	64%	0.64	S	S	*	*	H	α-helix	trans	-70.7	-40.3	179	-148.7	175.8	-173.3	-172.4	0	111.4	K8 S9 Y10 F16	K8-K12 VanDerWaalsContact O-CB 3.32Å; K8-K12 WeakPolarHBondContact O-CB 3.49Å; K8-K12 PolarHBondContact O-N 2.93Å; S9-K12 PolarHBondContact O-N 2.77Å; Y10-K12 VanDerWaalsContact C-N 3.28Å; Y10-K12 PolarHBondContact O-N 2.86Å; K12-F16 WeakPolarHBondContact O-CB 2.86Å; K12-F16 PolarHBondContact O-N 3.38Å
13	T	42.4	Very low	40.3	Very low	86 Å²	86	132.6 Å²	132.6	53%	0.528	64%	0.641	S	S	.	*	H	α-helix	trans	-66.8	-39.8	172.6	-49.3	0	0	0	0	111.5	S9 Y10 F16 L17	S9-T13 PolarHBondContact O-N 2.78Å; S9-T13 VanDerWaalsContact O-N 3.09Å; S9-T13 PolarHBondContact O-OG1 3.01Å; Y10-T13 PolarHBondContact O-N 2.99Å; T13-F16 PolarHBondContact O-N 3.14Å; T13-L17 PolarHBondContact O-N 2.89Å
14	F	42.1	Very low	39.9	Very low	134 Å²	134	130 Å²	130	59%	0.588	65%	0.651	S	S	*	*	H	α-helix	trans	-70.7	-39.5	179.6	-168.8	-98	0	0	0	113.2	Y10 Y11 F16 L17 R18	Y10-F14 VanDerWaalsContact O-CB 3.27Å; Y10-F14 WeakPolarHBondContact O-CB 3.44Å; Y10-F14 PolarHBondContact O-N 2.71Å; Y11-F14 PolarHBondContact O-N 2.76Å; F14-F16 VanDerWaalsContact C-N 3.28Å; F14-F16 PolarHBondContact O-N 3.25Å; F14-L17 PolarHBondContact O-N 3.31Å; F14-R18 PolarHBondContact O-N 3.07Å
15	L	38	Very low	39.3	Very low	102 Å²	102	124.3 Å²	124.3	53%	0.534	64%	0.64	S	S	.	*	H	α-helix	trans	-67.7	-29.1	174.8	-120.4	107.1	0	0	0	112.5	Y11 R18 K19	Y11-L15 WeakPolarHBondContact O-CB 3.29Å; Y11-L15 PolarHBondContact O-N 3.16Å; L15-R18 PolarHBondContact O-N 2.03Å; L15-K19 PolarHBondContact O-N 2.56Å
16	F	38.7	Very low	38.2	Very low	159 Å²	159	126 Å²	126	70%	0.697	66%	0.656	S	S	*	*	H	α-helix	trans	-68.2	-39.2	177.4	-171.1	-102.2	0	0	0	111.6	K12 T13 F14	K12-F16 WeakPolarHBondContact O-CB 2.86Å; K12-F16 PolarHBondContact O-N 3.38Å; T13-F16 PolarHBondContact O-N 3.14Å; F14-F16 VanDerWaalsContact C-N 3.28Å; F14-F16 PolarHBondContact O-N 3.25Å
17	L	37.7	Very low	37.4	Very low	108 Å²	108	129.5 Å²	129.5	57%	0.565	67%	0.67	S	S	*	*	H	α-helix	trans	-68.6	-32.2	176	-74.6	162.8	0	0	0	113.2	T13 F14	T13-L17 PolarHBondContact O-N 2.89Å; F14-L17 PolarHBondContact O-N 3.31Å
18	R	34.7	Very low	36.4	Very low	190 Å²	190	135.4 Å²	135.4	72%	0.717	69%	0.692	S	S	*	*	H	α-helix	trans	-77.9	-22	-177.8	-165.8	174.7	177.5	174.9	0.5	114.1	F14 L15 N20 V21	F14-R18 PolarHBondContact O-N 3.07Å; L15-R18 PolarHBondContact O-N 2.03Å; R18-N20 PolarHBondContact O-N 3.5Å; R18-V21 PolarHBondContact O-N 3.08Å
19	K	37.1	Very low	35.7	Very low	155 Å²	155	135.4 Å²	135.4	67%	0.674	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-69.4	-11.6	-176.7	-93.3	-175.9	168.3	-175.6	0	114.7	L15 V21	L15-K19 PolarHBondContact O-N 2.56Å; K19-V21 VanDerWaalsContact C-N 3.34Å; K19-V21 PolarHBondContact O-N 3.31Å
20	N	37.5	Very low	35.1	Very low	143 Å²	143	140.1 Å²	140.1	77%	0.765	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-86.5	4.9	179.8	-71.8	-11.8	0	0	0	114.9	R18	R18-N20 PolarHBondContact O-N 3.5Å
21	V	38.3	Very low	34.5	Very low	122 Å²	122	139.5 Å²	139.5	74%	0.739	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-102.7	-3.1	-176.2	-177.9	0	0	0	0	113.4	R18 K19	R18-V21 PolarHBondContact O-N 3.08Å; K19-V21 VanDerWaalsContact C-N 3.34Å; K19-V21 PolarHBondContact O-N 3.31Å
22	T	26.8	Very low	34	Very low	115 Å²	115	138.2 Å²	138.2	71%	0.706	72%	0.715	S	S	*	*	S	Bend	trans	-137.9	67.7	-176.6	59.7	0	0	0	0	113.3
23	T	30.3	Very low	34.1	Very low	124 Å²	124	135.9 Å²	135.9	76%	0.761	71%	0.711	S	S	*	*			trans	-158.3	96.6	148.8	38	0	0	0	0	107.9	G25	T23-G25 PolarHBondContact O-N 2.75Å
24	S	28.4	Very low	34.2	Very low	139 Å²	139	133.3 Å²	133.3	97%	0.972	70%	0.696	S	S	*	*			trans	-71.7	62.8	155.7	45.8	0	0	0	0	109
25	G	27.1	Very low	34.5	Very low	51 Å²	51	130.7 Å²	130.7	53%	0.526	69%	0.692	S	S	.	*			trans	-101.6	124	156.2	0	0	0	0	0	106	T23 E27	T23-G25 PolarHBondContact O-N 2.75Å; G25-E27 PolarHBondContact O-N 2.96Å
26	S	26.3	Very low	35	Very low	131 Å²	131	132.9 Å²	132.9	92%	0.916	70%	0.699	S	S	*	*			trans	-66.3	74.1	-177	-49.6	0	0	0	0	112
27	E	26.7	Very low	35.6	Very low	179 Å²	179	130.5 Å²	130.5	84%	0.836	70%	0.702	S	S	*	*			trans	-91.9	112.3	162.2	-75.6	-170.6	166.7	0	0	108.1	G25 L29	G25-E27 PolarHBondContact O-N 2.96Å; E27-L29 VanDerWaalsContact C-N 3.27Å; E27-L29 PolarHBondContact O-N 3.25Å
28	K	25.2	Very low	36.7	Very low	207 Å²	207	128 Å²	128	90%	0.9	69%	0.694	S	S	*	*			trans	-55.1	94.6	167.3	-75.3	175.5	174.8	176.9	0	107.8	K30	K28-K30 VanDerWaalsContact C-N 3.31Å; K28-K30 PolarHBondContact O-N 3.48Å
29	L	30.6	Very low	38.2	Very low	163 Å²	163	122.3 Å²	122.3	85%	0.853	67%	0.673	S	S	*	*			trans	-53.6	102.6	161.5	-85.5	150.8	0	0	0	105.9	E27 Q31	E27-L29 VanDerWaalsContact C-N 3.27Å; E27-L29 PolarHBondContact O-N 3.25Å; L29-Q31 PolarHBondContact O-N 3Å
30	K	30.4	Very low	39.6	Very low	173 Å²	173	116.6 Å²	116.6	75%	0.752	65%	0.653	S	S	*	*			trans	-51.3	116.3	168.7	-74	179.5	175.8	178.3	0	105.3	K28 N32	K28-K30 VanDerWaalsContact C-N 3.31Å; K28-K30 PolarHBondContact O-N 3.48Å; K30-N32 WeakPolarHBondContact CB-OD1 3.45Å; K30-N32 PolarHBondContact O-N 3.45Å
31	Q	36	Very low	41.2	Very low	146 Å²	146	118.2 Å²	118.2	68%	0.682	66%	0.655	S	S	*	*			trans	-63.4	80.8	166	-73.9	176.1	2.1	0	0	106.3	L29 N33	L29-Q31 PolarHBondContact O-N 3Å; Q31-N33 PolarHBondContact O-N 3.08Å
32	N	36.5	Very low	43.4	Very low	104 Å²	104	116.1 Å²	116.1	56%	0.556	64%	0.64	S	S	*	*			trans	-72.7	82.2	168.9	-73.6	-11	0	0	0	105.2	K30 C34	K30-N32 WeakPolarHBondContact CB-OD1 3.45Å; K30-N32 PolarHBondContact O-N 3.45Å; N32-C34 PolarHBondContact O-N 3.32Å; N32-C34 VanDerWaalsContact O-N 3.07Å
33	N	44.7	Very low	46.3	Very low	123 Å²	123	111.2 Å²	111.2	66%	0.658	61%	0.61	S	S	*	*			trans	-58.9	111.5	163.7	-73.6	-17.1	0	0	0	106	Q31	Q31-N33 PolarHBondContact O-N 3.08Å
34	C	45.2	Very low	49.1	Very low	32 Å²	32	110 Å²	110	22%	0.216	60%	0.599	C	S	.	*			trans	-57.4	134.4	173.3	-79.4	0	0	0	0	109.1	N32 H36 C46	N32-C34 PolarHBondContact O-N 3.32Å; N32-C34 VanDerWaalsContact O-N 3.07Å; C34-H36 PolarHBondContact O-N 3.43Å; C34-H36 VanDerWaalsContact O-N 3.08Å; C34-C46 HydrophobicContact CB-CB 4.35Å; C34-C46 WeakPolarHBondContact CB-SG 3.29Å; C34-C46 WeakPolarHBondContact SG-CB 3.36Å; C34-C46 CovalentContact SG-SG 2.03Å; C34-C46 PolarHBondContact SG-SG 3.28Å
35	P	47.5	Very low	52	Low	79 Å²	79	107 Å²	107	51%	0.513	58%	0.578	S	S	.	*			trans	-63.6	116.9	165.4	-6	21.8	0	0	0	105.4	S37 S38	P35-S37 PolarHBondContact O-N 2.96Å; P35-S38 WeakPolarHBondContact CG-OG 3.02Å; P35-S38 PolarHBondContact O-N 2.89Å
36	H	50.2	Low	54.8	Low	147 Å²	147	104.9 Å²	104.9	68%	0.681	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	2	175.5	-85.7	-32.3	0	0	0	113.9	C34	C34-H36 PolarHBondContact O-N 3.43Å; C34-H36 VanDerWaalsContact O-N 3.08Å
37	S	51.5	Low	57.7	Low	109 Å²	109	102.1 Å²	102.1	76%	0.762	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	-12.9	-177.2	73.2	0	0	0	0	115.9	P35	P35-S37 PolarHBondContact O-N 2.96Å
38	S	59.8	Low	60.7	Low	57 Å²	57	95 Å²	95	40%	0.399	50%	0.503	S	S	.	.	S	Bend	trans	-108.6	122.9	-176.4	53.1	0	0	0	0	111	P35 C40	P35-S38 WeakPolarHBondContact CG-OG 3.02Å; P35-S38 PolarHBondContact O-N 2.89Å; S38-C40 PolarHBondContact O-N 3.47Å
39	Y	65.7	Low	63.9	Low	70 Å²	70	85.9 Å²	85.9	28%	0.275	46%	0.463	S	S	.	.			trans	-52.4	121.4	169.6	175.5	-104.3	0	0	0	109.3	E41 D244 L251	Y39-E41 HydrophobicContact CE1-CG 4.02Å; Y39-D244 HydrophobicContact CD2-CB 4.17Å; Y39-D244 HydrophobicContact CE2-CB 3.98Å; Y39-L251 HydrophobicContact CD1-CD1 4.32Å
40	C	68	Low	66.9	Low	35 Å²	35	78.6 Å²	78.6	24%	0.236	42%	0.424	C	S	.	.			trans	-103	125	172.8	-170.7	0	0	0	0	107.7	S38 D42 S45 Y49	S38-C40 PolarHBondContact O-N 3.47Å; C40-D42 PolarHBondContact O-N 3.35Å; C40-D42 PolarHBondContact SG-O 3.04Å; C40-D42 VanDerWaalsContact SG-O 3.38Å; C40-S45 PolarHBondContact SG-OG 3.45Å; C40-Y49 HydrophobicContact CB-CE2 4.03Å
41	E	70.9	Confident	69.8	Low	176 Å²	176	70.9 Å²	70.9	82%	0.822	39%	0.394	S	S	*	.	S	Bend	trans	-59.3	-32.8	-180	-71.4	-175.4	163.7	0	0	112.4	Y39	Y39-E41 HydrophobicContact CE1-CG 4.02Å
42	D	83.9	Confident	72.5	Confident	79 Å²	79	63.9 Å²	63.9	42%	0.422	36%	0.362	S	S	.	.			trans	-119.6	105.6	177.8	-170.1	3.8	0	0	0	112.2	C40 L44 S45	C40-D42 PolarHBondContact O-N 3.35Å; C40-D42 PolarHBondContact SG-O 3.04Å; C40-D42 VanDerWaalsContact SG-O 3.38Å; D42-L44 PolarHBondContact O-N 3.48Å; D42-L44 VanDerWaalsContact O-N 3.14Å; D42-L44 WeakPolarHBondContact OD1-CB 3.37Å; D42-L44 PolarHBondContact OD1-N 3.41Å; D42-S45 WeakPolarHBondContact O-CB 3.4Å; D42-S45 PolarHBondContact O-N 3.46Å; D42-S45 VanDerWaalsContact O-N 3.16Å; D42-S45 PolarHBondContact O-OG 2.69Å
43	P	86.8	Confident	75	Confident	12 Å²	12	64.8 Å²	64.8	8%	0.078	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-64.4	-17	178.4	28.2	-36.2	0	0	0	113	S45 Y49 H111 Y114	P43-S45 VanDerWaalsContact C-N 3.32Å; P43-Y49 HydrophobicContact CB-CD1 3.77Å; P43-Y49 HydrophobicContact CB-CE1 3.86Å; P43-Y49 HydrophobicContact CB-CG 4.14Å; P43-H111 PolarHBondContact O-CE1 2.93Å; P43-Y114 HydrophobicContact CB-CE1 4.46Å; P43-Y114 HydrophobicContact CG-CD1 4.39Å; P43-Y114 HydrophobicContact CG-CE1 3.86Å
44	L	89.8	Confident	77.2	Confident	98 Å²	98	65.6 Å²	65.6	51%	0.513	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-79.3	-14.6	178.3	-62.9	178.4	0	0	0	113.7	D42 C46	D42-L44 PolarHBondContact O-N 3.48Å; D42-L44 VanDerWaalsContact O-N 3.14Å; D42-L44 WeakPolarHBondContact OD1-CB 3.37Å; D42-L44 PolarHBondContact OD1-N 3.41Å; L44-C46 PolarHBondContact O-N 3.1Å
45	S	88.5	Confident	79.4	Confident	76 Å²	76	65.8 Å²	65.8	53%	0.531	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-70.6	-19.5	-179.9	67.2	0	0	0	0	112.9	C40 D42 P43	C40-S45 PolarHBondContact SG-OG 3.45Å; D42-S45 WeakPolarHBondContact O-CB 3.4Å; D42-S45 PolarHBondContact O-N 3.46Å; D42-S45 VanDerWaalsContact O-N 3.16Å; D42-S45 PolarHBondContact O-OG 2.69Å; P43-S45 VanDerWaalsContact C-N 3.32Å
46	C	86.7	Confident	81.5	Confident	6 Å²	6	62.6 Å²	62.6	4%	0.041	34%	0.342	C	S	.	.	S	Bend	trans	-104.6	136.3	-175.5	-155.5	0	0	0	0	111.4	C34 L44 D48 Y49	C34-C46 HydrophobicContact CB-CB 4.35Å; C34-C46 WeakPolarHBondContact CB-SG 3.29Å; C34-C46 WeakPolarHBondContact SG-CB 3.36Å; C34-C46 CovalentContact SG-SG 2.03Å; C34-C46 PolarHBondContact SG-SG 3.28Å; L44-C46 PolarHBondContact O-N 3.1Å; C46-D48 VanDerWaalsContact C-N 3.33Å; C46-D48 PolarHBondContact O-N 2.88Å; C46-Y49 HydrophobicContact CB-CD2 4.29Å
47	S	87	Confident	83.6	Confident	74 Å²	74	59 Å²	59	52%	0.517	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-31	177.4	59.1	0	0	0	0	113.2
48	D	90.8	Very high	85.7	Confident	29 Å²	29	56.9 Å²	56.9	16%	0.155	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.6	71.5	180	-170.6	13.3	0	0	0	111	C46 F50 G51 L52 K53 F103	C46-D48 VanDerWaalsContact C-N 3.33Å; C46-D48 PolarHBondContact O-N 2.88Å; D48-F50 VanDerWaalsContact C-N 3.3Å; D48-F50 PolarHBondContact O-N 3.04Å; D48-G51 WeakPolarHBondContact OD1-CA 3.37Å; D48-G51 PolarHBondContact OD1-N 2.96Å; D48-G51 WeakPolarHBondContact OD2-CA 3.22Å; D48-L52 VanDerWaalsContact CG-N 3.32Å; D48-L52 PolarHBondContact OD1-N 3.43Å; D48-L52 PolarHBondContact OD2-N 2.94Å; D48-L52 VanDerWaalsContact OD2-N 3.1Å; D48-K53 VanDerWaalsContact OD2-CB 3.22Å; D48-K53 WeakPolarHBondContact OD2-CB 3.45Å; D48-K53 PolarHBondContact OD2-N 3.41Å; D48-F103 HydrophobicContact CB-CE2 4.37Å; D48-F103 HydrophobicContact CB-CZ 4.04Å
49	Y	91.5	Very high	87.5	Confident	15 Å²	15	58.3 Å²	58.3	6%	0.059	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-32.7	-178.9	-170.6	-114.9	0	0	0	112.7	C40 P43 C46 Y114 T240 R243 D244	C40-Y49 HydrophobicContact CB-CE2 4.03Å; P43-Y49 HydrophobicContact CB-CD1 3.77Å; P43-Y49 HydrophobicContact CB-CE1 3.86Å; P43-Y49 HydrophobicContact CB-CG 4.14Å; C46-Y49 HydrophobicContact CB-CD2 4.29Å; Y49-Y114 HydrophobicContact CE1-CE2 4.28Å; Y49-T240 HydrophobicContact CD1-CG2 4.07Å; Y49-T240 HydrophobicContact CE1-CG2 3.45Å; Y49-T240 VanDerWaalsContact CE1-CG2 3.45Å; Y49-R243 PolarHBondContact OH-NH2 3.46Å; Y49-D244 WeakPolarHBondContact CE1-OD2 3.47Å; Y49-D244 VanDerWaalsContact OH-CG 3.25Å; Y49-D244 PolarHBondContact OH-OD1 3.07Å; Y49-D244 PolarHBondContact OH-OD2 3.13Å
50	F	93.1	Very high	88.9	Confident	10 Å²	10	57.9 Å²	57.9	4%	0.044	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	0.6	-173.8	-47.4	-74.8	0	0	0	114.1	D48 L52 A110 H111 Y114 T240	D48-F50 VanDerWaalsContact C-N 3.3Å; D48-F50 PolarHBondContact O-N 3.04Å; F50-L52 HydrophobicContact CB-CD1 4.19Å; F50-L52 HydrophobicContact CB-CD2 4.22Å; F50-L52 HydrophobicContact CB-CG 3.91Å; F50-L52 HydrophobicContact CD2-CD1 4.29Å; F50-A110 HydrophobicContact CB-CB 4.46Å; F50-A110 HydrophobicContact CD1-CB 4.43Å; F50-A110 HydrophobicContact CD2-CB 3.4Å; F50-A110 HydrophobicContact CE2-CB 3.57Å; F50-A110 HydrophobicContact CG-CB 3.86Å; F50-A110 HydrophobicContact CZ-CB 4.17Å; F50-H111 HydrophobicContact CE2-CB 4.34Å; F50-H111 AromaticContact CE2-CD2 3.72Å; F50-H111 AromaticContact CE2-CE1 3.49Å; F50-H111 VanDerWaalsContact CE2-CE1 3.49Å; F50-H111 WeakPolarHBondContact CE2-CE1 3.45Å; F50-H111 AromaticContact CE2-CG 3.59Å; F50-H111 AromaticContact CE2-ND1 3.45Å; F50-H111 WeakPolarHBondContact CE2-ND1 3.42Å; F50-H111 AromaticContact CE2-NE2 3.68Å; F50-H111 HydrophobicContact CZ-CB 4.46Å; F50-H111 AromaticContact CZ-CE1 3.76Å; F50-H111 AromaticContact CZ-CG 3.88Å; F50-H111 AromaticContact CZ-ND1 3.43Å; F50-H111 WeakPolarHBondContact CZ-ND1 3.27Å; F50-Y114 AromaticContact CE1-CD2 3.97Å; F50-Y114 HydrophobicContact CE1-CD2 3.97Å; F50-Y114 HydrophobicContact CE1-CG 4.18Å; F50-Y114 HydrophobicContact CZ-CG 4.31Å; F50-T240 HydrophobicContact CD1-CG2 4.17Å; F50-T240 HydrophobicContact CE1-CG2 4.28Å
51	G	91.7	Very high	90.3	Very high	11 Å²	11	56.3 Å²	56.3	11%	0.113	31%	0.309	C	S	.	.			trans	67.9	40.3	179.4	0	0	0	0	0	113.6	D48 R236	D48-G51 WeakPolarHBondContact OD1-CA 3.37Å; D48-G51 PolarHBondContact OD1-N 2.96Å; D48-G51 WeakPolarHBondContact OD2-CA 3.22Å; G51-R236 PolarHBondContact O-NH1 3.19Å
52	L	93.3	Very high	91.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.294	C	S	.	.			trans	-85.5	-15.8	-174.9	-58.3	173.8	0	0	0	113.4	D48 F50 N54 L55 F103 L106 N107 A110 A233	D48-L52 VanDerWaalsContact CG-N 3.32Å; D48-L52 PolarHBondContact OD1-N 3.43Å; D48-L52 PolarHBondContact OD2-N 2.94Å; D48-L52 VanDerWaalsContact OD2-N 3.1Å; F50-L52 HydrophobicContact CB-CD1 4.19Å; F50-L52 HydrophobicContact CB-CD2 4.22Å; F50-L52 HydrophobicContact CB-CG 3.91Å; F50-L52 HydrophobicContact CD2-CD1 4.29Å; L52-N54 PolarHBondContact O-N 3.49Å; L52-N54 VanDerWaalsContact O-N 3.13Å; L52-L55 HydrophobicContact CD2-CD2 4.22Å; L52-L55 WeakPolarHBondContact O-CB 3.41Å; L52-L55 PolarHBondContact O-N 3.21Å; L52-F103 HydrophobicContact CB-CD2 4.32Å; L52-F103 HydrophobicContact CB-CE2 4.06Å; L52-L106 HydrophobicContact CD1-CB 4.2Å; L52-N107 HydrophobicContact CD1-CB 4.26Å; L52-A110 HydrophobicContact CD1-CB 3.99Å; L52-A233 HydrophobicContact CD2-CB 3.95Å
53	K	88.8	Confident	92.2	Very high	123 Å²	123	56.8 Å²	56.8	54%	0.535	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-33.1	-173.2	-166.5	176.2	-173.1	178.4	0	113.5	D48 L55 F103	D48-K53 VanDerWaalsContact OD2-CB 3.22Å; D48-K53 WeakPolarHBondContact OD2-CB 3.45Å; D48-K53 PolarHBondContact OD2-N 3.41Å; K53-L55 VanDerWaalsContact C-N 3.31Å; K53-F103 HydrophobicContact CB-CE2 4.12Å
54	N	89.9	Confident	92.7	Very high	140 Å²	140	56.6 Å²	56.6	75%	0.749	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-4.1	179.3	-62.2	-21.9	0	0	0	113.5	L52	L52-N54 PolarHBondContact O-N 3.49Å; L52-N54 VanDerWaalsContact O-N 3.13Å
55	L	92	Very high	93	Very high	36 Å²	36	59 Å²	59	19%	0.188	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-27.2	-176.5	-168.6	64.9	0	0	0	112.1	L52 K53 L106 L229 E232	L52-L55 HydrophobicContact CD2-CD2 4.22Å; L52-L55 WeakPolarHBondContact O-CB 3.41Å; L52-L55 PolarHBondContact O-N 3.21Å; K53-L55 VanDerWaalsContact C-N 3.31Å; L55-L106 HydrophobicContact CD2-CD1 4.34Å; L55-L229 HydrophobicContact CD1-CD2 4.38Å; L55-L229 HydrophobicContact CD2-CD2 4.18Å; L55-L229 HydrophobicContact CG-CD2 3.71Å; L55-L229 WeakPolarHBondContact O-CD2 3.49Å; L55-E232 HydrophobicContact CD1-CB 4.3Å; L55-E232 HydrophobicContact CD1-CG 3.71Å; L55-E232 HydrophobicContact CD2-CB 4.14Å; L55-E232 HydrophobicContact CD2-CG 3.99Å
56	V	91.5	Very high	93.5	Very high	11 Å²	11	55.3 Å²	55.3	7%	0.067	28%	0.283	C	S	.	.			trans	-113	113.3	-176.6	-172.7	0	0	0	0	109.6	L61 C99 M102 L106 L229	V56-L61 HydrophobicContact CG1-CD1 3.94Å; V56-L61 HydrophobicContact CG1-CG 4.37Å; V56-C99 HydrophobicContact CG1-CB 4.44Å; V56-M102 HydrophobicContact CG1-CB 4.32Å; V56-M102 HydrophobicContact CG1-CG 4.12Å; V56-M102 HydrophobicContact CG2-CG 3.76Å; V56-L106 HydrophobicContact CG2-CD1 3.42Å; V56-L106 VanDerWaalsContact CG2-CD1 3.42Å; V56-L229 HydrophobicContact CG2-CD2 4.36Å
57	N	94.6	Very high	94	Very high	71 Å²	71	56.4 Å²	56.4	38%	0.38	29%	0.287	S	S	.	.			trans	-114.8	142.2	172.7	-57.3	-54.4	0	0	0	110.9	T59 D60 L61	N57-T59 WeakPolarHBondContact CB-OG1 3.4Å; N57-T59 PolarHBondContact O-N 3.36Å; N57-D60 HydrophobicContact CB-CB 4.39Å; N57-D60 WeakPolarHBondContact CB-OD2 3.3Å; N57-D60 PolarHBondContact ND2-OD2 2.87Å; N57-D60 PolarHBondContact O-N 3.45Å; N57-D60 VanDerWaalsContact O-N 3.14Å; N57-L61 WeakPolarHBondContact O-CG 3.33Å; N57-L61 PolarHBondContact O-N 3.46Å; N57-L61 VanDerWaalsContact O-N 3.12Å
58	V	95.9	Very high	94.5	Very high	66 Å²	66	56 Å²	56	40%	0.4	28%	0.279	S	S	.	.	H	α-helix	trans	-60.4	-34.4	175.3	178.1	0	0	0	0	111.3	D60 F62 L95 C99	V58-D60 VanDerWaalsContact C-N 3.32Å; V58-D60 PolarHBondContact O-N 3.5Å; V58-F62 WeakPolarHBondContact O-CB 3.32Å; V58-F62 PolarHBondContact O-N 3.09Å; V58-L95 HydrophobicContact CG1-CB 4.06Å; V58-L95 HydrophobicContact CG1-CD1 4.29Å; V58-C99 HydrophobicContact CG2-CB 4.19Å
59	T	96.4	Very high	94.8	Very high	86 Å²	86	55.3 Å²	55.3	53%	0.528	28%	0.278	S	S	.	.	H	α-helix	trans	-59.6	-43.6	176	50.2	0	0	0	0	111.9	N57 F62 Q63	N57-T59 WeakPolarHBondContact CB-OG1 3.4Å; N57-T59 PolarHBondContact O-N 3.36Å; T59-F62 PolarHBondContact O-N 3.37Å; T59-Q63 VanDerWaalsContact O-CG 3.31Å; T59-Q63 WeakPolarHBondContact O-CG 3.46Å; T59-Q63 PolarHBondContact O-N 3.25Å
60	D	96	Very high	95	Very high	61 Å²	61	56.5 Å²	56.5	33%	0.326	28%	0.284	S	S	.	.	H	α-helix	trans	-74.8	-40.1	-173.9	-55.2	-11.7	0	0	0	109.6	N57 V58 F62 Q63 A64	N57-D60 HydrophobicContact CB-CB 4.39Å; N57-D60 WeakPolarHBondContact CB-OD2 3.3Å; N57-D60 PolarHBondContact ND2-OD2 2.87Å; N57-D60 PolarHBondContact O-N 3.45Å; N57-D60 VanDerWaalsContact O-N 3.14Å; V58-D60 VanDerWaalsContact C-N 3.32Å; V58-D60 PolarHBondContact O-N 3.5Å; D60-F62 VanDerWaalsContact C-N 3.31Å; D60-F62 PolarHBondContact O-N 3.17Å; D60-Q63 PolarHBondContact O-N 3.44Å; D60-A64 VanDerWaalsContact O-CB 3.27Å; D60-A64 WeakPolarHBondContact O-CB 3.43Å; D60-A64 PolarHBondContact O-N 3.41Å
61	L	97.1	Very high	95.2	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-59.8	-41	170.8	-65.8	173.9	0	0	0	111.8	V56 N57 R65 V66 L95 T98 C99 L225	V56-L61 HydrophobicContact CG1-CD1 3.94Å; V56-L61 HydrophobicContact CG1-CG 4.37Å; N57-L61 WeakPolarHBondContact O-CG 3.33Å; N57-L61 PolarHBondContact O-N 3.46Å; N57-L61 VanDerWaalsContact O-N 3.12Å; L61-R65 PolarHBondContact O-N 2.9Å; L61-V66 HydrophobicContact CB-CB 4.29Å; L61-V66 HydrophobicContact CB-CG2 4.38Å; L61-V66 HydrophobicContact CD2-CB 4.4Å; L61-V66 HydrophobicContact CD2-CG1 4.34Å; L61-V66 HydrophobicContact CD2-CG2 4Å; L61-V66 WeakPolarHBondContact O-CB 3.32Å; L61-V66 WeakPolarHBondContact O-CG2 3.45Å; L61-V66 PolarHBondContact O-N 3.36Å; L61-L95 HydrophobicContact CB-CD1 4.25Å; L61-L95 HydrophobicContact CB-CD2 4.03Å; L61-T98 HydrophobicContact CD1-CG2 4.13Å; L61-C99 HydrophobicContact CD1-CB 4.22Å; L61-L225 HydrophobicContact CD2-CD2 3.92Å
62	F	97.4	Very high	95.3	Very high	120 Å²	120	65.9 Å²	65.9	53%	0.526	32%	0.323	S	S	.	.	H	α-helix	trans	-65.8	-48.5	177.5	-174.2	-93.9	0	0	0	111.7	V58 T59 D60 A64 R65 H67 L95	V58-F62 WeakPolarHBondContact O-CB 3.32Å; V58-F62 PolarHBondContact O-N 3.09Å; T59-F62 PolarHBondContact O-N 3.37Å; D60-F62 VanDerWaalsContact C-N 3.31Å; D60-F62 PolarHBondContact O-N 3.17Å; F62-A64 VanDerWaalsContact C-N 3.29Å; F62-A64 PolarHBondContact O-N 3.37Å; F62-R65 PolarHBondContact O-N 3.49Å; F62-H67 AromaticContact CD2-CE1 3.58Å; F62-H67 AromaticContact CD2-ND1 3.55Å; F62-H67 AromaticContact CE2-CE1 3.53Å; F62-H67 AromaticContact CE2-ND1 3.91Å; F62-H67 AromaticContact CE2-NE2 3.68Å; F62-H67 PolarHBondContact O-CE1 2.98Å; F62-L95 HydrophobicContact CB-CD1 3.81Å; F62-L95 HydrophobicContact CD2-CD1 4.07Å; F62-L95 HydrophobicContact CG-CD1 4.47Å
63	Q	97.1	Very high	95.5	Very high	146 Å²	146	72.1 Å²	72.1	68%	0.682	36%	0.36	S	S	*	.	H	α-helix	trans	-61.2	-37.1	177.5	-73.2	177.7	5.2	0	0	112.4	T59 D60 R65	T59-Q63 VanDerWaalsContact O-CG 3.31Å; T59-Q63 WeakPolarHBondContact O-CG 3.46Å; T59-Q63 PolarHBondContact O-N 3.25Å; D60-Q63 PolarHBondContact O-N 3.44Å; Q63-R65 PolarHBondContact O-N 3.15Å
64	A	97.2	Very high	95.8	Very high	7 Å²	7	70.7 Å²	70.7	6%	0.058	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	1.3	175.9	0	0	0	0	0	114.1	D60 F62 V66 T221 A222 L225	D60-A64 VanDerWaalsContact O-CB 3.27Å; D60-A64 WeakPolarHBondContact O-CB 3.43Å; D60-A64 PolarHBondContact O-N 3.41Å; F62-A64 VanDerWaalsContact C-N 3.29Å; F62-A64 PolarHBondContact O-N 3.37Å; A64-V66 VanDerWaalsContact C-N 3.29Å; A64-V66 HydrophobicContact CB-CG2 4.09Å; A64-V66 PolarHBondContact O-N 3.41Å; A64-T221 HydrophobicContact CB-CG2 4.17Å; A64-A222 PolarHBondContact O-N 3.01Å; A64-L225 HydrophobicContact CB-CB 4.09Å; A64-L225 HydrophobicContact CB-CD2 3.47Å; A64-L225 VanDerWaalsContact CB-CD2 3.47Å; A64-L225 HydrophobicContact CB-CG 4.39Å
65	R	97.5	Very high	96	Very high	148 Å²	148	67.6 Å²	67.6	56%	0.558	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.7	29.2	178.9	-50.7	-178	-174.9	177.2	1	114.1	L61 F62 Q63 H67 L68 N216	L61-R65 PolarHBondContact O-N 2.9Å; F62-R65 PolarHBondContact O-N 3.49Å; Q63-R65 PolarHBondContact O-N 3.15Å; R65-H67 PolarHBondContact O-N 3.33Å; R65-L68 HydrophobicContact CB-CD1 3.95Å; R65-L68 HydrophobicContact CB-CG 4.4Å; R65-L68 HydrophobicContact CG-CD1 4.45Å; R65-L68 PolarHBondContact O-N 3.15Å; R65-N216 WeakPolarHBondContact O-CB 3.4Å; R65-N216 PolarHBondContact O-ND2 3.22Å
66	V	97.9	Very high	96.2	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-26.8	179.2	177.8	0	0	0	0	112.2	L61 A64 L68 L95 T98 N216 A222 L225 F226	L61-V66 HydrophobicContact CB-CB 4.29Å; L61-V66 HydrophobicContact CB-CG2 4.38Å; L61-V66 HydrophobicContact CD2-CB 4.4Å; L61-V66 HydrophobicContact CD2-CG1 4.34Å; L61-V66 HydrophobicContact CD2-CG2 4Å; L61-V66 WeakPolarHBondContact O-CB 3.32Å; L61-V66 WeakPolarHBondContact O-CG2 3.45Å; L61-V66 PolarHBondContact O-N 3.36Å; A64-V66 VanDerWaalsContact C-N 3.29Å; A64-V66 HydrophobicContact CB-CG2 4.09Å; A64-V66 PolarHBondContact O-N 3.41Å; V66-L68 VanDerWaalsContact C-N 3.27Å; V66-L68 PolarHBondContact O-N 3.19Å; V66-L95 HydrophobicContact CB-CD2 4.1Å; V66-L95 HydrophobicContact CG1-CD2 4.06Å; V66-T98 HydrophobicContact CG1-CG2 4.21Å; V66-N216 PolarHBondContact O-N 3.5Å; V66-A222 HydrophobicContact CG2-CB 4.01Å; V66-L225 HydrophobicContact CG2-CD2 4.31Å; V66-F226 HydrophobicContact CG1-CE1 4.35Å; V66-F226 HydrophobicContact CG1-CZ 3.82Å; V66-F226 HydrophobicContact CG2-CE1 4.35Å; V66-F226 HydrophobicContact CG2-CZ 4.05Å
67	H	97.7	Very high	96.4	Very high	28 Å²	28	72.7 Å²	72.7	13%	0.13	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-12.4	-178.5	61	-81.4	0	0	0	114.5	F62 R65 I92 I93 L95	F62-H67 AromaticContact CD2-CE1 3.58Å; F62-H67 AromaticContact CD2-ND1 3.55Å; F62-H67 AromaticContact CE2-CE1 3.53Å; F62-H67 AromaticContact CE2-ND1 3.91Å; F62-H67 AromaticContact CE2-NE2 3.68Å; F62-H67 PolarHBondContact O-CE1 2.98Å; R65-H67 PolarHBondContact O-N 3.33Å; H67-I92 HydrophobicContact CB-CG2 4.4Å; H67-I92 CarbonylContact O-C 3.36Å; H67-I92 WeakPolarHBondContact O-CA 3.36Å; H67-I93 PolarHBondContact O-N 3.17Å; H67-L95 HydrophobicContact CB-CD1 3.94Å; H67-L95 HydrophobicContact CB-CD2 3.87Å; H67-L95 HydrophobicContact CB-CG 3.81Å
68	L	97.9	Very high	96.5	Very high	66 Å²	66	74.5 Å²	74.5	35%	0.346	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	122.4	-178.2	-60.8	178.9	0	0	0	109.8	R65 V66 N216	R65-L68 HydrophobicContact CB-CD1 3.95Å; R65-L68 HydrophobicContact CB-CG 4.4Å; R65-L68 HydrophobicContact CG-CD1 4.45Å; R65-L68 PolarHBondContact O-N 3.15Å; V66-L68 VanDerWaalsContact C-N 3.27Å; V66-L68 PolarHBondContact O-N 3.19Å; L68-N216 VanDerWaalsContact O-CB 3.28Å; L68-N216 WeakPolarHBondContact O-CB 3.46Å; L68-N216 PolarHBondContact O-ND2 3.15Å
69	G	96.6	Very high	96.6	Very high	14 Å²	14	71.3 Å²	71.3	14%	0.144	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	-165.8	169.7	0	0	0	0	0	113	I90 D91 D201	G69-I90 WeakPolarHBondContact O-CG2 3.3Å; G69-D91 PolarHBondContact N-O 3.27Å; G69-D201 WeakPolarHBondContact CA-OD1 3.42Å
70	H	96.3	Very high	96.5	Very high	41 Å²	41	71.8 Å²	71.8	19%	0.19	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-179.7	175.3	-78.1	70	0	0	0	112.3	L74 D91 D201 T202 D218	H70-L74 HydrophobicContact CB-CB 4.3Å; H70-L74 HydrophobicContact CB-CD1 4.38Å; H70-D91 PolarHBondContact O-N 3.4Å; H70-D201 IonicContact CE1-OD2 2.63Å; H70-D201 PolarHBondContact CE1-OD2 3.47Å; H70-D201 IonicContact CG-OD2 3.58Å; H70-D201 IonicContact ND1-OD1 3.04Å; H70-D201 IonicContact ND1-OD2 2.71Å; H70-D201 PolarHBondContact ND1-OD2 3.31Å; H70-T202 WeakPolarHBondContact CB-OG1 3.41Å; H70-T202 PolarHBondContact N-OG1 3.25Å; H70-D218 IonicContact CE1-OD2 3.33Å; H70-D218 PolarHBondContact CE1-OD2 3.08Å; H70-D218 IonicContact ND1-OD2 2.64Å; H70-D218 IonicContact NE2-OD2 3.12Å
71	R	96.6	Very high	96.6	Very high	174 Å²	174	73 Å²	73	66%	0.657	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.5	139.9	169.3	-69.4	-172.3	-80.9	-160.4	-4.3	110.1	V73 L74 G89	R71-V73 PolarHBondContact O-N 2.76Å; R71-L74 PolarHBondContact O-N 3Å; R71-G89 CarbonylContact C-O 3.57Å; R71-G89 WeakPolarHBondContact CA-O 3.45Å
72	S	94.7	Very high	96.6	Very high	43 Å²	43	75.2 Å²	75.2	30%	0.301	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-50.4	-25.1	176.7	50.8	0	0	0	0	115.1	L74 R75 G89 D91	S72-L74 VanDerWaalsContact C-N 3.34Å; S72-R75 WeakPolarHBondContact O-CB 3.48Å; S72-R75 PolarHBondContact O-N 3.43Å; S72-G89 PolarHBondContact N-O 3.44Å; S72-G89 PolarHBondContact OG-O 3.35Å; S72-G89 VanDerWaalsContact OG-O 3.1Å; S72-D91 WeakPolarHBondContact CA-OD1 3.41Å; S72-D91 VanDerWaalsContact CB-OD1 3.31Å; S72-D91 WeakPolarHBondContact CB-OD1 3.41Å
73	V	95.8	Very high	96.6	Very high	131 Å²	131	70.5 Å²	70.5	79%	0.794	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-69	-30.8	175.1	-178.7	0	0	0	0	112.7	R71 R75	R71-V73 PolarHBondContact O-N 2.76Å; V73-R75 VanDerWaalsContact C-N 3.29Å
74	L	94.8	Very high	96.6	Very high	93 Å²	93	72 Å²	72	49%	0.487	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-89.5	2.7	178.9	-60.2	175.4	0	0	0	112.4	H70 R71 S72 N76 N203	H70-L74 HydrophobicContact CB-CB 4.3Å; H70-L74 HydrophobicContact CB-CD1 4.38Å; R71-L74 PolarHBondContact O-N 3Å; S72-L74 VanDerWaalsContact C-N 3.34Å; L74-N76 PolarHBondContact O-N 2.9Å; L74-N203 WeakPolarHBondContact O-CA 3.38Å; L74-N203 WeakPolarHBondContact O-CB 3.3Å
75	R	95.1	Very high	96.6	Very high	76 Å²	76	73 Å²	73	29%	0.287	35%	0.348	S	S	.	.			trans	-63.8	131.6	-176.1	-172.7	-169.9	-63.7	175.7	0.2	110.7	S72 V73 I83 D91	S72-R75 WeakPolarHBondContact O-CB 3.48Å; S72-R75 PolarHBondContact O-N 3.43Å; V73-R75 VanDerWaalsContact C-N 3.29Å; R75-I83 HydrophobicContact CG-CD1 3.63Å; R75-D91 IonicContact CZ-OD1 2.79Å; R75-D91 IonicContact CZ-OD2 2.9Å; R75-D91 IonicContact NE-OD1 3.38Å; R75-D91 IonicContact NE-OD2 3.5Å; R75-D91 PolarHBondContact NE-OD2 3.39Å; R75-D91 VanDerWaalsContact NH2-CG 3.28Å; R75-D91 IonicContact NH2-OD1 3.45Å; R75-D91 PolarHBondContact NH2-OD1 2.84Å; R75-D91 IonicContact NH2-OD2 2.58Å; R75-D91 PolarHBondContact NH2-OD2 3.46Å
76	N	95.6	Very high	96.6	Very high	34 Å²	34	69 Å²	69	18%	0.182	34%	0.342	C	S	.	.			trans	-79.9	137.9	166.7	-166.9	-8.6	0	0	0	110.5	L74 Y78 M79 T202 S204 D205	L74-N76 PolarHBondContact O-N 2.9Å; N76-Y78 PolarHBondContact O-N 3.41Å; N76-Y78 WeakPolarHBondContact OD1-CD2 3.43Å; N76-Y78 PolarHBondContact OD1-N 3.23Å; N76-M79 HydrophobicContact CB-CB 4.46Å; N76-M79 HydrophobicContact CB-CG 4.28Å; N76-M79 PolarHBondContact O-N 2.78Å; N76-T202 PolarHBondContact N-O 3.13Å; N76-S204 WeakPolarHBondContact CB-O 3.19Å; N76-S204 PolarHBondContact ND2-O 2.93Å; N76-D205 WeakPolarHBondContact ND2-CA 3.49Å
77	E	96.1	Very high	96.6	Very high	119 Å²	119	77.5 Å²	77.5	56%	0.556	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-55.5	-38.3	178.1	-71.3	-66.4	125.8	0	0	112.5	M79 K80	E77-M79 VanDerWaalsContact C-N 3.26Å; E77-M79 PolarHBondContact O-N 3.19Å; E77-K80 VanDerWaalsContact CD-CE 3.48Å; E77-K80 WeakPolarHBondContact O-CB 3.37Å; E77-K80 WeakPolarHBondContact O-CG 3.4Å; E77-K80 PolarHBondContact O-N 2.9Å; E77-K80 WeakPolarHBondContact OE1-CE 3.35Å; E77-K80 IonicContact OE1-NZ 3.92Å; E77-K80 PolarHBondContact OE1-NZ 2.94Å; E77-K80 VanDerWaalsContact OE2-CE 3.26Å; E77-K80 WeakPolarHBondContact OE2-CE 3.35Å; E77-K80 IonicContact OE2-NZ 3.12Å; E77-K80 PolarHBondContact OE2-NZ 3.24Å
78	Y	97	Very high	96.5	Very high	109 Å²	109	85 Å²	85	43%	0.427	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-74.9	-13.6	-179.6	-55.8	-66.1	0	0	0	114	N76 P81 R207	N76-Y78 PolarHBondContact O-N 3.41Å; N76-Y78 WeakPolarHBondContact OD1-CD2 3.43Å; N76-Y78 PolarHBondContact OD1-N 3.23Å; Y78-P81 WeakPolarHBondContact O-CD 3.36Å; Y78-R207 HydrophobicContact CD1-CG 4.21Å; Y78-R207 HydrophobicContact CD2-CG 4.43Å; Y78-R207 VanDerWaalsContact CE2-NE 3.35Å; Y78-R207 HydrophobicContact CG-CG 4.1Å; Y78-R207 VanDerWaalsContact CZ-CZ 3.49Å; Y78-R207 VanDerWaalsContact CZ-NH1 3.28Å; Y78-R207 PolarHBondContact OH-NH1 3.01Å
79	M	96.8	Very high	96.4	Very high	0 Å²	0	83.3 Å²	83.3	0%	0	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-86.8	-10.7	175.9	-75.5	-60.1	-64.8	0	0	113.2	N76 E77 P81 Y82 I83 V200 S204 P206 P214	N76-M79 HydrophobicContact CB-CB 4.46Å; N76-M79 HydrophobicContact CB-CG 4.28Å; N76-M79 PolarHBondContact O-N 2.78Å; E77-M79 VanDerWaalsContact C-N 3.26Å; E77-M79 PolarHBondContact O-N 3.19Å; M79-P81 VanDerWaalsContact C-N 3.33Å; M79-Y82 HydrophobicContact CE-CD2 4.05Å; M79-Y82 HydrophobicContact CE-CG 4.44Å; M79-Y82 PolarHBondContact O-N 3.46Å; M79-Y82 HydrophobicContact SD-CD2 3.81Å; M79-Y82 HydrophobicContact SD-CE2 4.35Å; M79-I83 HydrophobicContact CB-CD1 4.32Å; M79-I83 WeakPolarHBondContact O-CG1 3.45Å; M79-I83 PolarHBondContact O-N 2.91Å; M79-V200 HydrophobicContact CE-CB 4.26Å; M79-V200 HydrophobicContact CE-CG2 3.88Å; M79-V200 HydrophobicContact SD-CB 4.04Å; M79-V200 HydrophobicContact SD-CG2 3.86Å; M79-S204 WeakPolarHBondContact CG-O 3.35Å; M79-P206 HydrophobicContact SD-CB 4.29Å; M79-P206 HydrophobicContact SD-CG 3.9Å; M79-P214 HydrophobicContact CE-CB 4.36Å
80	K	96.3	Very high	96.4	Very high	95 Å²	95	86.2 Å²	86.2	41%	0.413	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-49.6	-41.8	180	-72.8	178.1	175.5	175.8	0	114.6	E77 Y82 I83	E77-K80 VanDerWaalsContact CD-CE 3.48Å; E77-K80 WeakPolarHBondContact O-CB 3.37Å; E77-K80 WeakPolarHBondContact O-CG 3.4Å; E77-K80 PolarHBondContact O-N 2.9Å; E77-K80 WeakPolarHBondContact OE1-CE 3.35Å; E77-K80 IonicContact OE1-NZ 3.92Å; E77-K80 PolarHBondContact OE1-NZ 2.94Å; E77-K80 VanDerWaalsContact OE2-CE 3.26Å; E77-K80 WeakPolarHBondContact OE2-CE 3.35Å; E77-K80 IonicContact OE2-NZ 3.12Å; E77-K80 PolarHBondContact OE2-NZ 3.24Å; K80-Y82 VanDerWaalsContact C-N 3.26Å; K80-Y82 PolarHBondContact O-N 3.38Å; K80-I83 PolarHBondContact O-N 3.35Å
81	P	97	Very high	96.5	Very high	87 Å²	87	84.2 Å²	84.2	57%	0.565	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-65.2	-27	-179.6	-22.8	35.4	0	0	0	114.4	Y78 M79 Q97	Y78-P81 WeakPolarHBondContact O-CD 3.36Å; M79-P81 VanDerWaalsContact C-N 3.33Å; P81-Q97 PolarHBondContact O-NE2 3.39Å; P81-Q97 VanDerWaalsContact O-NE2 3.11Å; P81-Q97 PolarHBondContact O-OE1 2.94Å
82	Y	97.6	Very high	96.5	Very high	48 Å²	48	78 Å²	78	19%	0.188	39%	0.39	C	S	.	.	G	3₁₀ helix	trans	-90.6	-5.7	-178	-53.7	-69.3	0	0	0	113.1	M79 K80 D94 L101 P206 P214	M79-Y82 HydrophobicContact CE-CD2 4.05Å; M79-Y82 HydrophobicContact CE-CG 4.44Å; M79-Y82 PolarHBondContact O-N 3.46Å; M79-Y82 HydrophobicContact SD-CD2 3.81Å; M79-Y82 HydrophobicContact SD-CE2 4.35Å; K80-Y82 VanDerWaalsContact C-N 3.26Å; K80-Y82 PolarHBondContact O-N 3.38Å; Y82-D94 PolarHBondContact O-N 3.42Å; Y82-L101 HydrophobicContact CD1-CD1 4.11Å; Y82-L101 HydrophobicContact CE1-CD1 3.71Å; Y82-P206 HydrophobicContact CE2-CB 4.39Å; Y82-P206 HydrophobicContact CE2-CG 4.17Å; Y82-P214 HydrophobicContact CD1-CB 4.45Å; Y82-P214 HydrophobicContact CD1-CG 3.4Å; Y82-P214 VanDerWaalsContact CD1-CG 3.4Å; Y82-P214 HydrophobicContact CD2-CG 4.41Å; Y82-P214 HydrophobicContact CE1-CG 4.06Å; Y82-P214 HydrophobicContact CG-CB 4.24Å; Y82-P214 HydrophobicContact CG-CG 3.6Å
83	I	97.5	Very high	96.7	Very high	21 Å²	21	76.1 Å²	76.1	11%	0.108	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	119.5	-178.5	-67.6	168.3	0	0	0	108.6	R75 M79 K80 G85 D91 I92 T202	R75-I83 HydrophobicContact CG-CD1 3.63Å; M79-I83 HydrophobicContact CB-CD1 4.32Å; M79-I83 WeakPolarHBondContact O-CG1 3.45Å; M79-I83 PolarHBondContact O-N 2.91Å; K80-I83 PolarHBondContact O-N 3.35Å; I83-G85 WeakPolarHBondContact CG2-O 3.48Å; I83-D91 HydrophobicContact CD1-CB 4.41Å; I83-D91 HydrophobicContact CG2-CB 4.34Å; I83-I92 CarbonylContact C-O 3.57Å; I83-I92 WeakPolarHBondContact CG2-O 3.27Å; I83-T202 HydrophobicContact CD1-CG2 3.99Å; I83-T202 HydrophobicContact CG1-CG2 4.12Å
84	Y	97.6	Very high	96.8	Very high	178 Å²	178	71 Å²	71	70%	0.698	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	-40.6	175.2	-177.4	-101.8	0	0	0	111.9	I92	Y84-I92 PolarHBondContact N-O 3.21Å
85	G	97.1	Very high	96.9	Very high	27 Å²	27	67.3 Å²	67.3	28%	0.278	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	179.1	-168.2	-178.9	0	0	0	0	0	113.2	I83 I92	I83-G85 WeakPolarHBondContact CG2-O 3.48Å; G85-I92 PolarHBondContact N-O 3.3Å; G85-I92 PolarHBondContact O-N 2.96Å
86	C	97.1	Very high	97	Very high	65 Å²	65	70.6 Å²	70.6	44%	0.439	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	133.8	176.7	174.4	0	0	0	0	109.8	G89 I90	C86-G89 WeakPolarHBondContact SG-CA 3.3Å; C86-I90 CarbonylContact C-O 3.58Å; C86-I90 VanDerWaalsContact CA-O 3.32Å; C86-I90 WeakPolarHBondContact CA-O 3.15Å
87	R	96.8	Very high	97.1	Very high	179 Å²	179	72.2 Å²	72.2	68%	0.675	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.8	120.6	177.2	-177.1	175.6	-179.8	166.8	1.4	109.2	G89 I90 I92	R87-G89 PolarHBondContact O-N 3.25Å; R87-I90 PolarHBondContact N-O 2.75Å; R87-I90 PolarHBondContact O-N 2.91Å; R87-I92 HydrophobicContact CB-CD1 3.71Å; R87-I92 HydrophobicContact CB-CG1 4.49Å
88	Q	96	Very high	97.1	Very high	184 Å²	184	66.6 Å²	66.6	86%	0.86	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	36.3	-179.4	-62.7	178.4	-28	0	0	113.2	I90	Q88-I90 VanDerWaalsContact C-N 3.29Å; Q88-I90 PolarHBondContact O-N 3.2Å
89	G	95.3	Very high	97.1	Very high	32 Å²	32	62.8 Å²	62.8	33%	0.33	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	-2.4	179.8	0	0	0	0	0	115.4	R71 S72 C86 R87	R71-G89 CarbonylContact C-O 3.57Å; R71-G89 WeakPolarHBondContact CA-O 3.45Å; S72-G89 PolarHBondContact N-O 3.44Å; S72-G89 PolarHBondContact OG-O 3.35Å; S72-G89 VanDerWaalsContact OG-O 3.1Å; C86-G89 WeakPolarHBondContact SG-CA 3.3Å; R87-G89 PolarHBondContact O-N 3.25Å
90	I	97.2	Very high	97.1	Very high	74 Å²	74	66.1 Å²	66.1	38%	0.379	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.3	175.4	-60.7	168.3	0	0	0	109.4	G69 C86 R87 Q88	G69-I90 WeakPolarHBondContact O-CG2 3.3Å; C86-I90 CarbonylContact C-O 3.58Å; C86-I90 VanDerWaalsContact CA-O 3.32Å; C86-I90 WeakPolarHBondContact CA-O 3.15Å; R87-I90 PolarHBondContact N-O 2.75Å; R87-I90 PolarHBondContact O-N 2.91Å; Q88-I90 VanDerWaalsContact C-N 3.29Å; Q88-I90 PolarHBondContact O-N 3.2Å
91	D	98	Very high	97.1	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	141.4	179.5	-69.8	-11.2	0	0	0	111.7	G69 H70 S72 R75 I83 T202	G69-D91 PolarHBondContact N-O 3.27Å; H70-D91 PolarHBondContact O-N 3.4Å; S72-D91 WeakPolarHBondContact CA-OD1 3.41Å; S72-D91 VanDerWaalsContact CB-OD1 3.31Å; S72-D91 WeakPolarHBondContact CB-OD1 3.41Å; R75-D91 IonicContact CZ-OD1 2.79Å; R75-D91 IonicContact CZ-OD2 2.9Å; R75-D91 IonicContact NE-OD1 3.38Å; R75-D91 IonicContact NE-OD2 3.5Å; R75-D91 PolarHBondContact NE-OD2 3.39Å; R75-D91 VanDerWaalsContact NH2-CG 3.28Å; R75-D91 IonicContact NH2-OD1 3.45Å; R75-D91 PolarHBondContact NH2-OD1 2.84Å; R75-D91 IonicContact NH2-OD2 2.58Å; R75-D91 PolarHBondContact NH2-OD2 3.46Å; I83-D91 HydrophobicContact CD1-CB 4.41Å; I83-D91 HydrophobicContact CG2-CB 4.34Å; D91-T202 HydrophobicContact CB-CG2 3.79Å
92	I	98.2	Very high	97.2	Very high	44 Å²	44	59.7 Å²	59.7	23%	0.226	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.6	178.3	-59.3	177.4	0	0	0	108.2	H67 I83 Y84 G85 R87	H67-I92 HydrophobicContact CB-CG2 4.4Å; H67-I92 CarbonylContact O-C 3.36Å; H67-I92 WeakPolarHBondContact O-CA 3.36Å; I83-I92 CarbonylContact C-O 3.57Å; I83-I92 WeakPolarHBondContact CG2-O 3.27Å; Y84-I92 PolarHBondContact N-O 3.21Å; G85-I92 PolarHBondContact N-O 3.3Å; G85-I92 PolarHBondContact O-N 2.96Å; R87-I92 HydrophobicContact CB-CD1 3.71Å; R87-I92 HydrophobicContact CB-CG1 4.49Å
93	I	98.1	Very high	97.1	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.01	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	139.9	178.6	-59.2	174.7	0	0	0	109.8	H67 L95 T202 P214	H67-I93 PolarHBondContact O-N 3.17Å; I93-L95 PolarHBondContact O-N 3.43Å; I93-T202 HydrophobicContact CD1-CG2 4.27Å; I93-T202 HydrophobicContact CG1-CG2 4.02Å; I93-P214 HydrophobicContact CG2-CB 3.54Å
94	D	98	Very high	97.1	Very high	24 Å²	24	61.6 Å²	61.6	13%	0.128	31%	0.313	C	S	.	.			trans	-74.5	104.1	176.4	-175.3	-7.7	0	0	0	111.6	Y82 Q96 Q97 T98	Y82-D94 PolarHBondContact O-N 3.42Å; D94-Q96 VanDerWaalsContact C-N 3.28Å; D94-Q96 PolarHBondContact O-N 3.02Å; D94-Q96 WeakPolarHBondContact OD1-CB 3.33Å; D94-Q96 PolarHBondContact OD1-N 2.99Å; D94-Q97 HydrophobicContact CB-CB 4.32Å; D94-Q97 HydrophobicContact CB-CG 4.3Å; D94-Q97 PolarHBondContact O-N 2.97Å; D94-Q97 WeakPolarHBondContact OD2-CG 3.37Å; D94-Q97 PolarHBondContact OD2-NE2 2.95Å; D94-T98 PolarHBondContact O-N 3.35Å; D94-T98 PolarHBondContact O-OG1 3.25Å; D94-T98 VanDerWaalsContact O-OG1 3.13Å
95	L	97.5	Very high	97.1	Very high	16 Å²	16	53.1 Å²	53.1	8%	0.084	28%	0.28	C	S	.	.	H	α-helix	trans	-67.6	-22.9	-179.2	-67	-175.7	0	0	0	114.3	V58 L61 F62 V66 H67 I93 T98 C99	V58-L95 HydrophobicContact CG1-CB 4.06Å; V58-L95 HydrophobicContact CG1-CD1 4.29Å; L61-L95 HydrophobicContact CB-CD1 4.25Å; L61-L95 HydrophobicContact CB-CD2 4.03Å; F62-L95 HydrophobicContact CB-CD1 3.81Å; F62-L95 HydrophobicContact CD2-CD1 4.07Å; F62-L95 HydrophobicContact CG-CD1 4.47Å; V66-L95 HydrophobicContact CB-CD2 4.1Å; V66-L95 HydrophobicContact CG1-CD2 4.06Å; H67-L95 HydrophobicContact CB-CD1 3.94Å; H67-L95 HydrophobicContact CB-CD2 3.87Å; H67-L95 HydrophobicContact CB-CG 3.81Å; I93-L95 PolarHBondContact O-N 3.43Å; L95-T98 PolarHBondContact O-N 3.43Å; L95-C99 VanDerWaalsContact O-CB 3.29Å; L95-C99 WeakPolarHBondContact O-CB 3.46Å; L95-C99 PolarHBondContact O-N 3.43Å
96	Q	96.8	Very high	97.1	Very high	145 Å²	145	51.8 Å²	51.8	68%	0.678	27%	0.267	S	S	*	.	H	α-helix	trans	-68.4	-44.4	176.5	-66.1	-174.4	-46	0	0	109.9	D94 C99 S100	D94-Q96 VanDerWaalsContact C-N 3.28Å; D94-Q96 PolarHBondContact O-N 3.02Å; D94-Q96 WeakPolarHBondContact OD1-CB 3.33Å; D94-Q96 PolarHBondContact OD1-N 2.99Å; Q96-C99 PolarHBondContact O-N 3.13Å; Q96-S100 PolarHBondContact O-N 3.45Å
97	Q	96.3	Very high	97.1	Very high	68 Å²	68	49.9 Å²	49.9	32%	0.318	25%	0.252	S	S	.	.	H	α-helix	trans	-63.5	-45.6	172.9	-68.9	-176.4	59.7	0	0	111.3	P81 D94 C99 S100 L101	P81-Q97 PolarHBondContact O-NE2 3.39Å; P81-Q97 VanDerWaalsContact O-NE2 3.11Å; P81-Q97 PolarHBondContact O-OE1 2.94Å; D94-Q97 HydrophobicContact CB-CB 4.32Å; D94-Q97 HydrophobicContact CB-CG 4.3Å; D94-Q97 PolarHBondContact O-N 2.97Å; D94-Q97 WeakPolarHBondContact OD2-CG 3.37Å; D94-Q97 PolarHBondContact OD2-NE2 2.95Å; Q97-C99 VanDerWaalsContact C-N 3.28Å; Q97-C99 PolarHBondContact O-N 3.43Å; Q97-S100 PolarHBondContact O-N 3.2Å; Q97-L101 WeakPolarHBondContact O-CG 3.29Å; Q97-L101 PolarHBondContact O-N 3.03Å
98	T	97.5	Very high	97.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-55.3	-43.8	175	-59.4	0	0	0	0	111.9	L61 V66 D94 L95 S100 L101 M102 V213 P214	L61-T98 HydrophobicContact CD1-CG2 4.13Å; V66-T98 HydrophobicContact CG1-CG2 4.21Å; D94-T98 PolarHBondContact O-N 3.35Å; D94-T98 PolarHBondContact O-OG1 3.25Å; D94-T98 VanDerWaalsContact O-OG1 3.13Å; L95-T98 PolarHBondContact O-N 3.43Å; T98-S100 PolarHBondContact O-N 3.36Å; T98-L101 PolarHBondContact O-N 3.45Å; T98-M102 WeakPolarHBondContact O-CB 3.43Å; T98-M102 PolarHBondContact O-N 2.96Å; T98-V213 HydrophobicContact CG2-CG1 4.16Å; T98-P214 WeakPolarHBondContact CB-O 3.46Å; T98-P214 WeakPolarHBondContact CG2-O 3.25Å; T98-P214 PolarHBondContact OG1-O 3.3Å
99	C	96.4	Very high	97.2	Very high	29 Å²	29	34.6 Å²	34.6	20%	0.196	19%	0.188	C	C	.	.	H	α-helix	trans	-61.9	-44.3	-178.9	-170.1	0	0	0	0	111.9	V56 V58 L61 L95 Q96 Q97 F103	V56-C99 HydrophobicContact CG1-CB 4.44Å; V58-C99 HydrophobicContact CG2-CB 4.19Å; L61-C99 HydrophobicContact CD1-CB 4.22Å; L95-C99 VanDerWaalsContact O-CB 3.29Å; L95-C99 WeakPolarHBondContact O-CB 3.46Å; L95-C99 PolarHBondContact O-N 3.43Å; Q96-C99 PolarHBondContact O-N 3.13Å; Q97-C99 VanDerWaalsContact C-N 3.28Å; Q97-C99 PolarHBondContact O-N 3.43Å; C99-F103 PolarHBondContact O-N 3.47Å; C99-F103 VanDerWaalsContact O-N 3.07Å
100	S	96.3	Very high	97.3	Very high	71 Å²	71	33.1 Å²	33.1	50%	0.497	17%	0.172	S	C	.	.	H	α-helix	trans	-64.9	-48.9	177.5	-168.2	0	0	0	0	111.5	Q96 Q97 T98 M102 F103 D104	Q96-S100 PolarHBondContact O-N 3.45Å; Q97-S100 PolarHBondContact O-N 3.2Å; T98-S100 PolarHBondContact O-N 3.36Å; S100-M102 VanDerWaalsContact C-N 3.32Å; S100-M102 PolarHBondContact O-N 3.42Å; S100-F103 WeakPolarHBondContact O-CB 3.4Å; S100-F103 PolarHBondContact O-N 3.24Å; S100-D104 PolarHBondContact O-N 3.3Å; S100-D104 VanDerWaalsContact O-N 3.13Å
101	L	97.5	Very high	97.3	Very high	46 Å²	46	30.4 Å²	30.4	24%	0.241	16%	0.158	C	C	.	.	H	α-helix	trans	-67.7	-34.1	-178.4	-67	169.7	0	0	0	112.1	Y82 Q97 T98 D104 A105 P214	Y82-L101 HydrophobicContact CD1-CD1 4.11Å; Y82-L101 HydrophobicContact CE1-CD1 3.71Å; Q97-L101 WeakPolarHBondContact O-CG 3.29Å; Q97-L101 PolarHBondContact O-N 3.03Å; T98-L101 PolarHBondContact O-N 3.45Å; L101-D104 PolarHBondContact O-N 3.47Å; L101-A105 WeakPolarHBondContact O-CB 3.14Å; L101-A105 PolarHBondContact O-N 3.34Å; L101-P214 HydrophobicContact CD1-CG 3.84Å
102	M	97.5	Very high	97.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.7	-44.1	173.1	-178.8	63	83.2	0	0	110.9	V56 T98 S100 D104 A105 L106 V213 F226 L229 F230	V56-M102 HydrophobicContact CG1-CB 4.32Å; V56-M102 HydrophobicContact CG1-CG 4.12Å; V56-M102 HydrophobicContact CG2-CG 3.76Å; T98-M102 WeakPolarHBondContact O-CB 3.43Å; T98-M102 PolarHBondContact O-N 2.96Å; S100-M102 VanDerWaalsContact C-N 3.32Å; S100-M102 PolarHBondContact O-N 3.42Å; M102-D104 VanDerWaalsContact C-N 3.33Å; M102-D104 PolarHBondContact O-N 3.07Å; M102-A105 PolarHBondContact O-N 3.32Å; M102-L106 HydrophobicContact CG-CD1 3.78Å; M102-L106 HydrophobicContact CG-CG 4.13Å; M102-L106 WeakPolarHBondContact O-CB 3.21Å; M102-L106 WeakPolarHBondContact O-CG 3.41Å; M102-L106 PolarHBondContact O-N 3.3Å; M102-L106 HydrophobicContact SD-CD1 4.15Å; M102-L106 HydrophobicContact SD-CD2 4.33Å; M102-L106 HydrophobicContact SD-CG 3.97Å; M102-V213 HydrophobicContact CB-CG1 4.12Å; M102-V213 HydrophobicContact CE-CG1 3.57Å; M102-V213 HydrophobicContact SD-CG1 4.12Å; M102-F226 HydrophobicContact CE-CD1 3.24Å; M102-F226 HydrophobicContact CE-CE1 3.22Å; M102-F226 HydrophobicContact CE-CG 4.46Å; M102-F226 HydrophobicContact CE-CZ 4.44Å; M102-L229 HydrophobicContact CE-CD1 4.17Å; M102-L229 HydrophobicContact CG-CD1 4.43Å; M102-L229 HydrophobicContact SD-CD1 4.46Å; M102-F230 HydrophobicContact SD-CZ 4.31Å
103	F	96.8	Very high	97.3	Very high	42 Å²	42	29.5 Å²	29.5	18%	0.184	15%	0.154	C	C	.	.	H	α-helix	trans	-58.3	-47	176.1	173.2	-96.1	0	0	0	111.3	D48 L52 K53 C99 S100 A105 L106 N107	D48-F103 HydrophobicContact CB-CE2 4.37Å; D48-F103 HydrophobicContact CB-CZ 4.04Å; L52-F103 HydrophobicContact CB-CD2 4.32Å; L52-F103 HydrophobicContact CB-CE2 4.06Å; K53-F103 HydrophobicContact CB-CE2 4.12Å; C99-F103 PolarHBondContact O-N 3.47Å; C99-F103 VanDerWaalsContact O-N 3.07Å; S100-F103 WeakPolarHBondContact O-CB 3.4Å; S100-F103 PolarHBondContact O-N 3.24Å; F103-A105 VanDerWaalsContact C-N 3.34Å; F103-A105 PolarHBondContact O-N 2.86Å; F103-L106 PolarHBondContact O-N 3.33Å; F103-N107 VanDerWaalsContact O-CB 3.3Å; F103-N107 WeakPolarHBondContact O-CB 3.42Å; F103-N107 PolarHBondContact O-N 2.71Å
104	D	96.8	Very high	97.2	Very high	67 Å²	67	31.5 Å²	31.5	36%	0.358	16%	0.162	S	C	.	.	H	α-helix	trans	-61.5	-42.7	178.4	-65	-27	0	0	0	111.8	S100 L101 M102 N107 F108 Y211	S100-D104 PolarHBondContact O-N 3.3Å; S100-D104 VanDerWaalsContact O-N 3.13Å; L101-D104 PolarHBondContact O-N 3.47Å; M102-D104 VanDerWaalsContact C-N 3.33Å; M102-D104 PolarHBondContact O-N 3.07Å; D104-N107 PolarHBondContact O-N 2.87Å; D104-F108 WeakPolarHBondContact O-CB 3.4Å; D104-F108 PolarHBondContact O-N 2.89Å; D104-Y211 HydrophobicContact CB-CD1 4.41Å
105	A	97.8	Very high	97.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-45.1	176.7	0	0	0	0	0	112.5	L101 M102 F103 F108 A109 I197 V213	L101-A105 WeakPolarHBondContact O-CB 3.14Å; L101-A105 PolarHBondContact O-N 3.34Å; M102-A105 PolarHBondContact O-N 3.32Å; F103-A105 VanDerWaalsContact C-N 3.34Å; F103-A105 PolarHBondContact O-N 2.86Å; A105-F108 PolarHBondContact O-N 3.42Å; A105-A109 WeakPolarHBondContact O-CB 3.45Å; A105-A109 PolarHBondContact O-N 2.89Å; A105-I197 HydrophobicContact CB-CD1 4.27Å; A105-I197 HydrophobicContact CB-CG1 4.3Å; A105-I197 HydrophobicContact CB-CG2 3.81Å; A105-I197 VanDerWaalsContact O-CD1 3.25Å; A105-I197 WeakPolarHBondContact O-CD1 3.36Å; A105-V213 HydrophobicContact CB-CG2 3.67Å
106	L	97.9	Very high	97	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-41.2	177.6	-68.9	172.7	0	0	0	111.4	L52 L55 V56 M102 F103 A109 A110 L229 F230 A233	L52-L106 HydrophobicContact CD1-CB 4.2Å; L55-L106 HydrophobicContact CD2-CD1 4.34Å; V56-L106 HydrophobicContact CG2-CD1 3.42Å; V56-L106 VanDerWaalsContact CG2-CD1 3.42Å; M102-L106 HydrophobicContact CG-CD1 3.78Å; M102-L106 HydrophobicContact CG-CG 4.13Å; M102-L106 WeakPolarHBondContact O-CB 3.21Å; M102-L106 WeakPolarHBondContact O-CG 3.41Å; M102-L106 PolarHBondContact O-N 3.3Å; M102-L106 HydrophobicContact SD-CD1 4.15Å; M102-L106 HydrophobicContact SD-CD2 4.33Å; M102-L106 HydrophobicContact SD-CG 3.97Å; F103-L106 PolarHBondContact O-N 3.33Å; L106-A109 PolarHBondContact O-N 2.97Å; L106-A110 WeakPolarHBondContact O-CB 3.48Å; L106-A110 PolarHBondContact O-N 2.95Å; L106-L229 HydrophobicContact CD1-CB 4.34Å; L106-L229 HydrophobicContact CD2-CB 4.08Å; L106-F230 HydrophobicContact CD2-CD1 3.56Å; L106-F230 HydrophobicContact CD2-CE1 3.82Å; L106-F230 HydrophobicContact CD2-CG 4.08Å; L106-A233 HydrophobicContact CB-CB 4.12Å; L106-A233 HydrophobicContact CD2-CB 3.81Å; L106-A233 HydrophobicContact CG-CB 4.5Å
107	N	96.8	Very high	97	Very high	25 Å²	25	36.8 Å²	36.8	13%	0.134	18%	0.181	C	C	.	.	H	α-helix	trans	-62.9	-44.2	176.7	-169.7	34.5	0	0	0	111.1	L52 F103 D104 A110 H111	L52-N107 HydrophobicContact CD1-CB 4.26Å; F103-N107 VanDerWaalsContact O-CB 3.3Å; F103-N107 WeakPolarHBondContact O-CB 3.42Å; F103-N107 PolarHBondContact O-N 2.71Å; D104-N107 PolarHBondContact O-N 2.87Å; N107-A110 PolarHBondContact O-N 3.1Å; N107-H111 PolarHBondContact O-CD2 3.02Å; N107-H111 PolarHBondContact O-N 3.37Å; N107-H111 PolarHBondContact OD1-CD2 3.39Å; N107-H111 PolarHBondContact OD1-NE2 3.11Å
108	F	97.6	Very high	97	Very high	42 Å²	42	35.1 Å²	35.1	18%	0.184	17%	0.174	C	C	.	.	H	α-helix	trans	-60.8	-47.3	175.2	-170.3	-99.1	0	0	0	111.9	D104 A105 A110 H111 I112 L169 P195 I197 Y211	D104-F108 WeakPolarHBondContact O-CB 3.4Å; D104-F108 PolarHBondContact O-N 2.89Å; A105-F108 PolarHBondContact O-N 3.42Å; F108-A110 VanDerWaalsContact C-N 3.33Å; F108-A110 PolarHBondContact O-N 3.42Å; F108-H111 PolarHBondContact O-N 2.89Å; F108-I112 HydrophobicContact CD1-CG1 4.17Å; F108-I112 HydrophobicContact CE1-CD1 4.16Å; F108-I112 HydrophobicContact CE1-CG1 3.85Å; F108-I112 HydrophobicContact CZ-CD1 4.08Å; F108-I112 HydrophobicContact CZ-CG1 4.23Å; F108-I112 WeakPolarHBondContact O-CG1 3.32Å; F108-I112 PolarHBondContact O-N 3.42Å; F108-L169 HydrophobicContact CD1-CD1 4.18Å; F108-L169 HydrophobicContact CD1-CD2 4.5Å; F108-L169 HydrophobicContact CE1-CD1 4.02Å; F108-P195 HydrophobicContact CE1-CB 3.89Å; F108-P195 HydrophobicContact CE1-CG 3.92Å; F108-P195 HydrophobicContact CZ-CB 3.94Å; F108-P195 HydrophobicContact CZ-CG 3.94Å; F108-I197 HydrophobicContact CD1-CD1 4.26Å; F108-Y211 HydrophobicContact CB-CE2 4.18Å; F108-Y211 HydrophobicContact CD1-CD2 4.17Å; F108-Y211 AromaticContact CD1-CE2 3.83Å; F108-Y211 HydrophobicContact CD1-CE2 3.83Å; F108-Y211 AromaticContact CD2-CE2 3.66Å; F108-Y211 HydrophobicContact CD2-CE2 3.66Å; F108-Y211 AromaticContact CD2-CZ 3.69Å; F108-Y211 WeakPolarHBondContact CD2-OH 3.45Å; F108-Y211 HydrophobicContact CE1-CE2 4.1Å; F108-Y211 AromaticContact CE2-CE2 3.95Å; F108-Y211 HydrophobicContact CE2-CE2 3.95Å; F108-Y211 HydrophobicContact CG-CD2 4.21Å; F108-Y211 AromaticContact CG-CE2 3.59Å; F108-Y211 HydrophobicContact CG-CE2 3.59Å; F108-Y211 AromaticContact CG-CZ 3.88Å; F108-Y211 HydrophobicContact CZ-CE2 4.16Å
109	A	97.9	Very high	97	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-59.9	-42.3	177.1	0	0	0	0	0	112.3	A105 L106 I112 A113 L169 I197 F230 I234	A105-A109 WeakPolarHBondContact O-CB 3.45Å; A105-A109 PolarHBondContact O-N 2.89Å; L106-A109 PolarHBondContact O-N 2.97Å; A109-I112 PolarHBondContact O-N 2.85Å; A109-A113 WeakPolarHBondContact O-CB 3.47Å; A109-A113 PolarHBondContact O-N 3.48Å; A109-L169 HydrophobicContact CB-CD2 3.99Å; A109-I197 HydrophobicContact CB-CD1 3.96Å; A109-F230 HydrophobicContact CB-CD1 4.42Å; A109-I234 HydrophobicContact CB-CG1 4.45Å
110	A	97.4	Very high	97.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.5	-38.8	177.3	0	0	0	0	0	112.3	F50 L52 L106 N107 F108 A113 Y114	F50-A110 HydrophobicContact CB-CB 4.46Å; F50-A110 HydrophobicContact CD1-CB 4.43Å; F50-A110 HydrophobicContact CD2-CB 3.4Å; F50-A110 HydrophobicContact CE2-CB 3.57Å; F50-A110 HydrophobicContact CG-CB 3.86Å; F50-A110 HydrophobicContact CZ-CB 4.17Å; L52-A110 HydrophobicContact CD1-CB 3.99Å; L106-A110 WeakPolarHBondContact O-CB 3.48Å; L106-A110 PolarHBondContact O-N 2.95Å; N107-A110 PolarHBondContact O-N 3.1Å; F108-A110 VanDerWaalsContact C-N 3.33Å; F108-A110 PolarHBondContact O-N 3.42Å; A110-A113 PolarHBondContact O-N 3.43Å; A110-Y114 WeakPolarHBondContact O-CB 3.48Å; A110-Y114 PolarHBondContact O-N 2.99Å
111	H	97.1	Very high	97.2	Very high	17 Å²	17	31.2 Å²	31.2	8%	0.079	15%	0.146	C	C	.	.	H	α-helix	trans	-66.2	-37.7	173.8	-80.8	-62	0	0	0	113.3	P43 F50 N107 F108 Y114 R115	P43-H111 PolarHBondContact O-CE1 2.93Å; F50-H111 HydrophobicContact CE2-CB 4.34Å; F50-H111 AromaticContact CE2-CD2 3.72Å; F50-H111 AromaticContact CE2-CE1 3.49Å; F50-H111 VanDerWaalsContact CE2-CE1 3.49Å; F50-H111 WeakPolarHBondContact CE2-CE1 3.45Å; F50-H111 AromaticContact CE2-CG 3.59Å; F50-H111 AromaticContact CE2-ND1 3.45Å; F50-H111 WeakPolarHBondContact CE2-ND1 3.42Å; F50-H111 AromaticContact CE2-NE2 3.68Å; F50-H111 HydrophobicContact CZ-CB 4.46Å; F50-H111 AromaticContact CZ-CE1 3.76Å; F50-H111 AromaticContact CZ-CG 3.88Å; F50-H111 AromaticContact CZ-ND1 3.43Å; F50-H111 WeakPolarHBondContact CZ-ND1 3.27Å; N107-H111 PolarHBondContact O-CD2 3.02Å; N107-H111 PolarHBondContact O-N 3.37Å; N107-H111 PolarHBondContact OD1-CD2 3.39Å; N107-H111 PolarHBondContact OD1-NE2 3.11Å; F108-H111 PolarHBondContact O-N 2.89Å; H111-Y114 PolarHBondContact O-N 3Å; H111-R115 WeakPolarHBondContact O-CG 3.14Å; H111-R115 PolarHBondContact O-N 2.94Å; H111-R115 VanDerWaalsContact O-N 3.15Å
112	I	97.5	Very high	97.1	Very high	23 Å²	23	29 Å²	29	12%	0.118	13%	0.134	C	C	.	.	H	α-helix	trans	-65.1	-44.5	174.3	-64.4	-64.3	0	0	0	110.2	F108 A109 Y114 R115 Q116 G117 I119 D168 L169	F108-I112 HydrophobicContact CD1-CG1 4.17Å; F108-I112 HydrophobicContact CE1-CD1 4.16Å; F108-I112 HydrophobicContact CE1-CG1 3.85Å; F108-I112 HydrophobicContact CZ-CD1 4.08Å; F108-I112 HydrophobicContact CZ-CG1 4.23Å; F108-I112 WeakPolarHBondContact O-CG1 3.32Å; F108-I112 PolarHBondContact O-N 3.42Å; A109-I112 PolarHBondContact O-N 2.85Å; I112-Y114 VanDerWaalsContact C-N 3.34Å; I112-Y114 PolarHBondContact O-N 2.94Å; I112-R115 CarbonylContact O-C 3.48Å; I112-R115 PolarHBondContact O-N 3.34Å; I112-R115 VanDerWaalsContact O-N 3.15Å; I112-Q116 PolarHBondContact O-N 3.18Å; I112-G117 PolarHBondContact O-N 3.05Å; I112-I119 HydrophobicContact CG2-CD1 4.31Å; I112-I119 HydrophobicContact CG2-CG1 3.95Å; I112-D168 HydrophobicContact CG2-CB 4.39Å; I112-L169 HydrophobicContact CB-CD2 4.31Å; I112-L169 HydrophobicContact CG1-CB 4.3Å; I112-L169 HydrophobicContact CG1-CD2 4.25Å; I112-L169 HydrophobicContact CG2-CB 3.99Å; I112-L169 HydrophobicContact CG2-CD2 4.48Å
113	A	97.3	Very high	96.9	Very high	3 Å²	3	29.1 Å²	29.1	3%	0.025	14%	0.135	C	C	.	.	H	α-helix	trans	-61.4	-41.5	175.7	0	0	0	0	0	112.2	A109 A110 R115 Q116 I119 I234 K238	A109-A113 WeakPolarHBondContact O-CB 3.47Å; A109-A113 PolarHBondContact O-N 3.48Å; A110-A113 PolarHBondContact O-N 3.43Å; A113-R115 PolarHBondContact O-N 3.13Å; A113-Q116 PolarHBondContact O-N 3.18Å; A113-Q116 VanDerWaalsContact O-N 3.1Å; A113-I119 HydrophobicContact CB-CD1 4.22Å; A113-I234 HydrophobicContact CB-CB 4.35Å; A113-I234 HydrophobicContact CB-CG2 3.8Å; A113-K238 HydrophobicContact CB-CG 4.28Å
114	Y	96.3	Very high	96.6	Very high	44 Å²	44	28.5 Å²	28.5	17%	0.173	13%	0.133	C	C	.	.	H	α-helix	trans	-59.1	-35.3	175.6	177.4	-91	0	0	0	112.2	P43 Y49 F50 A110 H111 I112 Q116 T240 A241 D244	P43-Y114 HydrophobicContact CB-CE1 4.46Å; P43-Y114 HydrophobicContact CG-CD1 4.39Å; P43-Y114 HydrophobicContact CG-CE1 3.86Å; Y49-Y114 HydrophobicContact CE1-CE2 4.28Å; F50-Y114 AromaticContact CE1-CD2 3.97Å; F50-Y114 HydrophobicContact CE1-CD2 3.97Å; F50-Y114 HydrophobicContact CE1-CG 4.18Å; F50-Y114 HydrophobicContact CZ-CG 4.31Å; A110-Y114 WeakPolarHBondContact O-CB 3.48Å; A110-Y114 PolarHBondContact O-N 2.99Å; H111-Y114 PolarHBondContact O-N 3Å; I112-Y114 VanDerWaalsContact C-N 3.34Å; I112-Y114 PolarHBondContact O-N 2.94Å; Y114-Q116 VanDerWaalsContact C-N 3.29Å; Y114-Q116 PolarHBondContact O-N 3.33Å; Y114-T240 HydrophobicContact CD2-CG2 4.32Å; Y114-T240 HydrophobicContact CE2-CG2 4.23Å; Y114-A241 HydrophobicContact CD2-CB 3.62Å; Y114-A241 VanDerWaalsContact CE2-CA 3.47Å; Y114-A241 HydrophobicContact CE2-CB 3.98Å; Y114-A241 HydrophobicContact CG-CB 4.15Å; Y114-A241 WeakPolarHBondContact O-CB 3.31Å; Y114-D244 HydrophobicContact CE2-CB 4.31Å; Y114-D244 WeakPolarHBondContact CE2-OD2 3.2Å; Y114-D244 PolarHBondContact OH-OD2 3.04Å
115	R	95.7	Very high	96.3	Very high	144 Å²	144	27.5 Å²	27.5	54%	0.543	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	9.9	178.8	-67.5	176.3	176.9	176.7	-0.8	114	H111 I112 A113 G117	H111-R115 WeakPolarHBondContact O-CG 3.14Å; H111-R115 PolarHBondContact O-N 2.94Å; H111-R115 VanDerWaalsContact O-N 3.15Å; I112-R115 CarbonylContact O-C 3.48Å; I112-R115 PolarHBondContact O-N 3.34Å; I112-R115 VanDerWaalsContact O-N 3.15Å; A113-R115 PolarHBondContact O-N 3.13Å; R115-G117 PolarHBondContact O-N 3.02Å
116	Q	95.5	Very high	95.9	Very high	143 Å²	143	35.7 Å²	35.7	67%	0.668	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	37.1	-176.7	-54.1	176.5	-6.3	0	0	112.5	I112 A113 Y114 R165	I112-Q116 PolarHBondContact O-N 3.18Å; A113-Q116 PolarHBondContact O-N 3.18Å; A113-Q116 VanDerWaalsContact O-N 3.1Å; Y114-Q116 VanDerWaalsContact C-N 3.29Å; Y114-Q116 PolarHBondContact O-N 3.33Å; Q116-R165 PolarHBondContact O-NH2 2.78Å
117	G	96.6	Very high	95.6	Very high	9 Å²	9	42.4 Å²	42.4	9%	0.093	19%	0.194	C	C	.	.			trans	-77.9	150.9	172.8	0	0	0	0	0	112	I112 R115 D168	I112-G117 PolarHBondContact O-N 3.05Å; R115-G117 PolarHBondContact O-N 3.02Å; G117-D168 WeakPolarHBondContact CA-OD2 3.22Å
118	I	97.4	Very high	95.4	Very high	32 Å²	32	41.9 Å²	41.9	16%	0.164	19%	0.191	C	C	.	.			trans	-80.7	121.2	178.2	-65.2	177.4	0	0	0	109.3	Y142 R165 P167 D168 L169	I118-Y142 HydrophobicContact CG1-CE2 4.46Å; I118-Y142 HydrophobicContact CG2-CD2 3.63Å; I118-Y142 HydrophobicContact CG2-CE2 3.81Å; I118-R165 HydrophobicContact CD1-CB 4.29Å; I118-R165 HydrophobicContact CD1-CG 3.87Å; I118-P167 HydrophobicContact CG2-CB 4Å; I118-D168 PolarHBondContact N-OD2 2.89Å; I118-D168 PolarHBondContact O-N 3.49Å; I118-L169 PolarHBondContact O-N 3.32Å; I118-L169 VanDerWaalsContact O-N 3.12Å
119	I	98.1	Very high	95.2	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.5	175.6	-53.7	178.2	0	0	0	109.3	I112 A113 F121 E141 Y142 L169 I234	I112-I119 HydrophobicContact CG2-CD1 4.31Å; I112-I119 HydrophobicContact CG2-CG1 3.95Å; A113-I119 HydrophobicContact CB-CD1 4.22Å; I119-F121 HydrophobicContact CG2-CD2 4.47Å; I119-F121 HydrophobicContact CG2-CE2 4.13Å; I119-E141 HydrophobicContact CB-CG 4.19Å; I119-E141 WeakPolarHBondContact CB-OE2 3.43Å; I119-E141 PolarHBondContact N-OE2 3.39Å; I119-E141 VanDerWaalsContact N-OE2 3.08Å; I119-Y142 PolarHBondContact O-N 3.33Å; I119-L169 WeakPolarHBondContact CA-O 3.48Å; I119-L169 HydrophobicContact CD1-CD2 4.2Å; I119-L169 HydrophobicContact CG1-CB 4.34Å; I119-L169 HydrophobicContact CG1-CD2 4.16Å; I119-L169 HydrophobicContact CG2-CD2 4.15Å; I119-L169 HydrophobicContact CG2-CG 4.3Å; I119-I234 HydrophobicContact CD1-CD1 3.74Å; I119-I234 HydrophobicContact CD1-CG1 3.79Å; I119-I234 HydrophobicContact CD1-CG2 4.25Å; I119-I234 HydrophobicContact CG2-CD1 4.33Å
120	L	97.8	Very high	95.1	Very high	19 Å²	19	45 Å²	45	10%	0.099	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	115.1	177.2	-179.3	66.2	0	0	0	111.2	M122 Y142 H144 F153 P167 L169 I170 L171	L120-M122 HydrophobicContact CD2-CG 4.33Å; L120-M122 HydrophobicContact CD2-SD 3.8Å; L120-M122 HydrophobicContact CG-CG 4.24Å; L120-M122 HydrophobicContact CG-SD 4.03Å; L120-Y142 WeakPolarHBondContact CA-O 3.42Å; L120-H144 HydrophobicContact CD1-CB 4.05Å; L120-F153 HydrophobicContact CD2-CE1 4.12Å; L120-F153 HydrophobicContact CD2-CZ 3.83Å; L120-P167 HydrophobicContact CB-CB 3.86Å; L120-P167 HydrophobicContact CB-CG 4.24Å; L120-P167 HydrophobicContact CD2-CG 4.14Å; L120-L169 PolarHBondContact N-O 2.83Å; L120-I170 HydrophobicContact CB-CG1 4.39Å; L120-I170 WeakPolarHBondContact O-CA 3.43Å; L120-L171 PolarHBondContact O-N 3.37Å
121	F	97.4	Very high	95.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	127.7	171.6	-72	-98.2	0	0	0	110.8	I119 I132 A136 I139 E141 Y142 S143 H144 L171 L173 F230 I234	I119-F121 HydrophobicContact CG2-CD2 4.47Å; I119-F121 HydrophobicContact CG2-CE2 4.13Å; F121-I132 HydrophobicContact CB-CG2 3.98Å; F121-A136 HydrophobicContact CD2-CB 4.05Å; F121-I139 HydrophobicContact CE2-CD1 4.47Å; F121-I139 HydrophobicContact CZ-CD1 4.21Å; F121-E141 HydrophobicContact CD2-CB 4.31Å; F121-E141 HydrophobicContact CE2-CB 3.98Å; F121-E141 HydrophobicContact CE2-CG 4.4Å; F121-Y142 PolarHBondContact N-O 2.96Å; F121-S143 CarbonylContact O-C 3.5Å; F121-S143 VanDerWaalsContact O-CA 3.28Å; F121-S143 WeakPolarHBondContact O-CA 3.25Å; F121-H144 PolarHBondContact O-N 3.23Å; F121-L171 HydrophobicContact CD1-CB 4.45Å; F121-L171 HydrophobicContact CD1-CD1 4.05Å; F121-L171 HydrophobicContact CD1-CD2 3.92Å; F121-L171 HydrophobicContact CD1-CG 4.38Å; F121-L171 HydrophobicContact CE1-CD1 3.55Å; F121-L171 HydrophobicContact CE1-CD2 4.11Å; F121-L171 HydrophobicContact CE1-CG 4.34Å; F121-L171 HydrophobicContact CZ-CD1 3.99Å; F121-L173 HydrophobicContact CD1-CD1 4.42Å; F121-F230 HydrophobicContact CE1-CB 4.18Å; F121-F230 HydrophobicContact CZ-CB 4.37Å; F121-I234 HydrophobicContact CE2-CD1 4.05Å; F121-I234 HydrophobicContact CZ-CD1 3.7Å
122	M	95.2	Very high	95	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	128.7	-178.4	-67.9	-66.9	-65.3	0	0	110.5	L120 H144 W148 I170 L171 F172 L173 H183 A185	L120-M122 HydrophobicContact CD2-CG 4.33Å; L120-M122 HydrophobicContact CD2-SD 3.8Å; L120-M122 HydrophobicContact CG-CG 4.24Å; L120-M122 HydrophobicContact CG-SD 4.03Å; M122-H144 HydrophobicContact SD-CB 3.59Å; M122-H144 VanDerWaalsContact SD-CB 3.59Å; M122-W148 HydrophobicContact CE-CD2 4.15Å; M122-W148 HydrophobicContact CE-CE3 3.44Å; M122-W148 VanDerWaalsContact CE-CE3 3.44Å; M122-W148 HydrophobicContact CE-CZ3 3.7Å; M122-W148 HydrophobicContact SD-CE3 4.46Å; M122-W148 HydrophobicContact SD-CZ3 4.21Å; M122-I170 HydrophobicContact CB-CG2 4.32Å; M122-I170 HydrophobicContact CG-CG2 3.46Å; M122-I170 VanDerWaalsContact CG-CG2 3.46Å; M122-L171 PolarHBondContact N-O 2.89Å; M122-F172 HydrophobicContact CB-CD1 3.51Å; M122-F172 HydrophobicContact CB-CE1 3.63Å; M122-F172 HydrophobicContact CB-CG 4.24Å; M122-F172 HydrophobicContact CB-CZ 4.44Å; M122-F172 HydrophobicContact CE-CE1 4.33Å; M122-F172 HydrophobicContact CG-CD1 4.23Å; M122-F172 HydrophobicContact CG-CE1 3.87Å; M122-F172 HydrophobicContact CG-CZ 4.28Å; M122-L173 PolarHBondContact O-N 2.93Å; M122-H183 VanDerWaalsContact CE-CE1 3.43Å; M122-H183 WeakPolarHBondContact CE-CE1 3.43Å; M122-A185 HydrophobicContact CE-CB 3.94Å
123	H	94.1	Very high	95	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.005	23%	0.231	C	C	.	.			trans	-160.5	148.8	173.5	-163.9	68.2	0	0	0	111	N125 I132 C145 L173 S174	H123-N125 PolarHBondContact CD2-N 2.79Å; H123-N125 WeakPolarHBondContact NE2-CB 3.08Å; H123-I132 HydrophobicContact CB-CD1 3.34Å; H123-I132 WeakPolarHBondContact CD2-CD1 3.38Å; H123-C145 CarbonylContact O-C 3.57Å; H123-C145 VanDerWaalsContact O-CA 3.26Å; H123-C145 WeakPolarHBondContact O-CA 3.44Å; H123-L173 HydrophobicContact CB-CB 4.38Å; H123-S174 WeakPolarHBondContact ND1-CB 2.99Å; H123-S174 PolarHBondContact ND1-N 3.49Å
124	Q	91	Very high	95	Very high	30 Å²	30	54.5 Å²	54.5	14%	0.14	26%	0.257	C	S	.	.			trans	-121.4	-1.1	-179.7	-72.7	-164.4	-6.9	0	0	114.5	K126 S178 H183	Q124-K126 PolarHBondContact O-N 3.25Å; Q124-S178 PolarHBondContact O-OG 3.04Å; Q124-H183 VanDerWaalsContact CD-CD2 3.42Å; Q124-H183 PolarHBondContact NE2-CD2 3.37Å; Q124-H183 VanDerWaalsContact NE2-CD2 3.28Å; Q124-H183 PolarHBondContact NE2-NE2 3.07Å
125	N	90	Very high	95	Very high	46 Å²	46	53.3 Å²	53.3	25%	0.246	26%	0.255	C	S	.	.			trans	-72.6	114	174.9	-171.1	-13.5	0	0	0	110	H123 Q127 M128 L129	H123-N125 PolarHBondContact CD2-N 2.79Å; H123-N125 WeakPolarHBondContact NE2-CB 3.08Å; N125-Q127 PolarHBondContact O-N 3.15Å; N125-Q127 VanDerWaalsContact O-N 3.07Å; N125-Q127 PolarHBondContact OD1-N 2.88Å; N125-Q127 VanDerWaalsContact OD1-N 3.09Å; N125-M128 PolarHBondContact O-N 2.93Å; N125-L129 WeakPolarHBondContact O-CD2 3.16Å; N125-L129 WeakPolarHBondContact O-CG 3.4Å; N125-L129 PolarHBondContact O-N 3.12Å
126	K	90.4	Very high	95.1	Very high	171 Å²	171	46.5 Å²	46.5	74%	0.743	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-32	179.8	-65.9	-175	-178.4	179.7	0	113.4	Q124	Q124-K126 PolarHBondContact O-N 3.25Å
127	Q	90.7	Very high	95.2	Very high	141 Å²	141	46.9 Å²	46.9	66%	0.659	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-34.5	-178.2	-61.6	-178.1	-7.3	0	0	112.4	N125	N125-Q127 PolarHBondContact O-N 3.15Å; N125-Q127 VanDerWaalsContact O-N 3.07Å; N125-Q127 PolarHBondContact OD1-N 2.88Å; N125-Q127 VanDerWaalsContact OD1-N 3.09Å
128	M	92.9	Very high	95.2	Very high	15 Å²	15	52.1 Å²	52.1	7%	0.074	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-4.5	-172.5	-62.1	-60.8	109.6	0	0	113.3	N125 L131 I132 P220 V223	N125-M128 PolarHBondContact O-N 2.93Å; M128-L131 WeakPolarHBondContact O-CB 3.45Å; M128-L131 PolarHBondContact O-N 2.88Å; M128-L131 HydrophobicContact SD-CD2 4.3Å; M128-I132 HydrophobicContact CB-CD1 4.02Å; M128-I132 WeakPolarHBondContact O-CG1 2.89Å; M128-I132 PolarHBondContact O-N 3.22Å; M128-P220 HydrophobicContact CE-CB 3.75Å; M128-P220 HydrophobicContact CE-CG 3.79Å; M128-P220 HydrophobicContact SD-CB 4.02Å; M128-V223 HydrophobicContact CB-CG1 4.18Å; M128-V223 HydrophobicContact CG-CB 4.31Å; M128-V223 HydrophobicContact CG-CG1 4.01Å; M128-V223 HydrophobicContact CG-CG2 4.36Å; M128-V223 HydrophobicContact SD-CB 4.25Å; M128-V223 HydrophobicContact SD-CG1 4.26Å
129	L	93	Very high	95.1	Very high	21 Å²	21	51.5 Å²	51.5	11%	0.11	25%	0.253	C	S	.	.	H	α-helix	trans	-54.8	-48.2	-176.5	-52.1	-176.2	0	0	0	113.5	N125 L131 I132 E133 C145	N125-L129 WeakPolarHBondContact O-CD2 3.16Å; N125-L129 WeakPolarHBondContact O-CG 3.4Å; N125-L129 PolarHBondContact O-N 3.12Å; L129-L131 VanDerWaalsContact C-N 3.25Å; L129-L131 PolarHBondContact O-N 2.7Å; L129-I132 PolarHBondContact O-N 3.08Å; L129-I132 VanDerWaalsContact O-N 3.16Å; L129-E133 WeakPolarHBondContact O-CB 3.36Å; L129-E133 WeakPolarHBondContact O-CG 3.21Å; L129-E133 PolarHBondContact O-N 3.44Å; L129-C145 HydrophobicContact CB-CB 4.28Å; L129-C145 HydrophobicContact CD2-CB 3.69Å; L129-C145 VanDerWaalsContact CD2-O 3.31Å; L129-C145 WeakPolarHBondContact CD2-O 3.43Å; L129-C145 HydrophobicContact CG-CB 4.35Å
130	P	95.9	Very high	95	Very high	87 Å²	87	54 Å²	54	57%	0.565	28%	0.279	S	S	*	.	H	α-helix	trans	-63.7	-33.8	-177	-20.6	33.4	0	0	0	112.6	K134	P130-K134 WeakPolarHBondContact O-CB 3.45Å; P130-K134 PolarHBondContact O-N 2.68Å; P130-K134 VanDerWaalsContact O-N 3.09Å
131	L	96.3	Very high	95	Very high	55 Å²	55	54 Å²	54	29%	0.288	28%	0.279	S	S	.	.	H	α-helix	trans	-64.6	-45.3	177.4	172	69.8	0	0	0	110.7	M128 L129 T135 V223 R224	M128-L131 WeakPolarHBondContact O-CB 3.45Å; M128-L131 PolarHBondContact O-N 2.88Å; M128-L131 HydrophobicContact SD-CD2 4.3Å; L129-L131 VanDerWaalsContact C-N 3.25Å; L129-L131 PolarHBondContact O-N 2.7Å; L131-T135 VanDerWaalsContact O-CB 3.32Å; L131-T135 WeakPolarHBondContact O-CB 3.45Å; L131-T135 PolarHBondContact O-N 3.12Å; L131-T135 PolarHBondContact O-OG1 3.47Å; L131-V223 HydrophobicContact CD2-CG1 4.27Å; L131-R224 HydrophobicContact CD1-CG 4.12Å; L131-R224 HydrophobicContact CD2-CB 4.36Å; L131-R224 HydrophobicContact CD2-CG 3.43Å; L131-R224 VanDerWaalsContact CD2-CG 3.43Å; L131-R224 HydrophobicContact CG-CG 4.43Å
132	I	96.3	Very high	95	Very high	0 Å²	0	61 Å²	61	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-74.4	-43.4	-174.2	-62.2	166	0	0	0	110.5	F121 H123 M128 L129 K134 T135 A136 L173 V223	F121-I132 HydrophobicContact CB-CG2 3.98Å; H123-I132 HydrophobicContact CB-CD1 3.34Å; H123-I132 WeakPolarHBondContact CD2-CD1 3.38Å; M128-I132 HydrophobicContact CB-CD1 4.02Å; M128-I132 WeakPolarHBondContact O-CG1 2.89Å; M128-I132 PolarHBondContact O-N 3.22Å; L129-I132 PolarHBondContact O-N 3.08Å; L129-I132 VanDerWaalsContact O-N 3.16Å; I132-K134 VanDerWaalsContact C-N 3.34Å; I132-K134 PolarHBondContact O-N 2.93Å; I132-T135 PolarHBondContact O-N 3.3Å; I132-A136 WeakPolarHBondContact O-CB 3.3Å; I132-A136 PolarHBondContact O-N 3.18Å; I132-L173 HydrophobicContact CB-CD1 4.37Å; I132-L173 HydrophobicContact CD1-CD1 3.51Å; I132-L173 HydrophobicContact CG1-CD1 3.53Å; I132-L173 HydrophobicContact CG2-CD1 3.96Å; I132-V223 HydrophobicContact CD1-CG1 4.48Å
133	E	96.9	Very high	95	Very high	54 Å²	54	62.9 Å²	62.9	25%	0.252	32%	0.319	S	S	.	.	H	α-helix	trans	-58.9	-47.3	175.5	-69.6	179.3	163.3	0	0	110.5	L129 T135 A136 E137 C145 R146	L129-E133 WeakPolarHBondContact O-CB 3.36Å; L129-E133 WeakPolarHBondContact O-CG 3.21Å; L129-E133 PolarHBondContact O-N 3.44Å; E133-T135 PolarHBondContact O-N 3.14Å; E133-A136 PolarHBondContact O-N 2.89Å; E133-E137 WeakPolarHBondContact O-CB 3.19Å; E133-E137 PolarHBondContact O-N 3.25Å; E133-C145 HydrophobicContact CG-CB 4.02Å; E133-C145 VanDerWaalsContact OE1-CB 3.29Å; E133-C145 WeakPolarHBondContact OE1-CB 3.39Å; E133-R146 VanDerWaalsContact CD-NH1 3.35Å; E133-R146 IonicContact OE1-CZ 3.04Å; E133-R146 IonicContact OE1-NE 3.96Å; E133-R146 IonicContact OE1-NH1 3.98Å; E133-R146 PolarHBondContact OE1-NH1 3.36Å; E133-R146 IonicContact OE1-NH2 3.87Å; E133-R146 PolarHBondContact OE1-NH2 3.1Å; E133-R146 VanDerWaalsContact OE1-NH2 3.12Å; E133-R146 IonicContact OE2-CZ 3.65Å; E133-R146 IonicContact OE2-NH1 2.67Å; E133-R146 PolarHBondContact OE2-NH1 3.5Å; E133-R146 IonicContact OE2-NH2 3.8Å; E133-R146 PolarHBondContact OE2-NH2 3.42Å
134	K	97.4	Very high	95.1	Very high	133 Å²	133	65.4 Å²	65.4	58%	0.578	33%	0.331	S	S	*	.	H	α-helix	trans	-65.1	-37	176.6	-171.8	172.7	-174.5	174.7	0	112.9	P130 I132 N138	P130-K134 WeakPolarHBondContact O-CB 3.45Å; P130-K134 PolarHBondContact O-N 2.68Å; P130-K134 VanDerWaalsContact O-N 3.09Å; I132-K134 VanDerWaalsContact C-N 3.34Å; I132-K134 PolarHBondContact O-N 2.93Å; K134-N138 WeakPolarHBondContact O-CB 3.2Å; K134-N138 PolarHBondContact O-N 2.91Å; K134-N138 PolarHBondContact O-ND2 3.29Å; K134-N138 VanDerWaalsContact O-ND2 3.17Å; K134-N138 PolarHBondContact O-OD1 3.45Å
135	T	97.1	Very high	95.1	Very high	19 Å²	19	64.1 Å²	64.1	12%	0.117	33%	0.325	C	S	.	.	H	α-helix	trans	-65	-46.7	177.7	-60.1	0	0	0	0	110.5	L131 I132 E133 N138 I139 C227 A231	L131-T135 VanDerWaalsContact O-CB 3.32Å; L131-T135 WeakPolarHBondContact O-CB 3.45Å; L131-T135 PolarHBondContact O-N 3.12Å; L131-T135 PolarHBondContact O-OG1 3.47Å; I132-T135 PolarHBondContact O-N 3.3Å; E133-T135 PolarHBondContact O-N 3.14Å; T135-N138 PolarHBondContact O-N 3.4Å; T135-I139 HydrophobicContact CG2-CD1 3.76Å; T135-I139 WeakPolarHBondContact O-CD1 3.31Å; T135-I139 VanDerWaalsContact O-CG1 3.23Å; T135-I139 WeakPolarHBondContact O-CG1 3.23Å; T135-I139 PolarHBondContact O-N 2.8Å; T135-C227 HydrophobicContact CG2-CB 4.08Å; T135-A231 HydrophobicContact CG2-CB 4.09Å
136	A	96.8	Very high	95.1	Very high	1 Å²	1	68.4 Å²	68.4	1%	0.008	34%	0.338	C	S	.	.	H	α-helix	trans	-62.2	-44.8	177.5	0	0	0	0	0	111.6	F121 I132 E133 N138 I139 G140 E141	F121-A136 HydrophobicContact CD2-CB 4.05Å; I132-A136 WeakPolarHBondContact O-CB 3.3Å; I132-A136 PolarHBondContact O-N 3.18Å; E133-A136 PolarHBondContact O-N 2.89Å; A136-N138 PolarHBondContact O-N 2.97Å; A136-I139 PolarHBondContact O-N 3.44Å; A136-G140 PolarHBondContact O-N 3.11Å; A136-E141 CarbonylContact C-O 3.53Å; A136-E141 PolarHBondContact O-N 2.92Å
137	E	97	Very high	95.1	Very high	151 Å²	151	68.8 Å²	68.8	71%	0.706	34%	0.34	S	S	*	.	H	α-helix	trans	-57.4	-46.8	176	-174.7	179.4	-171.3	0	0	112	E133 I139 G140	E133-E137 WeakPolarHBondContact O-CB 3.19Å; E133-E137 PolarHBondContact O-N 3.25Å; E137-I139 VanDerWaalsContact C-N 3.3Å; E137-I139 PolarHBondContact O-N 3.16Å; E137-G140 PolarHBondContact O-N 3.02Å; E137-G140 VanDerWaalsContact O-N 3.11Å
138	N	97.4	Very high	95.1	Very high	119 Å²	119	62.9 Å²	62.9	64%	0.636	31%	0.311	S	S	*	.	H	α-helix	trans	-62.9	-34	-179.6	-70.3	-21.2	0	0	0	113.5	K134 T135 A136 G140	K134-N138 WeakPolarHBondContact O-CB 3.2Å; K134-N138 PolarHBondContact O-N 2.91Å; K134-N138 PolarHBondContact O-ND2 3.29Å; K134-N138 VanDerWaalsContact O-ND2 3.17Å; K134-N138 PolarHBondContact O-OD1 3.45Å; T135-N138 PolarHBondContact O-N 3.4Å; A136-N138 PolarHBondContact O-N 2.97Å; N138-G140 VanDerWaalsContact C-N 3.34Å
139	I	96	Very high	94.9	Very high	18 Å²	18	68.9 Å²	68.9	9%	0.092	34%	0.339	C	S	.	.	H	α-helix	trans	-84	-16.9	179.4	-52.9	152.4	0	0	0	110.9	F121 T135 A136 E137 E141 A231 I234 K238	F121-I139 HydrophobicContact CE2-CD1 4.47Å; F121-I139 HydrophobicContact CZ-CD1 4.21Å; T135-I139 HydrophobicContact CG2-CD1 3.76Å; T135-I139 WeakPolarHBondContact O-CD1 3.31Å; T135-I139 VanDerWaalsContact O-CG1 3.23Å; T135-I139 WeakPolarHBondContact O-CG1 3.23Å; T135-I139 PolarHBondContact O-N 2.8Å; A136-I139 PolarHBondContact O-N 3.44Å; E137-I139 VanDerWaalsContact C-N 3.3Å; E137-I139 PolarHBondContact O-N 3.16Å; I139-E141 HydrophobicContact CB-CG 4.4Å; I139-E141 HydrophobicContact CG2-CG 4.02Å; I139-A231 VanDerWaalsContact CD1-CA 3.44Å; I139-A231 HydrophobicContact CD1-CB 3.53Å; I139-A231 HydrophobicContact CG1-CB 3.83Å; I139-I234 HydrophobicContact CG2-CB 3.93Å; I139-I234 HydrophobicContact CG2-CG2 3.35Å; I139-K238 PolarHBondContact O-NZ 2.91Å
140	G	95.8	Very high	94.7	Very high	52 Å²	52	70.9 Å²	70.9	54%	0.536	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	42.9	-170.2	0	0	0	0	0	112.3	A136 E137 N138 K238	A136-G140 PolarHBondContact O-N 3.11Å; E137-G140 PolarHBondContact O-N 3.02Å; E137-G140 VanDerWaalsContact O-N 3.11Å; N138-G140 VanDerWaalsContact C-N 3.34Å; G140-K238 PolarHBondContact O-NZ 2.85Å; G140-K238 VanDerWaalsContact O-NZ 3.16Å
141	E	96.6	Very high	94.3	Very high	20 Å²	20	67.4 Å²	67.4	9%	0.093	35%	0.345	C	S	.	.			trans	-119.1	173.9	172.1	-66.4	-59	155	0	0	110.4	I119 F121 A136 I139 I234 K238	I119-E141 HydrophobicContact CB-CG 4.19Å; I119-E141 WeakPolarHBondContact CB-OE2 3.43Å; I119-E141 PolarHBondContact N-OE2 3.39Å; I119-E141 VanDerWaalsContact N-OE2 3.08Å; F121-E141 HydrophobicContact CD2-CB 4.31Å; F121-E141 HydrophobicContact CE2-CB 3.98Å; F121-E141 HydrophobicContact CE2-CG 4.4Å; A136-E141 CarbonylContact C-O 3.53Å; A136-E141 PolarHBondContact O-N 2.92Å; I139-E141 HydrophobicContact CB-CG 4.4Å; I139-E141 HydrophobicContact CG2-CG 4.02Å; E141-I234 HydrophobicContact CG-CG2 4.18Å; E141-K238 WeakPolarHBondContact OE1-CE 3.27Å; E141-K238 IonicContact OE1-NZ 3.04Å; E141-K238 PolarHBondContact OE1-NZ 2.9Å
142	Y	97.4	Very high	94.1	Very high	147 Å²	147	66 Å²	66	58%	0.576	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	151	-177	-55.7	-85.6	0	0	0	111.5	I118 I119 L120 F121	I118-Y142 HydrophobicContact CG1-CE2 4.46Å; I118-Y142 HydrophobicContact CG2-CD2 3.63Å; I118-Y142 HydrophobicContact CG2-CE2 3.81Å; I119-Y142 PolarHBondContact O-N 3.33Å; L120-Y142 WeakPolarHBondContact CA-O 3.42Å; F121-Y142 PolarHBondContact N-O 2.96Å
143	S	96.5	Very high	94	Very high	39 Å²	39	66.2 Å²	66.2	27%	0.273	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	140.1	171.2	62.2	0	0	0	0	111.1	F121	F121-S143 CarbonylContact O-C 3.5Å; F121-S143 VanDerWaalsContact O-CA 3.28Å; F121-S143 WeakPolarHBondContact O-CA 3.25Å
144	H	94.8	Very high	93.8	Very high	54 Å²	54	66.9 Å²	66.9	25%	0.25	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	103.9	166.7	-180	99.8	0	0	0	109.6	L120 F121 M122 R146 W148	L120-H144 HydrophobicContact CD1-CB 4.05Å; F121-H144 PolarHBondContact O-N 3.23Å; M122-H144 HydrophobicContact SD-CB 3.59Å; M122-H144 VanDerWaalsContact SD-CB 3.59Å; H144-R146 PolarHBondContact NE2-O 3.33Å; H144-W148 AromaticContact CD2-CE3 3.53Å; H144-W148 AromaticContact CD2-CZ3 3.96Å; H144-W148 AromaticContact NE2-CE3 3.5Å
145	C	91.8	Very high	93.7	Very high	4 Å²	4	63.7 Å²	63.7	3%	0.027	34%	0.337	C	S	.	.			trans	-109.8	-8.8	-171.1	-87.9	0	0	0	0	113	H123 L129 E133	H123-C145 CarbonylContact O-C 3.57Å; H123-C145 VanDerWaalsContact O-CA 3.26Å; H123-C145 WeakPolarHBondContact O-CA 3.44Å; L129-C145 HydrophobicContact CB-CB 4.28Å; L129-C145 HydrophobicContact CD2-CB 3.69Å; L129-C145 VanDerWaalsContact CD2-O 3.31Å; L129-C145 WeakPolarHBondContact CD2-O 3.43Å; L129-C145 HydrophobicContact CG-CB 4.35Å; E133-C145 HydrophobicContact CG-CB 4.02Å; E133-C145 VanDerWaalsContact OE1-CB 3.29Å; E133-C145 WeakPolarHBondContact OE1-CB 3.39Å
146	R	91	Very high	93.5	Very high	136 Å²	136	63.9 Å²	63.9	51%	0.513	34%	0.339	S	S	.	.	S	Bend	trans	-88.4	-178.8	-175.1	-58.7	-61.2	-177.4	-106.3	-2.4	110.3	E133 H144 W148	E133-R146 VanDerWaalsContact CD-NH1 3.35Å; E133-R146 IonicContact OE1-CZ 3.04Å; E133-R146 IonicContact OE1-NE 3.96Å; E133-R146 IonicContact OE1-NH1 3.98Å; E133-R146 PolarHBondContact OE1-NH1 3.36Å; E133-R146 IonicContact OE1-NH2 3.87Å; E133-R146 PolarHBondContact OE1-NH2 3.1Å; E133-R146 VanDerWaalsContact OE1-NH2 3.12Å; E133-R146 IonicContact OE2-CZ 3.65Å; E133-R146 IonicContact OE2-NH1 2.67Å; E133-R146 PolarHBondContact OE2-NH1 3.5Å; E133-R146 IonicContact OE2-NH2 3.8Å; E133-R146 PolarHBondContact OE2-NH2 3.42Å; H144-R146 PolarHBondContact NE2-O 3.33Å; R146-W148 PolarHBondContact O-N 3.08Å
147	K	89.5	Confident	93.2	Very high	179 Å²	179	67 Å²	67	78%	0.778	36%	0.36	S	S	*	.			trans	-58.6	123.1	176.9	-177.6	-178.5	176.5	-171.9	0	109	E149	K147-E149 PolarHBondContact O-N 3.2Å
148	W	91.3	Very high	93	Very high	17 Å²	17	64.3 Å²	64.3	6%	0.064	35%	0.351	C	S	.	.			trans	-71.6	115.6	177	-175.4	-100.8	0	0	0	110.8	M122 H144 R146 V152 F153 H183 A185	M122-W148 HydrophobicContact CE-CD2 4.15Å; M122-W148 HydrophobicContact CE-CE3 3.44Å; M122-W148 VanDerWaalsContact CE-CE3 3.44Å; M122-W148 HydrophobicContact CE-CZ3 3.7Å; M122-W148 HydrophobicContact SD-CE3 4.46Å; M122-W148 HydrophobicContact SD-CZ3 4.21Å; H144-W148 AromaticContact CD2-CE3 3.53Å; H144-W148 AromaticContact CD2-CZ3 3.96Å; H144-W148 AromaticContact NE2-CE3 3.5Å; R146-W148 PolarHBondContact O-N 3.08Å; W148-V152 HydrophobicContact CH2-CB 3.64Å; W148-V152 HydrophobicContact CH2-CG1 3.7Å; W148-V152 HydrophobicContact CH2-CG2 4.35Å; W148-V152 HydrophobicContact CZ2-CB 3.81Å; W148-V152 HydrophobicContact CZ2-CG1 4.36Å; W148-V152 HydrophobicContact CZ3-CB 4.28Å; W148-V152 HydrophobicContact CZ3-CG1 4.19Å; W148-F153 AromaticContact CH2-CD1 3.96Å; W148-F153 HydrophobicContact CH2-CD1 3.96Å; W148-F153 AromaticContact CH2-CD2 3.82Å; W148-F153 HydrophobicContact CH2-CD2 3.82Å; W148-F153 AromaticContact CH2-CE1 3.59Å; W148-F153 HydrophobicContact CH2-CE1 3.59Å; W148-F153 AromaticContact CH2-CE2 3.42Å; W148-F153 HydrophobicContact CH2-CE2 3.42Å; W148-F153 VanDerWaalsContact CH2-CE2 3.42Å; W148-F153 HydrophobicContact CH2-CG 4.07Å; W148-F153 AromaticContact CH2-CZ 3.3Å; W148-F153 HydrophobicContact CH2-CZ 3.3Å; W148-F153 HydrophobicContact CZ2-CD1 4.42Å; W148-F153 AromaticContact CZ2-CD2 3.65Å; W148-F153 HydrophobicContact CZ2-CD2 3.65Å; W148-F153 HydrophobicContact CZ2-CE1 4.39Å; W148-F153 AromaticContact CZ2-CE2 3.6Å; W148-F153 HydrophobicContact CZ2-CE2 3.6Å; W148-F153 HydrophobicContact CZ2-CG 4.07Å; W148-F153 AromaticContact CZ2-CZ 3.99Å; W148-F153 HydrophobicContact CZ2-CZ 3.99Å; W148-F153 HydrophobicContact CZ3-CE1 4.49Å; W148-F153 HydrophobicContact CZ3-CE2 4.45Å; W148-F153 HydrophobicContact CZ3-CZ 4.11Å; W148-H183 AromaticContact CD2-CE1 3.91Å; W148-H183 AromaticContact CG-CE1 3.54Å; W148-A185 HydrophobicContact CD2-CB 3.89Å; W148-A185 HydrophobicContact CE3-CB 4.36Å; W148-A185 HydrophobicContact CG-CB 4.38Å; W148-A185 HydrophobicContact CH2-CB 4.26Å; W148-A185 HydrophobicContact CZ2-CB 3.76Å
149	E	87.8	Confident	92.7	Very high	140 Å²	140	61.8 Å²	61.8	65%	0.654	34%	0.339	S	S	*	.			trans	-83.9	128.6	169	-59.9	-165.8	164	0	0	108.7	K147 V152	K147-E149 PolarHBondContact O-N 3.2Å; E149-V152 VanDerWaalsContact O-CG2 3.31Å; E149-V152 WeakPolarHBondContact O-CG2 3.5Å
150	G	88.4	Confident	92.6	Very high	63 Å²	63	65.6 Å²	65.6	65%	0.649	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	144.5	178.2	0	0	0	0	0	110.5
151	G	88	Confident	92.4	Very high	15 Å²	15	71.3 Å²	71.3	16%	0.155	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	99.1	-8.6	177.1	0	0	0	0	0	115.4	F153 T154 N155	G151-F153 VanDerWaalsContact C-N 3.3Å; G151-F153 PolarHBondContact O-N 3.4Å; G151-T154 WeakPolarHBondContact CA-OG1 3.36Å; G151-T154 PolarHBondContact O-N 3.11Å; G151-N155 CarbonylContact O-C 3.58Å; G151-N155 VanDerWaalsContact O-CA 3.31Å; G151-N155 WeakPolarHBondContact O-CA 3.39Å; G151-N155 PolarHBondContact O-N 3.5Å
152	V	93	Very high	92.1	Very high	24 Å²	24	75.4 Å²	75.4	15%	0.145	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-41.2	180	172.5	0	0	0	0	112.6	W148 E149 S156 F160	W148-V152 HydrophobicContact CH2-CB 3.64Å; W148-V152 HydrophobicContact CH2-CG1 3.7Å; W148-V152 HydrophobicContact CH2-CG2 4.35Å; W148-V152 HydrophobicContact CZ2-CB 3.81Å; W148-V152 HydrophobicContact CZ2-CG1 4.36Å; W148-V152 HydrophobicContact CZ3-CB 4.28Å; W148-V152 HydrophobicContact CZ3-CG1 4.19Å; E149-V152 VanDerWaalsContact O-CG2 3.31Å; E149-V152 WeakPolarHBondContact O-CG2 3.5Å; V152-S156 WeakPolarHBondContact O-CA 3.34Å; V152-S156 WeakPolarHBondContact O-CB 3.18Å; V152-F160 HydrophobicContact CG1-CE2 4.13Å; V152-F160 HydrophobicContact CG1-CZ 3.96Å
153	F	93.3	Very high	91.8	Very high	5 Å²	5	73.9 Å²	73.9	2%	0.022	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-37.5	177.1	-60.8	-34	0	0	0	113.5	L120 W148 G151 L166 P167 I170 A185 D188 M192	L120-F153 HydrophobicContact CD2-CE1 4.12Å; L120-F153 HydrophobicContact CD2-CZ 3.83Å; W148-F153 AromaticContact CH2-CD1 3.96Å; W148-F153 HydrophobicContact CH2-CD1 3.96Å; W148-F153 AromaticContact CH2-CD2 3.82Å; W148-F153 HydrophobicContact CH2-CD2 3.82Å; W148-F153 AromaticContact CH2-CE1 3.59Å; W148-F153 HydrophobicContact CH2-CE1 3.59Å; W148-F153 AromaticContact CH2-CE2 3.42Å; W148-F153 HydrophobicContact CH2-CE2 3.42Å; W148-F153 VanDerWaalsContact CH2-CE2 3.42Å; W148-F153 HydrophobicContact CH2-CG 4.07Å; W148-F153 AromaticContact CH2-CZ 3.3Å; W148-F153 HydrophobicContact CH2-CZ 3.3Å; W148-F153 HydrophobicContact CZ2-CD1 4.42Å; W148-F153 AromaticContact CZ2-CD2 3.65Å; W148-F153 HydrophobicContact CZ2-CD2 3.65Å; W148-F153 HydrophobicContact CZ2-CE1 4.39Å; W148-F153 AromaticContact CZ2-CE2 3.6Å; W148-F153 HydrophobicContact CZ2-CE2 3.6Å; W148-F153 HydrophobicContact CZ2-CG 4.07Å; W148-F153 AromaticContact CZ2-CZ 3.99Å; W148-F153 HydrophobicContact CZ2-CZ 3.99Å; W148-F153 HydrophobicContact CZ3-CE1 4.49Å; W148-F153 HydrophobicContact CZ3-CE2 4.45Å; W148-F153 HydrophobicContact CZ3-CZ 4.11Å; G151-F153 VanDerWaalsContact C-N 3.3Å; G151-F153 PolarHBondContact O-N 3.4Å; F153-L166 HydrophobicContact CD1-CD2 4.25Å; F153-P167 HydrophobicContact CE1-CG 3.87Å; F153-P167 HydrophobicContact CZ-CG 4.24Å; F153-I170 HydrophobicContact CD2-CD1 4.31Å; F153-I170 HydrophobicContact CE1-CD1 4.39Å; F153-I170 HydrophobicContact CE2-CD1 3.4Å; F153-I170 VanDerWaalsContact CE2-CD1 3.4Å; F153-I170 HydrophobicContact CZ-CD1 3.45Å; F153-I170 VanDerWaalsContact CZ-CD1 3.45Å; F153-I170 HydrophobicContact CZ-CG1 4.26Å; F153-A185 HydrophobicContact CE2-CB 4.11Å; F153-D188 HydrophobicContact CB-CB 4.42Å; F153-D188 HydrophobicContact CD2-CB 4.02Å; F153-M192 HydrophobicContact CB-CG 3.96Å
154	T	93.7	Very high	91.7	Very high	69 Å²	69	74.7 Å²	74.7	42%	0.423	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-24.2	-172.7	57.5	0	0	0	0	113.5	G151 D188 K191 M192	G151-T154 WeakPolarHBondContact CA-OG1 3.36Å; G151-T154 PolarHBondContact O-N 3.11Å; T154-D188 HydrophobicContact CG2-CB 4.31Å; T154-K191 HydrophobicContact CG2-CD 4.31Å; T154-M192 HydrophobicContact CG2-CG 4.47Å; T154-M192 HydrophobicContact CG2-SD 4.39Å
155	N	94	Very high	91.7	Very high	66 Å²	66	79.6 Å²	79.6	35%	0.353	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	42.9	179.3	-162.2	24.3	0	0	0	111.2	G151 S157 D158 V159	G151-N155 CarbonylContact O-C 3.58Å; G151-N155 VanDerWaalsContact O-CA 3.31Å; G151-N155 WeakPolarHBondContact O-CA 3.39Å; G151-N155 PolarHBondContact O-N 3.5Å; N155-S157 VanDerWaalsContact C-N 3.27Å; N155-S157 PolarHBondContact O-N 3.06Å; N155-D158 WeakPolarHBondContact ND2-CB 3.36Å; N155-D158 PolarHBondContact ND2-OD2 3.32Å; N155-D158 PolarHBondContact O-N 3.28Å; N155-D158 VanDerWaalsContact OD1-CG 3.29Å; N155-D158 PolarHBondContact OD1-OD2 3.45Å; N155-D158 VanDerWaalsContact OD1-OD2 3.11Å; N155-V159 WeakPolarHBondContact O-CG2 3.48Å; N155-V159 PolarHBondContact O-N 2.99Å
156	S	92.6	Very high	91.8	Very high	23 Å²	23	81.3 Å²	81.3	16%	0.161	43%	0.43	C	S	.	.	H	α-helix	trans	-60.9	-34.7	-173.3	60.8	0	0	0	0	113	V152 D158 V159 F160	V152-S156 WeakPolarHBondContact O-CA 3.34Å; V152-S156 WeakPolarHBondContact O-CB 3.18Å; S156-D158 VanDerWaalsContact C-N 3.29Å; S156-D158 PolarHBondContact O-N 3.39Å; S156-V159 PolarHBondContact O-N 3.06Å; S156-F160 WeakPolarHBondContact O-CB 3.31Å; S156-F160 WeakPolarHBondContact O-CD2 3.32Å; S156-F160 PolarHBondContact O-N 3.11Å
157	S	91.4	Very high	92.1	Very high	65 Å²	65	75.6 Å²	75.6	46%	0.455	41%	0.41	S	S	.	.	H	α-helix	trans	-58.6	-40.7	178.8	52	0	0	0	0	112.6	N155 H161	N155-S157 VanDerWaalsContact C-N 3.27Å; N155-S157 PolarHBondContact O-N 3.06Å; S157-H161 WeakPolarHBondContact O-CA 3.42Å; S157-H161 PolarHBondContact O-N 3.04Å
158	D	93.2	Very high	92.5	Very high	95 Å²	95	69.5 Å²	69.5	51%	0.508	39%	0.386	S	S	.	.	H	α-helix	trans	-82.8	-35	-177	-63.5	-2.4	0	0	0	111.1	N155 S156 H161	N155-D158 WeakPolarHBondContact ND2-CB 3.36Å; N155-D158 PolarHBondContact ND2-OD2 3.32Å; N155-D158 PolarHBondContact O-N 3.28Å; N155-D158 VanDerWaalsContact OD1-CG 3.29Å; N155-D158 PolarHBondContact OD1-OD2 3.45Å; N155-D158 VanDerWaalsContact OD1-OD2 3.11Å; S156-D158 VanDerWaalsContact C-N 3.29Å; S156-D158 PolarHBondContact O-N 3.39Å; D158-H161 PolarHBondContact O-CE1 3.3Å; D158-H161 PolarHBondContact O-ND1 3.12Å
159	V	91.6	Very high	92.8	Very high	66 Å²	66	68.7 Å²	68.7	40%	0.4	38%	0.383	S	S	.	.	H	α-helix	trans	-68.7	-42	179.4	172.8	0	0	0	0	111.3	N155 S156	N155-V159 WeakPolarHBondContact O-CG2 3.48Å; N155-V159 PolarHBondContact O-N 2.99Å; S156-V159 PolarHBondContact O-N 3.06Å
160	F	92.2	Very high	93.3	Very high	99 Å²	99	62 Å²	62	43%	0.434	35%	0.352	S	S	.	.	H	α-helix	trans	-96.9	-7.2	-177.5	-62.4	-69.6	0	0	0	113.5	V152 S156 D162 V164	V152-F160 HydrophobicContact CG1-CE2 4.13Å; V152-F160 HydrophobicContact CG1-CZ 3.96Å; S156-F160 WeakPolarHBondContact O-CB 3.31Å; S156-F160 WeakPolarHBondContact O-CD2 3.32Å; S156-F160 PolarHBondContact O-N 3.11Å; F160-D162 PolarHBondContact O-N 3.14Å; F160-D162 VanDerWaalsContact O-N 3.09Å; F160-V164 HydrophobicContact CB-CG1 3.56Å; F160-V164 HydrophobicContact CB-CG2 4.44Å; F160-V164 HydrophobicContact CD2-CB 4.32Å; F160-V164 HydrophobicContact CD2-CG1 3.99Å; F160-V164 HydrophobicContact CD2-CG2 3.51Å; F160-V164 HydrophobicContact CE2-CG2 4.08Å; F160-V164 HydrophobicContact CG-CG1 3.79Å; F160-V164 HydrophobicContact CG-CG2 4.2Å
161	H	91.6	Very high	93.8	Very high	171 Å²	171	59 Å²	59	79%	0.792	32%	0.321	S	S	*	.	S	Bend	trans	56	17.8	-174.8	-56.2	-62	0	0	0	114.7	S157 D158	S157-H161 WeakPolarHBondContact O-CA 3.42Å; S157-H161 PolarHBondContact O-N 3.04Å; D158-H161 PolarHBondContact O-CE1 3.3Å; D158-H161 PolarHBondContact O-ND1 3.12Å
162	D	92	Very high	94.2	Very high	107 Å²	107	58.3 Å²	58.3	57%	0.572	31%	0.314	S	S	*	.	S	Bend	trans	-153.8	163.9	-178.9	-157.2	-8.1	0	0	0	111	F160 V164	F160-D162 PolarHBondContact O-N 3.14Å; F160-D162 VanDerWaalsContact O-N 3.09Å; D162-V164 PolarHBondContact O-N 3.34Å; D162-V164 VanDerWaalsContact O-N 3.14Å
163	S	89.7	Confident	94.3	Very high	114 Å²	114	57.2 Å²	57.2	80%	0.797	31%	0.307	S	S	*	.			trans	-71	100.3	170.3	60.6	0	0	0	0	110.6
164	V	94.3	Very high	94.4	Very high	57 Å²	57	57.6 Å²	57.6	35%	0.345	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-99.6	146.2	179.5	-63.8	0	0	0	0	112.5	F160 D162 L166	F160-V164 HydrophobicContact CB-CG1 3.56Å; F160-V164 HydrophobicContact CB-CG2 4.44Å; F160-V164 HydrophobicContact CD2-CB 4.32Å; F160-V164 HydrophobicContact CD2-CG1 3.99Å; F160-V164 HydrophobicContact CD2-CG2 3.51Å; F160-V164 HydrophobicContact CE2-CG2 4.08Å; F160-V164 HydrophobicContact CG-CG1 3.79Å; F160-V164 HydrophobicContact CG-CG2 4.2Å; D162-V164 PolarHBondContact O-N 3.34Å; D162-V164 VanDerWaalsContact O-N 3.14Å; V164-L166 HydrophobicContact CG2-CD2 4.46Å
165	R	94.8	Very high	94.4	Very high	157 Å²	157	54.5 Å²	54.5	59%	0.592	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-80.3	121.3	167.1	-175.7	178.2	168.4	-163.2	-1.7	109.1	Q116 I118 D168	Q116-R165 PolarHBondContact O-NH2 2.78Å; I118-R165 HydrophobicContact CD1-CB 4.29Å; I118-R165 HydrophobicContact CD1-CG 3.87Å; R165-D168 IonicContact CZ-OD2 3.5Å; R165-D168 IonicContact NE-OD2 3Å; R165-D168 IonicContact NH2-OD2 2.71Å; R165-D168 PolarHBondContact NH2-OD2 2.91Å
166	L	95.2	Very high	94.4	Very high	40 Å²	40	51.9 Å²	51.9	21%	0.209	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-75.8	159.2	176.1	-68.3	-178.8	0	0	0	111.7	F153 V164 M192 I194	F153-L166 HydrophobicContact CD1-CD2 4.25Å; V164-L166 HydrophobicContact CG2-CD2 4.46Å; L166-M192 HydrophobicContact CD1-CE 3.74Å; L166-I194 HydrophobicContact CB-CD1 4.37Å
167	P	97.2	Very high	94.3	Very high	15 Å²	15	52.9 Å²	52.9	10%	0.097	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-63.3	140.4	175.4	26.2	-34.6	0	0	0	111.6	I118 L120 F153 I170 I194	I118-P167 HydrophobicContact CG2-CB 4Å; L120-P167 HydrophobicContact CB-CB 3.86Å; L120-P167 HydrophobicContact CB-CG 4.24Å; L120-P167 HydrophobicContact CD2-CG 4.14Å; F153-P167 HydrophobicContact CE1-CG 3.87Å; F153-P167 HydrophobicContact CZ-CG 4.24Å; P167-I170 HydrophobicContact CB-CG1 4.25Å; P167-I170 HydrophobicContact CG-CD1 4.19Å; P167-I170 HydrophobicContact CG-CG1 3.91Å; P167-I194 HydrophobicContact CG-CD1 4.41Å; P167-I194 WeakPolarHBondContact O-CG2 3.42Å
168	D	97.6	Very high	94	Very high	51 Å²	51	54 Å²	54	27%	0.273	29%	0.289	S	S	.	.	S	Bend	trans	-85	-21.9	177.1	-60.1	-54.8	0	0	0	111.5	I112 G117 I118 R165 P195	I112-D168 HydrophobicContact CG2-CB 4.39Å; G117-D168 WeakPolarHBondContact CA-OD2 3.22Å; I118-D168 PolarHBondContact N-OD2 2.89Å; I118-D168 PolarHBondContact O-N 3.49Å; R165-D168 IonicContact CZ-OD2 3.5Å; R165-D168 IonicContact NE-OD2 3Å; R165-D168 IonicContact NH2-OD2 2.71Å; R165-D168 PolarHBondContact NH2-OD2 2.91Å; D168-P195 WeakPolarHBondContact O-CD 3.4Å; D168-P195 WeakPolarHBondContact O-CG 3.4Å
169	L	98.3	Very high	93.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	135.7	174.7	168.5	63.7	0	0	0	109.9	F108 A109 I112 I118 I119 L120 I197	F108-L169 HydrophobicContact CD1-CD1 4.18Å; F108-L169 HydrophobicContact CD1-CD2 4.5Å; F108-L169 HydrophobicContact CE1-CD1 4.02Å; A109-L169 HydrophobicContact CB-CD2 3.99Å; I112-L169 HydrophobicContact CB-CD2 4.31Å; I112-L169 HydrophobicContact CG1-CB 4.3Å; I112-L169 HydrophobicContact CG1-CD2 4.25Å; I112-L169 HydrophobicContact CG2-CB 3.99Å; I112-L169 HydrophobicContact CG2-CD2 4.48Å; I118-L169 PolarHBondContact O-N 3.32Å; I118-L169 VanDerWaalsContact O-N 3.12Å; I119-L169 WeakPolarHBondContact CA-O 3.48Å; I119-L169 HydrophobicContact CD1-CD2 4.2Å; I119-L169 HydrophobicContact CG1-CB 4.34Å; I119-L169 HydrophobicContact CG1-CD2 4.16Å; I119-L169 HydrophobicContact CG2-CD2 4.15Å; I119-L169 HydrophobicContact CG2-CG 4.3Å; L120-L169 PolarHBondContact N-O 2.83Å; L169-I197 HydrophobicContact CD1-CB 4.45Å; L169-I197 HydrophobicContact CD1-CD1 3.82Å; L169-I197 HydrophobicContact CD1-CG1 3.86Å; L169-I197 HydrophobicContact CD2-CD1 3.92Å; L169-I197 HydrophobicContact CG-CD1 4.46Å
170	I	97.9	Very high	93.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	131.1	171.1	-59.3	161.2	0	0	0	109.3	L120 M122 F153 P167 F172 A189 I194 P195 T196 I197	L120-I170 HydrophobicContact CB-CG1 4.39Å; L120-I170 WeakPolarHBondContact O-CA 3.43Å; M122-I170 HydrophobicContact CB-CG2 4.32Å; M122-I170 HydrophobicContact CG-CG2 3.46Å; M122-I170 VanDerWaalsContact CG-CG2 3.46Å; F153-I170 HydrophobicContact CD2-CD1 4.31Å; F153-I170 HydrophobicContact CE1-CD1 4.39Å; F153-I170 HydrophobicContact CE2-CD1 3.4Å; F153-I170 VanDerWaalsContact CE2-CD1 3.4Å; F153-I170 HydrophobicContact CZ-CD1 3.45Å; F153-I170 VanDerWaalsContact CZ-CD1 3.45Å; F153-I170 HydrophobicContact CZ-CG1 4.26Å; P167-I170 HydrophobicContact CB-CG1 4.25Å; P167-I170 HydrophobicContact CG-CD1 4.19Å; P167-I170 HydrophobicContact CG-CG1 3.91Å; I170-F172 HydrophobicContact CB-CE2 4.12Å; I170-F172 HydrophobicContact CG2-CD2 3.9Å; I170-F172 HydrophobicContact CG2-CE1 4.26Å; I170-F172 HydrophobicContact CG2-CE2 3.35Å; I170-F172 HydrophobicContact CG2-CZ 3.56Å; I170-A189 HydrophobicContact CD1-CB 3.62Å; I170-I194 HydrophobicContact CD1-CB 4.26Å; I170-I194 HydrophobicContact CD1-CD1 4.31Å; I170-I194 HydrophobicContact CD1-CG2 3.66Å; I170-I194 HydrophobicContact CG1-CG2 3.83Å; I170-P195 PolarHBondContact N-O 3.17Å; I170-T196 HydrophobicContact CB-CG2 4.36Å; I170-T196 WeakPolarHBondContact O-CA 3.49Å; I170-I197 PolarHBondContact O-N 2.67Å
171	L	98	Very high	93.6	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	107.9	-178.9	-168.9	165.9	0	0	0	109.5	L120 F121 M122 L173 I197 F230	L120-L171 PolarHBondContact O-N 3.37Å; F121-L171 HydrophobicContact CD1-CB 4.45Å; F121-L171 HydrophobicContact CD1-CD1 4.05Å; F121-L171 HydrophobicContact CD1-CD2 3.92Å; F121-L171 HydrophobicContact CD1-CG 4.38Å; F121-L171 HydrophobicContact CE1-CD1 3.55Å; F121-L171 HydrophobicContact CE1-CD2 4.11Å; F121-L171 HydrophobicContact CE1-CG 4.34Å; F121-L171 HydrophobicContact CZ-CD1 3.99Å; M122-L171 PolarHBondContact N-O 2.89Å; L171-L173 HydrophobicContact CD2-CD2 3.68Å; L171-L173 HydrophobicContact CD2-CG 3.67Å; L171-I197 CarbonylContact C-O 3.53Å; L171-I197 WeakPolarHBondContact CA-O 3.16Å; L171-F230 HydrophobicContact CD1-CB 4Å; L171-F230 HydrophobicContact CD1-CD1 3.41Å; L171-F230 VanDerWaalsContact CD1-CD1 3.41Å; L171-F230 HydrophobicContact CD1-CD2 3.74Å; L171-F230 HydrophobicContact CD1-CE1 3.7Å; L171-F230 HydrophobicContact CD1-CE2 4.01Å; L171-F230 HydrophobicContact CD1-CG 3.46Å; L171-F230 VanDerWaalsContact CD1-CG 3.46Å; L171-F230 HydrophobicContact CD1-CZ 4Å; L171-F230 HydrophobicContact CD2-CD2 4.11Å; L171-F230 HydrophobicContact CD2-CE2 4.02Å; L171-F230 HydrophobicContact CD2-CZ 4.47Å; L171-F230 HydrophobicContact CG-CD1 4.45Å; L171-F230 HydrophobicContact CG-CD2 4.36Å; L171-F230 HydrophobicContact CG-CE1 4.32Å; L171-F230 HydrophobicContact CG-CE2 4.23Å; L171-F230 HydrophobicContact CG-CG 4.49Å; L171-F230 HydrophobicContact CG-CZ 4.22Å
172	F	97.2	Very high	93.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	107.6	175.1	-67.6	-82.6	0	0	0	110.1	M122 I170 S174 T175 H183 A185 V186 T196 I197 G198 V199	M122-F172 HydrophobicContact CB-CD1 3.51Å; M122-F172 HydrophobicContact CB-CE1 3.63Å; M122-F172 HydrophobicContact CB-CG 4.24Å; M122-F172 HydrophobicContact CB-CZ 4.44Å; M122-F172 HydrophobicContact CE-CE1 4.33Å; M122-F172 HydrophobicContact CG-CD1 4.23Å; M122-F172 HydrophobicContact CG-CE1 3.87Å; M122-F172 HydrophobicContact CG-CZ 4.28Å; I170-F172 HydrophobicContact CB-CE2 4.12Å; I170-F172 HydrophobicContact CG2-CD2 3.9Å; I170-F172 HydrophobicContact CG2-CE1 4.26Å; I170-F172 HydrophobicContact CG2-CE2 3.35Å; I170-F172 HydrophobicContact CG2-CZ 3.56Å; F172-S174 PolarHBondContact O-N 2.79Å; F172-T175 HydrophobicContact CB-CG2 3.97Å; F172-H183 HydrophobicContact CE1-CB 4.5Å; F172-A185 HydrophobicContact CE1-CB 3.94Å; F172-A185 HydrophobicContact CZ-CB 3.8Å; F172-V186 HydrophobicContact CD1-CG2 4.25Å; F172-V186 HydrophobicContact CD2-CG2 4.18Å; F172-V186 HydrophobicContact CE1-CG2 3.98Å; F172-V186 HydrophobicContact CE2-CG2 3.88Å; F172-V186 HydrophobicContact CG-CG2 4.36Å; F172-V186 HydrophobicContact CZ-CG2 3.78Å; F172-T196 HydrophobicContact CD2-CG2 4.42Å; F172-T196 HydrophobicContact CE2-CG2 3.82Å; F172-I197 PolarHBondContact N-O 3.12Å; F172-G198 CarbonylContact O-C 3.5Å; F172-G198 VanDerWaalsContact O-CA 3.32Å; F172-G198 WeakPolarHBondContact O-CA 3.26Å; F172-V199 PolarHBondContact O-N 2.9Å
173	L	95.7	Very high	93.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	28%	0.275	C	S	.	.	S	Bend	trans	-74.2	-19.3	171.5	-71.9	171.5	0	0	0	112.4	F121 M122 H123 I132 L171 F226 C227 F230	F121-L173 HydrophobicContact CD1-CD1 4.42Å; M122-L173 PolarHBondContact O-N 2.93Å; H123-L173 HydrophobicContact CB-CB 4.38Å; I132-L173 HydrophobicContact CB-CD1 4.37Å; I132-L173 HydrophobicContact CD1-CD1 3.51Å; I132-L173 HydrophobicContact CG1-CD1 3.53Å; I132-L173 HydrophobicContact CG2-CD1 3.96Å; L171-L173 HydrophobicContact CD2-CD2 3.68Å; L171-L173 HydrophobicContact CD2-CG 3.67Å; L173-F226 HydrophobicContact CD2-CB 3.81Å; L173-C227 VanDerWaalsContact CD1-SG 3.55Å; L173-F230 HydrophobicContact CD2-CD2 4.33Å; L173-F230 HydrophobicContact CD2-CE2 4.42Å
174	S	94.4	Very high	94	Very high	13 Å²	13	47.2 Å²	47.2	9%	0.091	25%	0.252	C	S	.	.			trans	-143.6	138.4	162.9	173.5	0	0	0	0	107.4	H123 F172 C176 D217	H123-S174 WeakPolarHBondContact ND1-CB 2.99Å; H123-S174 PolarHBondContact ND1-N 3.49Å; F172-S174 PolarHBondContact O-N 2.79Å; S174-C176 PolarHBondContact OG-N 2.92Å; S174-C176 PolarHBondContact OG-O 2.86Å; S174-D217 WeakPolarHBondContact CB-OD2 3.28Å; S174-D217 PolarHBondContact OG-OD2 2.85Å
175	T	94.4	Very high	94.1	Very high	5 Å²	5	44.5 Å²	44.5	3%	0.031	24%	0.236	C	C	.	.	S	Bend	trans	-93.8	-8.5	-177.8	60	0	0	0	0	112.2	F172 H183 V199 V200 S204 I209	F172-T175 HydrophobicContact CB-CG2 3.97Å; T175-H183 VanDerWaalsContact O-CB 3.31Å; T175-H183 WeakPolarHBondContact O-CB 3.43Å; T175-H183 PolarHBondContact O-N 2.91Å; T175-V199 VanDerWaalsContact CG2-O 3.27Å; T175-V199 WeakPolarHBondContact CG2-O 3.33Å; T175-V200 HydrophobicContact CG2-CG1 4.03Å; T175-S204 WeakPolarHBondContact OG1-CB 3.42Å; T175-S204 PolarHBondContact OG1-OG 3.05Å; T175-S204 VanDerWaalsContact OG1-OG 3.08Å; T175-I209 HydrophobicContact CG2-CD1 3.29Å; T175-I209 HydrophobicContact CG2-CG1 4.44Å
176	C	92.5	Very high	94.1	Very high	11 Å²	11	37.5 Å²	37.5	7%	0.074	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-96.1	150.6	175	-76.2	0	0	0	0	111.5	S174 R181	S174-C176 PolarHBondContact OG-N 2.92Å; S174-C176 PolarHBondContact OG-O 2.86Å; C176-R181 CarbonylContact C-O 3.58Å; C176-R181 WeakPolarHBondContact CA-O 3.46Å
177	N	91	Very high	94.2	Very high	43 Å²	43	42.1 Å²	42.1	23%	0.23	23%	0.225	C	C	.	.			trans	-83.3	177.8	168.4	69.2	15.9	0	0	0	111.2	I179 S180 R181	N177-I179 PolarHBondContact O-N 3.35Å; N177-I179 VanDerWaalsContact OD1-C 3.31Å; N177-I179 WeakPolarHBondContact OD1-CA 3.43Å; N177-I179 PolarHBondContact OD1-N 2.78Å; N177-S180 PolarHBondContact O-N 2.85Å; N177-S180 PolarHBondContact OD1-N 3.21Å; N177-R181 VanDerWaalsContact CG-O 3.24Å; N177-R181 PolarHBondContact N-O 3.04Å; N177-R181 PolarHBondContact OD1-N 3.4Å; N177-R181 PolarHBondContact OD1-O 3.42Å
178	S	85.9	Confident	94.1	Very high	88 Å²	88	41.6 Å²	41.6	62%	0.615	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-8.1	179.2	-45.5	0	0	0	0	115.3	Q124	Q124-S178 PolarHBondContact O-OG 3.04Å
179	I	89.2	Confident	94.1	Very high	128 Å²	128	39.2 Å²	39.2	66%	0.656	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.7	21.4	178.7	-39	175.9	0	0	0	110.1	N177 R181	N177-I179 PolarHBondContact O-N 3.35Å; N177-I179 VanDerWaalsContact OD1-C 3.31Å; N177-I179 WeakPolarHBondContact OD1-CA 3.43Å; N177-I179 PolarHBondContact OD1-N 2.78Å; I179-R181 PolarHBondContact O-N 3.31Å; I179-R181 VanDerWaalsContact O-N 3.12Å
180	S	88.1	Confident	94	Very high	73 Å²	73	41.2 Å²	41.2	51%	0.51	23%	0.225	S	C	.	.	S	Bend	trans	55.7	31.3	178.5	-157.2	0	0	0	0	113.7	N177 N203	N177-S180 PolarHBondContact O-N 2.85Å; N177-S180 PolarHBondContact OD1-N 3.21Å; S180-N203 PolarHBondContact OG-ND2 3.03Å; S180-N203 VanDerWaalsContact OG-ND2 3.13Å
181	R	91.4	Very high	93.9	Very high	171 Å²	171	47.4 Å²	47.4	65%	0.645	25%	0.252	S	S	*	.	S	Bend	trans	-107	153.3	171.2	-63.6	-173.7	179.3	-174.9	-0.7	110	C176 N177 I179 H183	C176-R181 CarbonylContact C-O 3.58Å; C176-R181 WeakPolarHBondContact CA-O 3.46Å; N177-R181 VanDerWaalsContact CG-O 3.24Å; N177-R181 PolarHBondContact N-O 3.04Å; N177-R181 PolarHBondContact OD1-N 3.4Å; N177-R181 PolarHBondContact OD1-O 3.42Å; I179-R181 PolarHBondContact O-N 3.31Å; I179-R181 VanDerWaalsContact O-N 3.12Å; R181-H183 PolarHBondContact O-N 3.31Å
182	P	93	Very high	93.8	Very high	91 Å²	91	51 Å²	51	59%	0.591	27%	0.27	S	S	*	.	B	Isolated β-bridge	trans	-53	130.8	175.8	-26.3	34.3	0	0	0	111.9	S184	P182-S184 PolarHBondContact O-N 3.36Å
183	H	94.4	Very high	93.8	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.009	30%	0.303	C	S	.	.			trans	-64.2	126.3	179.1	-169.1	-63.4	0	0	0	109.9	M122 Q124 W148 F172 T175 R181 A185 V186	M122-H183 VanDerWaalsContact CE-CE1 3.43Å; M122-H183 WeakPolarHBondContact CE-CE1 3.43Å; Q124-H183 VanDerWaalsContact CD-CD2 3.42Å; Q124-H183 PolarHBondContact NE2-CD2 3.37Å; Q124-H183 VanDerWaalsContact NE2-CD2 3.28Å; Q124-H183 PolarHBondContact NE2-NE2 3.07Å; W148-H183 AromaticContact CD2-CE1 3.91Å; W148-H183 AromaticContact CG-CE1 3.54Å; F172-H183 HydrophobicContact CE1-CB 4.5Å; T175-H183 VanDerWaalsContact O-CB 3.31Å; T175-H183 WeakPolarHBondContact O-CB 3.43Å; T175-H183 PolarHBondContact O-N 2.91Å; R181-H183 PolarHBondContact O-N 3.31Å; H183-A185 WeakPolarHBondContact CE1-CB 3.26Å; H183-A185 WeakPolarHBondContact ND1-CB 3.34Å; H183-A185 PolarHBondContact ND1-N 3.48Å; H183-A185 PolarHBondContact O-N 2.92Å; H183-V186 HydrophobicContact CB-CG2 4.29Å; H183-V186 WeakPolarHBondContact O-CB 3.42Å; H183-V186 PolarHBondContact O-N 3.33Å
184	S	94.1	Very high	93.9	Very high	45 Å²	45	58.1 Å²	58.1	32%	0.315	31%	0.307	S	S	.	.	H	α-helix	trans	-60.4	-32	-174.9	40.8	0	0	0	0	113.4	P182 V186 R187 D188	P182-S184 PolarHBondContact O-N 3.36Å; S184-V186 PolarHBondContact O-N 3.32Å; S184-R187 WeakPolarHBondContact O-CB 3.4Å; S184-R187 PolarHBondContact O-N 3.47Å; S184-D188 PolarHBondContact O-N 3.26Å
185	A	95.5	Very high	94	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.4	-26.2	172	0	0	0	0	0	114.5	M122 W148 F153 F172 H183 R187 D188 A189	M122-A185 HydrophobicContact CE-CB 3.94Å; W148-A185 HydrophobicContact CD2-CB 3.89Å; W148-A185 HydrophobicContact CE3-CB 4.36Å; W148-A185 HydrophobicContact CG-CB 4.38Å; W148-A185 HydrophobicContact CH2-CB 4.26Å; W148-A185 HydrophobicContact CZ2-CB 3.76Å; F153-A185 HydrophobicContact CE2-CB 4.11Å; F172-A185 HydrophobicContact CE1-CB 3.94Å; F172-A185 HydrophobicContact CZ-CB 3.8Å; H183-A185 WeakPolarHBondContact CE1-CB 3.26Å; H183-A185 WeakPolarHBondContact ND1-CB 3.34Å; H183-A185 PolarHBondContact ND1-N 3.48Å; H183-A185 PolarHBondContact O-N 2.92Å; A185-R187 VanDerWaalsContact C-N 3.35Å; A185-D188 PolarHBondContact O-N 3.38Å; A185-A189 WeakPolarHBondContact O-CB 3.48Å; A185-A189 PolarHBondContact O-N 2.92Å
186	V	96.2	Very high	94.2	Very high	11 Å²	11	58.9 Å²	58.9	7%	0.067	31%	0.312	C	S	.	.	H	α-helix	trans	-63.2	-45.6	174.6	176.4	0	0	0	0	110	F172 H183 S184 A190 L208 I209	F172-V186 HydrophobicContact CD1-CG2 4.25Å; F172-V186 HydrophobicContact CD2-CG2 4.18Å; F172-V186 HydrophobicContact CE1-CG2 3.98Å; F172-V186 HydrophobicContact CE2-CG2 3.88Å; F172-V186 HydrophobicContact CG-CG2 4.36Å; F172-V186 HydrophobicContact CZ-CG2 3.78Å; H183-V186 HydrophobicContact CB-CG2 4.29Å; H183-V186 WeakPolarHBondContact O-CB 3.42Å; H183-V186 PolarHBondContact O-N 3.33Å; S184-V186 PolarHBondContact O-N 3.32Å; V186-A190 PolarHBondContact O-N 3.01Å; V186-A190 VanDerWaalsContact O-N 3.11Å; V186-L208 HydrophobicContact CG1-CB 3.73Å; V186-I209 HydrophobicContact CG1-CG1 4.26Å
187	R	96	Very high	94.5	Very high	136 Å²	136	58.4 Å²	58.4	51%	0.513	31%	0.309	S	S	.	.	H	α-helix	trans	-67	-40.7	176.4	-176.9	-171.8	65.5	-168	-3.2	111.5	S184 A185 A190 K191	S184-R187 WeakPolarHBondContact O-CB 3.4Å; S184-R187 PolarHBondContact O-N 3.47Å; A185-R187 VanDerWaalsContact C-N 3.35Å; R187-A190 PolarHBondContact O-N 3.39Å; R187-K191 WeakPolarHBondContact O-CG 3.35Å; R187-K191 PolarHBondContact O-N 3.43Å
188	D	95.9	Very high	94.8	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.027	30%	0.298	C	S	.	.	H	α-helix	trans	-70.2	-38.5	-177.9	-60.7	-14.1	0	0	0	111	F153 T154 S184 A185 A190 K191 M192	F153-D188 HydrophobicContact CB-CB 4.42Å; F153-D188 HydrophobicContact CD2-CB 4.02Å; T154-D188 HydrophobicContact CG2-CB 4.31Å; S184-D188 PolarHBondContact O-N 3.26Å; A185-D188 PolarHBondContact O-N 3.38Å; D188-A190 PolarHBondContact O-N 3.05Å; D188-K191 WeakPolarHBondContact O-CB 3.5Å; D188-K191 PolarHBondContact O-N 2.92Å; D188-M192 WeakPolarHBondContact O-CG 3.32Å; D188-M192 PolarHBondContact O-N 3.44Å
189	A	96.6	Very high	95.4	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-45.4	171.5	0	0	0	0	0	111.7	I170 A185 K191 M192 L193 I194 T196	I170-A189 HydrophobicContact CD1-CB 3.62Å; A185-A189 WeakPolarHBondContact O-CB 3.48Å; A185-A189 PolarHBondContact O-N 2.92Å; A189-K191 VanDerWaalsContact C-N 3.31Å; A189-K191 PolarHBondContact O-N 3.24Å; A189-M192 CarbonylContact O-C 3.55Å; A189-M192 PolarHBondContact O-N 3.36Å; A189-M192 VanDerWaalsContact O-N 3.11Å; A189-L193 PolarHBondContact O-N 3.01Å; A189-I194 HydrophobicContact CB-CB 4.34Å; A189-I194 PolarHBondContact O-N 2.97Å; A189-T196 HydrophobicContact CB-CG2 3.58Å
190	A	96.3	Very high	95.8	Very high	42 Å²	42	46.1 Å²	46.1	35%	0.347	24%	0.237	S	C	.	.	H	α-helix	trans	-61.1	-38.7	176.6	0	0	0	0	0	112.5	V186 R187 D188 M192 L193	V186-A190 PolarHBondContact O-N 3.01Å; V186-A190 VanDerWaalsContact O-N 3.11Å; R187-A190 PolarHBondContact O-N 3.39Å; D188-A190 PolarHBondContact O-N 3.05Å; A190-M192 VanDerWaalsContact C-N 3.32Å; A190-M192 PolarHBondContact O-N 2.99Å; A190-L193 PolarHBondContact O-N 2.66Å
191	K	96.8	Very high	96.1	Very high	130 Å²	130	42.7 Å²	42.7	57%	0.565	21%	0.213	S	C	*	.	H	α-helix	trans	-64.7	-36.5	174.5	-73.2	175.2	178.9	-179.7	0	112.5	T154 R187 D188 A189 L193	T154-K191 HydrophobicContact CG2-CD 4.31Å; R187-K191 WeakPolarHBondContact O-CG 3.35Å; R187-K191 PolarHBondContact O-N 3.43Å; D188-K191 WeakPolarHBondContact O-CB 3.5Å; D188-K191 PolarHBondContact O-N 2.92Å; A189-K191 VanDerWaalsContact C-N 3.31Å; A189-K191 PolarHBondContact O-N 3.24Å; K191-L193 VanDerWaalsContact C-N 3.3Å
192	M	96	Very high	96.4	Very high	76 Å²	76	34.5 Å²	34.5	37%	0.374	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	4.6	-179.4	-63	-52.7	-68.6	0	0	113.7	F153 T154 L166 D188 A189 A190 I194	F153-M192 HydrophobicContact CB-CG 3.96Å; T154-M192 HydrophobicContact CG2-CG 4.47Å; T154-M192 HydrophobicContact CG2-SD 4.39Å; L166-M192 HydrophobicContact CD1-CE 3.74Å; D188-M192 WeakPolarHBondContact O-CG 3.32Å; D188-M192 PolarHBondContact O-N 3.44Å; A189-M192 CarbonylContact O-C 3.55Å; A189-M192 PolarHBondContact O-N 3.36Å; A189-M192 VanDerWaalsContact O-N 3.11Å; A190-M192 VanDerWaalsContact C-N 3.32Å; A190-M192 PolarHBondContact O-N 2.99Å; M192-I194 HydrophobicContact CB-CD1 3.81Å; M192-I194 HydrophobicContact CB-CG1 3.98Å; M192-I194 PolarHBondContact O-N 3.47Å
193	L	96.4	Very high	96.5	Very high	134 Å²	134	31.7 Å²	31.7	70%	0.702	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.9	30.5	-177.4	-54.8	174	0	0	0	113.3	A189 A190 K191	A189-L193 PolarHBondContact O-N 3.01Å; A190-L193 PolarHBondContact O-N 2.66Å; K191-L193 VanDerWaalsContact C-N 3.3Å
194	I	97.2	Very high	96.5	Very high	16 Å²	16	31.7 Å²	31.7	8%	0.082	16%	0.162	C	C	.	.			trans	-88.4	123.1	175.9	-60	167.1	0	0	0	107.8	L166 P167 I170 A189 M192	L166-I194 HydrophobicContact CB-CD1 4.37Å; P167-I194 HydrophobicContact CG-CD1 4.41Å; P167-I194 WeakPolarHBondContact O-CG2 3.42Å; I170-I194 HydrophobicContact CD1-CB 4.26Å; I170-I194 HydrophobicContact CD1-CD1 4.31Å; I170-I194 HydrophobicContact CD1-CG2 3.66Å; I170-I194 HydrophobicContact CG1-CG2 3.83Å; A189-I194 HydrophobicContact CB-CB 4.34Å; A189-I194 PolarHBondContact O-N 2.97Å; M192-I194 HydrophobicContact CB-CD1 3.81Å; M192-I194 HydrophobicContact CB-CG1 3.98Å; M192-I194 PolarHBondContact O-N 3.47Å
195	P	98.1	Very high	96.6	Very high	33 Å²	33	31.3 Å²	31.3	21%	0.214	16%	0.157	C	C	.	.			trans	-65.4	144.7	177	28.7	-35.4	0	0	0	110.9	F108 D168 I170	F108-P195 HydrophobicContact CE1-CB 3.89Å; F108-P195 HydrophobicContact CE1-CG 3.92Å; F108-P195 HydrophobicContact CZ-CB 3.94Å; F108-P195 HydrophobicContact CZ-CG 3.94Å; D168-P195 WeakPolarHBondContact O-CD 3.4Å; D168-P195 WeakPolarHBondContact O-CG 3.4Å; I170-P195 PolarHBondContact N-O 3.17Å
196	T	98.3	Very high	96.6	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.012	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.5	-176	54.2	0	0	0	0	111	I170 F172 A189 I209 S210 Y211	I170-T196 HydrophobicContact CB-CG2 4.36Å; I170-T196 WeakPolarHBondContact O-CA 3.49Å; F172-T196 HydrophobicContact CD2-CG2 4.42Å; F172-T196 HydrophobicContact CE2-CG2 3.82Å; A189-T196 HydrophobicContact CB-CG2 3.58Å; T196-I209 WeakPolarHBondContact OG1-CA 3.32Å; T196-S210 PolarHBondContact N-OG 3.04Å; T196-S210 WeakPolarHBondContact O-CA 3.47Å; T196-S210 VanDerWaalsContact O-CB 3.27Å; T196-S210 WeakPolarHBondContact O-CB 3.21Å; T196-S210 PolarHBondContact O-N 3.03Å; T196-S210 PolarHBondContact OG1-N 2.71Å; T196-S210 VanDerWaalsContact OG1-N 3.12Å; T196-Y211 PolarHBondContact O-N 2.94Å
197	I	98.5	Very high	96.6	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	135	162.8	-65.4	166.4	0	0	0	106.5	A105 F108 A109 L169 I170 L171 F172 Y211 V213 F230	A105-I197 HydrophobicContact CB-CD1 4.27Å; A105-I197 HydrophobicContact CB-CG1 4.3Å; A105-I197 HydrophobicContact CB-CG2 3.81Å; A105-I197 VanDerWaalsContact O-CD1 3.25Å; A105-I197 WeakPolarHBondContact O-CD1 3.36Å; F108-I197 HydrophobicContact CD1-CD1 4.26Å; A109-I197 HydrophobicContact CB-CD1 3.96Å; L169-I197 HydrophobicContact CD1-CB 4.45Å; L169-I197 HydrophobicContact CD1-CD1 3.82Å; L169-I197 HydrophobicContact CD1-CG1 3.86Å; L169-I197 HydrophobicContact CD2-CD1 3.92Å; L169-I197 HydrophobicContact CG-CD1 4.46Å; I170-I197 PolarHBondContact O-N 2.67Å; L171-I197 CarbonylContact C-O 3.53Å; L171-I197 WeakPolarHBondContact CA-O 3.16Å; F172-I197 PolarHBondContact N-O 3.12Å; I197-Y211 HydrophobicContact CG1-CD2 4.29Å; I197-Y211 HydrophobicContact CG1-CG 4.43Å; I197-V213 HydrophobicContact CG2-CG2 4.49Å; I197-F230 HydrophobicContact CD1-CE1 4.34Å; I197-F230 HydrophobicContact CG2-CE1 3.98Å; I197-F230 HydrophobicContact CG2-CZ 3.66Å
198	G	97.4	Very high	96.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	129.3	-178.6	0	0	0	0	0	113.1	F172 V200 Y211 P212 V213	F172-G198 CarbonylContact O-C 3.5Å; F172-G198 VanDerWaalsContact O-CA 3.32Å; F172-G198 WeakPolarHBondContact O-CA 3.26Å; G198-V200 PolarHBondContact O-N 2.79Å; G198-Y211 PolarHBondContact N-O 2.95Å; G198-Y211 VanDerWaalsContact N-O 3.15Å; G198-P212 WeakPolarHBondContact O-CA 3.32Å; G198-V213 PolarHBondContact O-N 3.39Å
199	V	97.6	Very high	96.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	117.9	166.4	-177.7	0	0	0	0	107.9	F172 T175 V213 D217 F226	F172-V199 PolarHBondContact O-N 2.9Å; T175-V199 VanDerWaalsContact CG2-O 3.27Å; T175-V199 WeakPolarHBondContact CG2-O 3.33Å; V199-V213 CarbonylContact C-O 3.48Å; V199-V213 VanDerWaalsContact CA-O 3.31Å; V199-V213 WeakPolarHBondContact CA-O 3.34Å; V199-D217 HydrophobicContact CG1-CB 4.2Å; V199-F226 HydrophobicContact CB-CE2 4.42Å; V199-F226 HydrophobicContact CG1-CD2 4.23Å; V199-F226 HydrophobicContact CG1-CE2 3.58Å; V199-F226 HydrophobicContact CG1-CZ 3.98Å; V199-F226 HydrophobicContact CG2-CD2 3.87Å; V199-F226 HydrophobicContact CG2-CE2 3.98Å; V199-F226 HydrophobicContact CG2-CG 4.17Å; V199-F226 HydrophobicContact CG2-CZ 4.37Å
200	V	97.3	Very high	96.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.5	-178.3	-68.6	0	0	0	0	109.7	M79 T175 G198 P206 I209 P212 V213 P214 G215	M79-V200 HydrophobicContact CE-CB 4.26Å; M79-V200 HydrophobicContact CE-CG2 3.88Å; M79-V200 HydrophobicContact SD-CB 4.04Å; M79-V200 HydrophobicContact SD-CG2 3.86Å; T175-V200 HydrophobicContact CG2-CG1 4.03Å; G198-V200 PolarHBondContact O-N 2.79Å; V200-P206 HydrophobicContact CG1-CB 4.23Å; V200-P206 HydrophobicContact CG2-CB 4.44Å; V200-I209 HydrophobicContact CG1-CD1 3.32Å; V200-P212 HydrophobicContact CG1-CB 4.21Å; V200-P212 HydrophobicContact CG2-CB 3.95Å; V200-V213 PolarHBondContact N-O 3.09Å; V200-P214 WeakPolarHBondContact O-CA 3.4Å; V200-G215 PolarHBondContact O-N 2.58Å
201	D	96	Very high	96.8	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	20%	0.201	C	C	.	.			trans	-86.7	166.5	167.5	-163.2	-8.1	0	0	0	109.8	G69 H70 N203 S204 D217	G69-D201 WeakPolarHBondContact CA-OD1 3.42Å; H70-D201 IonicContact CE1-OD2 2.63Å; H70-D201 PolarHBondContact CE1-OD2 3.47Å; H70-D201 IonicContact CG-OD2 3.58Å; H70-D201 IonicContact ND1-OD1 3.04Å; H70-D201 IonicContact ND1-OD2 2.71Å; H70-D201 PolarHBondContact ND1-OD2 3.31Å; D201-N203 PolarHBondContact O-N 3.36Å; D201-N203 VanDerWaalsContact O-N 3.07Å; D201-S204 PolarHBondContact N-OG 3.35Å; D201-S204 WeakPolarHBondContact O-CA 3.35Å; D201-S204 WeakPolarHBondContact O-CB 3.21Å; D201-S204 PolarHBondContact O-N 3.37Å; D201-D217 WeakPolarHBondContact CB-OD1 3.41Å
202	T	96.8	Very high	96.9	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-28.8	176.3	50.1	0	0	0	0	115.7	H70 N76 I83 D91 I93	H70-T202 WeakPolarHBondContact CB-OG1 3.41Å; H70-T202 PolarHBondContact N-OG1 3.25Å; N76-T202 PolarHBondContact N-O 3.13Å; I83-T202 HydrophobicContact CD1-CG2 3.99Å; I83-T202 HydrophobicContact CG1-CG2 4.12Å; D91-T202 HydrophobicContact CB-CG2 3.79Å; I93-T202 HydrophobicContact CD1-CG2 4.27Å; I93-T202 HydrophobicContact CG1-CG2 4.02Å
203	N	95.1	Very high	97	Very high	31 Å²	31	31.8 Å²	31.8	17%	0.166	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-9.1	175.5	64.7	-8.6	0	0	0	114	L74 S180 D201	L74-N203 WeakPolarHBondContact O-CA 3.38Å; L74-N203 WeakPolarHBondContact O-CB 3.3Å; S180-N203 PolarHBondContact OG-ND2 3.03Å; S180-N203 VanDerWaalsContact OG-ND2 3.13Å; D201-N203 PolarHBondContact O-N 3.36Å; D201-N203 VanDerWaalsContact O-N 3.07Å
204	S	95.1	Very high	97.1	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.014	13%	0.128	C	C	.	.	S	Bend	trans	-84	160.2	-174.1	-61.1	0	0	0	0	112	N76 M79 T175 D201	N76-S204 WeakPolarHBondContact CB-O 3.19Å; N76-S204 PolarHBondContact ND2-O 2.93Å; M79-S204 WeakPolarHBondContact CG-O 3.35Å; T175-S204 WeakPolarHBondContact OG1-CB 3.42Å; T175-S204 PolarHBondContact OG1-OG 3.05Å; T175-S204 VanDerWaalsContact OG1-OG 3.08Å; D201-S204 PolarHBondContact N-OG 3.35Å; D201-S204 WeakPolarHBondContact O-CA 3.35Å; D201-S204 WeakPolarHBondContact O-CB 3.21Å; D201-S204 PolarHBondContact O-N 3.37Å
205	D	95.6	Very high	97.1	Very high	38 Å²	38	24.7 Å²	24.7	20%	0.203	12%	0.124	C	C	.	.			trans	-103.9	108.2	175.7	-174.6	-3.9	0	0	0	110.8	N76 R207	N76-D205 WeakPolarHBondContact ND2-CA 3.49Å; D205-R207 VanDerWaalsContact C-N 3.32Å; D205-R207 PolarHBondContact O-N 2.82Å; D205-R207 WeakPolarHBondContact OD1-CB 3.17Å; D205-R207 VanDerWaalsContact OD1-CG 3.25Å; D205-R207 WeakPolarHBondContact OD1-CG 3.32Å; D205-R207 IonicContact OD1-CZ 3.79Å; D205-R207 PolarHBondContact OD1-N 3.39Å; D205-R207 VanDerWaalsContact OD1-N 3.1Å; D205-R207 IonicContact OD1-NE 2.67Å; D205-R207 PolarHBondContact OD1-NE 3.3Å; D205-R207 IonicContact OD1-NH2 3.3Å; D205-R207 IonicContact OD2-CZ 3.59Å; D205-R207 VanDerWaalsContact OD2-CZ 3.3Å; D205-R207 IonicContact OD2-NE 3.83Å; D205-R207 PolarHBondContact OD2-NE 3.38Å; D205-R207 VanDerWaalsContact OD2-NE 3.12Å; D205-R207 IonicContact OD2-NH2 2.68Å; D205-R207 PolarHBondContact OD2-NH2 2.64Å
206	P	96.3	Very high	97	Very high	9 Å²	9	23.7 Å²	23.7	6%	0.058	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-77.2	-12.6	-176.1	31	-35.5	0	0	0	114.1	M79 Y82 V200 L208 I209 P212	M79-P206 HydrophobicContact SD-CB 4.29Å; M79-P206 HydrophobicContact SD-CG 3.9Å; Y82-P206 HydrophobicContact CE2-CB 4.39Å; Y82-P206 HydrophobicContact CE2-CG 4.17Å; V200-P206 HydrophobicContact CG1-CB 4.23Å; V200-P206 HydrophobicContact CG2-CB 4.44Å; P206-L208 VanDerWaalsContact C-N 3.32Å; P206-L208 PolarHBondContact O-N 3.05Å; P206-I209 PolarHBondContact O-N 3.25Å; P206-I209 VanDerWaalsContact O-N 3.08Å; P206-P212 HydrophobicContact CB-CB 3.92Å; P206-P212 HydrophobicContact CB-CG 4.39Å
207	R	96	Very high	96.8	Very high	145 Å²	145	23.9 Å²	23.9	55%	0.547	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-64	-30.3	-164.4	-66.6	176.9	-64.2	166.2	3.5	115.3	Y78 D205	Y78-R207 HydrophobicContact CD1-CG 4.21Å; Y78-R207 HydrophobicContact CD2-CG 4.43Å; Y78-R207 VanDerWaalsContact CE2-NE 3.35Å; Y78-R207 HydrophobicContact CG-CG 4.1Å; Y78-R207 VanDerWaalsContact CZ-CZ 3.49Å; Y78-R207 VanDerWaalsContact CZ-NH1 3.28Å; Y78-R207 PolarHBondContact OH-NH1 3.01Å; D205-R207 VanDerWaalsContact C-N 3.32Å; D205-R207 PolarHBondContact O-N 2.82Å; D205-R207 WeakPolarHBondContact OD1-CB 3.17Å; D205-R207 VanDerWaalsContact OD1-CG 3.25Å; D205-R207 WeakPolarHBondContact OD1-CG 3.32Å; D205-R207 IonicContact OD1-CZ 3.79Å; D205-R207 PolarHBondContact OD1-N 3.39Å; D205-R207 VanDerWaalsContact OD1-N 3.1Å; D205-R207 IonicContact OD1-NE 2.67Å; D205-R207 PolarHBondContact OD1-NE 3.3Å; D205-R207 IonicContact OD1-NH2 3.3Å; D205-R207 IonicContact OD2-CZ 3.59Å; D205-R207 VanDerWaalsContact OD2-CZ 3.3Å; D205-R207 IonicContact OD2-NE 3.83Å; D205-R207 PolarHBondContact OD2-NE 3.38Å; D205-R207 VanDerWaalsContact OD2-NE 3.12Å; D205-R207 IonicContact OD2-NH2 2.68Å; D205-R207 PolarHBondContact OD2-NH2 2.64Å
208	L	96	Very high	96.6	Very high	92 Å²	92	28 Å²	28	48%	0.482	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-93.4	-1.2	-179.4	-68.8	179.2	0	0	0	113.1	V186 P206	V186-L208 HydrophobicContact CG1-CB 3.73Å; P206-L208 VanDerWaalsContact C-N 3.32Å; P206-L208 PolarHBondContact O-N 3.05Å
209	I	97.3	Very high	96.5	Very high	12 Å²	12	28.7 Å²	28.7	6%	0.062	15%	0.145	C	C	.	.			trans	-94.2	131.5	-177.9	-59.9	168.2	0	0	0	108.2	T175 V186 T196 V200 P206 P212	T175-I209 HydrophobicContact CG2-CD1 3.29Å; T175-I209 HydrophobicContact CG2-CG1 4.44Å; V186-I209 HydrophobicContact CG1-CG1 4.26Å; T196-I209 WeakPolarHBondContact OG1-CA 3.32Å; V200-I209 HydrophobicContact CG1-CD1 3.32Å; P206-I209 PolarHBondContact O-N 3.25Å; P206-I209 VanDerWaalsContact O-N 3.08Å; I209-P212 HydrophobicContact CB-CB 4.34Å; I209-P212 HydrophobicContact CG2-CB 4.23Å
210	S	97.2	Very high	96.4	Very high	65 Å²	65	30.8 Å²	30.8	46%	0.455	16%	0.159	S	C	.	.	S	Bend	trans	-70	-43.4	-177.6	-50.4	0	0	0	0	111.5	T196	T196-S210 PolarHBondContact N-OG 3.04Å; T196-S210 WeakPolarHBondContact O-CA 3.47Å; T196-S210 VanDerWaalsContact O-CB 3.27Å; T196-S210 WeakPolarHBondContact O-CB 3.21Å; T196-S210 PolarHBondContact O-N 3.03Å; T196-S210 PolarHBondContact OG1-N 2.71Å; T196-S210 VanDerWaalsContact OG1-N 3.12Å
211	Y	98.3	Very high	96.3	Very high	69 Å²	69	33.7 Å²	33.7	27%	0.271	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	84.4	176.2	-64.9	-89.1	0	0	0	109.5	D104 F108 T196 I197 G198	D104-Y211 HydrophobicContact CB-CD1 4.41Å; F108-Y211 HydrophobicContact CB-CE2 4.18Å; F108-Y211 HydrophobicContact CD1-CD2 4.17Å; F108-Y211 AromaticContact CD1-CE2 3.83Å; F108-Y211 HydrophobicContact CD1-CE2 3.83Å; F108-Y211 AromaticContact CD2-CE2 3.66Å; F108-Y211 HydrophobicContact CD2-CE2 3.66Å; F108-Y211 AromaticContact CD2-CZ 3.69Å; F108-Y211 WeakPolarHBondContact CD2-OH 3.45Å; F108-Y211 HydrophobicContact CE1-CE2 4.1Å; F108-Y211 AromaticContact CE2-CE2 3.95Å; F108-Y211 HydrophobicContact CE2-CE2 3.95Å; F108-Y211 HydrophobicContact CG-CD2 4.21Å; F108-Y211 AromaticContact CG-CE2 3.59Å; F108-Y211 HydrophobicContact CG-CE2 3.59Å; F108-Y211 AromaticContact CG-CZ 3.88Å; F108-Y211 HydrophobicContact CZ-CE2 4.16Å; T196-Y211 PolarHBondContact O-N 2.94Å; I197-Y211 HydrophobicContact CG1-CD2 4.29Å; I197-Y211 HydrophobicContact CG1-CG 4.43Å; G198-Y211 PolarHBondContact N-O 2.95Å; G198-Y211 VanDerWaalsContact N-O 3.15Å
212	P	97.9	Very high	96.4	Very high	18 Å²	18	33.6 Å²	33.6	12%	0.117	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	129.6	175.9	29.8	-32.5	0	0	0	110	G198 V200 P206 I209	G198-P212 WeakPolarHBondContact O-CA 3.32Å; V200-P212 HydrophobicContact CG1-CB 4.21Å; V200-P212 HydrophobicContact CG2-CB 3.95Å; P206-P212 HydrophobicContact CB-CB 3.92Å; P206-P212 HydrophobicContact CB-CG 4.39Å; I209-P212 HydrophobicContact CB-CB 4.34Å; I209-P212 HydrophobicContact CG2-CB 4.23Å
213	V	98.1	Very high	96.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	105.7	176.3	-177.9	0	0	0	0	108.5	T98 M102 A105 I197 G198 V199 V200 G215	T98-V213 HydrophobicContact CG2-CG1 4.16Å; M102-V213 HydrophobicContact CB-CG1 4.12Å; M102-V213 HydrophobicContact CE-CG1 3.57Å; M102-V213 HydrophobicContact SD-CG1 4.12Å; A105-V213 HydrophobicContact CB-CG2 3.67Å; I197-V213 HydrophobicContact CG2-CG2 4.49Å; G198-V213 PolarHBondContact O-N 3.39Å; V199-V213 CarbonylContact C-O 3.48Å; V199-V213 VanDerWaalsContact CA-O 3.31Å; V199-V213 WeakPolarHBondContact CA-O 3.34Å; V200-V213 PolarHBondContact N-O 3.09Å; V213-G215 PolarHBondContact O-N 2.82Å
214	P	98.2	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	124.5	-180	-17.8	29.6	0	0	0	111	M79 Y82 I93 T98 L101 V200	M79-P214 HydrophobicContact CE-CB 4.36Å; Y82-P214 HydrophobicContact CD1-CB 4.45Å; Y82-P214 HydrophobicContact CD1-CG 3.4Å; Y82-P214 VanDerWaalsContact CD1-CG 3.4Å; Y82-P214 HydrophobicContact CD2-CG 4.41Å; Y82-P214 HydrophobicContact CE1-CG 4.06Å; Y82-P214 HydrophobicContact CG-CB 4.24Å; Y82-P214 HydrophobicContact CG-CG 3.6Å; I93-P214 HydrophobicContact CG2-CB 3.54Å; T98-P214 WeakPolarHBondContact CB-O 3.46Å; T98-P214 WeakPolarHBondContact CG2-O 3.25Å; T98-P214 PolarHBondContact OG1-O 3.3Å; L101-P214 HydrophobicContact CD1-CG 3.84Å; V200-P214 WeakPolarHBondContact O-CA 3.4Å
215	G	97.4	Very high	96.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.199	C	C	.	.			trans	178.6	165.3	178.6	0	0	0	0	0	114	V200 V213 D217	V200-G215 PolarHBondContact O-N 2.58Å; V213-G215 PolarHBondContact O-N 2.82Å; G215-D217 PolarHBondContact O-N 3.07Å
216	N	96.8	Very high	96.6	Very high	13 Å²	13	37.8 Å²	37.8	7%	0.07	19%	0.189	C	C	.	.			trans	-68.6	115.6	176	-171.8	-21	0	0	0	111.9	R65 V66 L68 D218 S219 A222 F226	R65-N216 WeakPolarHBondContact O-CB 3.4Å; R65-N216 PolarHBondContact O-ND2 3.22Å; V66-N216 PolarHBondContact O-N 3.5Å; L68-N216 VanDerWaalsContact O-CB 3.28Å; L68-N216 WeakPolarHBondContact O-CB 3.46Å; L68-N216 PolarHBondContact O-ND2 3.15Å; N216-D218 WeakPolarHBondContact OD1-CB 3.43Å; N216-D218 PolarHBondContact OD1-N 2.99Å; N216-S219 WeakPolarHBondContact ND2-CB 3.24Å; N216-S219 PolarHBondContact OD1-N 3.44Å; N216-A222 HydrophobicContact CB-CB 4.2Å; N216-A222 VanDerWaalsContact O-CB 3.24Å; N216-A222 WeakPolarHBondContact O-CB 3.27Å; N216-F226 WeakPolarHBondContact O-CE2 3.48Å
217	D	94.8	Very high	96.7	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.032	19%	0.187	C	C	.	.	S	Bend	trans	-98.7	-3.9	175.6	68.8	-21.3	0	0	0	114	S174 V199 D201 G215 V223	S174-D217 WeakPolarHBondContact CB-OD2 3.28Å; S174-D217 PolarHBondContact OG-OD2 2.85Å; V199-D217 HydrophobicContact CG1-CB 4.2Å; D201-D217 WeakPolarHBondContact CB-OD1 3.41Å; G215-D217 PolarHBondContact O-N 3.07Å; D217-V223 WeakPolarHBondContact O-CG2 3.34Å
218	D	93.4	Very high	96.7	Very high	86 Å²	86	33.3 Å²	33.3	46%	0.46	18%	0.184	S	C	.	.	S	Bend	trans	-88.1	-38.1	178.1	-74.8	-41.1	0	0	0	113	H70 N216 P220	H70-D218 IonicContact CE1-OD2 3.33Å; H70-D218 PolarHBondContact CE1-OD2 3.08Å; H70-D218 IonicContact ND1-OD2 2.64Å; H70-D218 IonicContact NE2-OD2 3.12Å; N216-D218 WeakPolarHBondContact OD1-CB 3.43Å; N216-D218 PolarHBondContact OD1-N 2.99Å; D218-P220 WeakPolarHBondContact O-CD 3.39Å
219	S	94.6	Very high	96.8	Very high	15 Å²	15	29.4 Å²	29.4	11%	0.105	16%	0.163	C	C	.	.			trans	-70.7	125.1	-173.7	-173	0	0	0	0	111.3	N216 T221 A222 V223	N216-S219 WeakPolarHBondContact ND2-CB 3.24Å; N216-S219 PolarHBondContact OD1-N 3.44Å; S219-T221 PolarHBondContact O-N 2.85Å; S219-T221 VanDerWaalsContact O-N 3.1Å; S219-A222 PolarHBondContact O-N 2.92Å; S219-V223 WeakPolarHBondContact O-CG2 3.46Å; S219-V223 PolarHBondContact O-N 3.04Å
220	P	95.4	Very high	96.8	Very high	45 Å²	45	28.9 Å²	28.9	29%	0.292	16%	0.16	S	C	.	.	H	α-helix	trans	-57.8	-30.1	175.4	-27.7	36.2	0	0	0	113.4	M128 D218 R224	M128-P220 HydrophobicContact CE-CB 3.75Å; M128-P220 HydrophobicContact CE-CG 3.79Å; M128-P220 HydrophobicContact SD-CB 4.02Å; D218-P220 WeakPolarHBondContact O-CD 3.39Å; P220-R224 WeakPolarHBondContact O-CB 3.47Å; P220-R224 VanDerWaalsContact O-CG 3.3Å; P220-R224 WeakPolarHBondContact O-CG 3.42Å; P220-R224 PolarHBondContact O-N 3.06Å; P220-R224 PolarHBondContact O-NE 3.41Å
221	T	96.7	Very high	96.9	Very high	60 Å²	60	26.7 Å²	26.7	37%	0.368	15%	0.147	S	C	.	.	H	α-helix	trans	-73	-39.6	178.4	-53.4	0	0	0	0	111.4	A64 S219 R224 L225	A64-T221 HydrophobicContact CB-CG2 4.17Å; S219-T221 PolarHBondContact O-N 2.85Å; S219-T221 VanDerWaalsContact O-N 3.1Å; T221-R224 PolarHBondContact OG1-NH2 3.35Å; T221-L225 PolarHBondContact O-N 2.94Å
222	A	97.2	Very high	96.8	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.6	-47.8	174.3	0	0	0	0	0	111.3	A64 V66 N216 S219 R224 L225 F226	A64-A222 PolarHBondContact O-N 3.01Å; V66-A222 HydrophobicContact CG2-CB 4.01Å; N216-A222 HydrophobicContact CB-CB 4.2Å; N216-A222 VanDerWaalsContact O-CB 3.24Å; N216-A222 WeakPolarHBondContact O-CB 3.27Å; S219-A222 PolarHBondContact O-N 2.92Å; A222-R224 VanDerWaalsContact C-N 3.32Å; A222-R224 PolarHBondContact O-N 3.38Å; A222-L225 WeakPolarHBondContact O-CB 3.28Å; A222-L225 PolarHBondContact O-N 3.33Å; A222-F226 HydrophobicContact CB-CE2 4.23Å; A222-F226 VanDerWaalsContact O-CD2 3.26Å; A222-F226 WeakPolarHBondContact O-CD2 3.4Å; A222-F226 WeakPolarHBondContact O-CG 3.5Å; A222-F226 PolarHBondContact O-N 3.21Å
223	V	96.4	Very high	96.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.3	-42	178.1	178.8	0	0	0	0	111.4	M128 L131 I132 D217 S219 L225 F226 C227	M128-V223 HydrophobicContact CB-CG1 4.18Å; M128-V223 HydrophobicContact CG-CB 4.31Å; M128-V223 HydrophobicContact CG-CG1 4.01Å; M128-V223 HydrophobicContact CG-CG2 4.36Å; M128-V223 HydrophobicContact SD-CB 4.25Å; M128-V223 HydrophobicContact SD-CG1 4.26Å; L131-V223 HydrophobicContact CD2-CG1 4.27Å; I132-V223 HydrophobicContact CD1-CG1 4.48Å; D217-V223 WeakPolarHBondContact O-CG2 3.34Å; S219-V223 WeakPolarHBondContact O-CG2 3.46Å; S219-V223 PolarHBondContact O-N 3.04Å; V223-L225 VanDerWaalsContact C-N 3.35Å; V223-L225 PolarHBondContact O-N 2.78Å; V223-F226 PolarHBondContact O-N 3.47Å; V223-C227 WeakPolarHBondContact O-CB 3.3Å; V223-C227 PolarHBondContact O-N 3.37Å; V223-C227 PolarHBondContact O-SG 3.31Å; V223-C227 VanDerWaalsContact O-SG 3.32Å
224	R	97	Very high	96.8	Very high	122 Å²	122	25.9 Å²	25.9	46%	0.46	14%	0.144	S	C	.	.	H	α-helix	trans	-59.5	-43.2	173	-82.3	-174.7	-69.2	-97.4	1.7	112.8	L131 P220 T221 A222 C227 A228	L131-R224 HydrophobicContact CD1-CG 4.12Å; L131-R224 HydrophobicContact CD2-CB 4.36Å; L131-R224 HydrophobicContact CD2-CG 3.43Å; L131-R224 VanDerWaalsContact CD2-CG 3.43Å; L131-R224 HydrophobicContact CG-CG 4.43Å; P220-R224 WeakPolarHBondContact O-CB 3.47Å; P220-R224 VanDerWaalsContact O-CG 3.3Å; P220-R224 WeakPolarHBondContact O-CG 3.42Å; P220-R224 PolarHBondContact O-N 3.06Å; P220-R224 PolarHBondContact O-NE 3.41Å; T221-R224 PolarHBondContact OG1-NH2 3.35Å; A222-R224 VanDerWaalsContact C-N 3.32Å; A222-R224 PolarHBondContact O-N 3.38Å; R224-C227 PolarHBondContact O-N 3.36Å; R224-A228 WeakPolarHBondContact O-CB 3.38Å; R224-A228 PolarHBondContact O-N 3.09Å
225	L	97.2	Very high	96.8	Very high	36 Å²	36	27.7 Å²	27.7	19%	0.188	16%	0.155	C	C	.	.	H	α-helix	trans	-61.3	-48	176.6	177.4	63.4	0	0	0	110.5	L61 A64 V66 T221 A222 V223 C227 A228 L229	L61-L225 HydrophobicContact CD2-CD2 3.92Å; A64-L225 HydrophobicContact CB-CB 4.09Å; A64-L225 HydrophobicContact CB-CD2 3.47Å; A64-L225 VanDerWaalsContact CB-CD2 3.47Å; A64-L225 HydrophobicContact CB-CG 4.39Å; V66-L225 HydrophobicContact CG2-CD2 4.31Å; T221-L225 PolarHBondContact O-N 2.94Å; A222-L225 WeakPolarHBondContact O-CB 3.28Å; A222-L225 PolarHBondContact O-N 3.33Å; V223-L225 VanDerWaalsContact C-N 3.35Å; V223-L225 PolarHBondContact O-N 2.78Å; L225-C227 PolarHBondContact O-N 2.98Å; L225-A228 PolarHBondContact O-N 3.06Å; L225-L229 HydrophobicContact CD1-CD1 4.14Å; L225-L229 HydrophobicContact CD1-CD2 4.45Å; L225-L229 HydrophobicContact CD1-CG 4.05Å; L225-L229 HydrophobicContact CG-CD1 3.94Å; L225-L229 HydrophobicContact CG-CG 4.28Å; L225-L229 VanDerWaalsContact O-CG 3.3Å; L225-L229 WeakPolarHBondContact O-CG 3.44Å; L225-L229 PolarHBondContact O-N 3.1Å
226	F	97.3	Very high	96.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.4	-48.1	177.8	-63.1	-41.3	0	0	0	112.2	V66 M102 L173 V199 N216 A222 V223 A228 L229 F230	V66-F226 HydrophobicContact CG1-CE1 4.35Å; V66-F226 HydrophobicContact CG1-CZ 3.82Å; V66-F226 HydrophobicContact CG2-CE1 4.35Å; V66-F226 HydrophobicContact CG2-CZ 4.05Å; M102-F226 HydrophobicContact CE-CD1 3.24Å; M102-F226 HydrophobicContact CE-CE1 3.22Å; M102-F226 HydrophobicContact CE-CG 4.46Å; M102-F226 HydrophobicContact CE-CZ 4.44Å; L173-F226 HydrophobicContact CD2-CB 3.81Å; V199-F226 HydrophobicContact CB-CE2 4.42Å; V199-F226 HydrophobicContact CG1-CD2 4.23Å; V199-F226 HydrophobicContact CG1-CE2 3.58Å; V199-F226 HydrophobicContact CG1-CZ 3.98Å; V199-F226 HydrophobicContact CG2-CD2 3.87Å; V199-F226 HydrophobicContact CG2-CE2 3.98Å; V199-F226 HydrophobicContact CG2-CG 4.17Å; V199-F226 HydrophobicContact CG2-CZ 4.37Å; N216-F226 WeakPolarHBondContact O-CE2 3.48Å; A222-F226 HydrophobicContact CB-CE2 4.23Å; A222-F226 VanDerWaalsContact O-CD2 3.26Å; A222-F226 WeakPolarHBondContact O-CD2 3.4Å; A222-F226 WeakPolarHBondContact O-CG 3.5Å; A222-F226 PolarHBondContact O-N 3.21Å; V223-F226 PolarHBondContact O-N 3.47Å; F226-A228 VanDerWaalsContact C-N 3.28Å; F226-A228 PolarHBondContact O-N 2.93Å; F226-L229 PolarHBondContact O-N 3.18Å; F226-F230 HydrophobicContact CB-CD2 4.45Å; F226-F230 HydrophobicContact CB-CE2 4.49Å; F226-F230 WeakPolarHBondContact O-CD2 3.49Å; F226-F230 PolarHBondContact O-N 3.27Å
227	C	97.1	Very high	96.7	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.02	17%	0.165	C	C	.	.	H	α-helix	trans	-53.8	-46.1	174.7	-73.5	0	0	0	0	111.8	T135 L173 V223 R224 L225 A231	T135-C227 HydrophobicContact CG2-CB 4.08Å; L173-C227 VanDerWaalsContact CD1-SG 3.55Å; V223-C227 WeakPolarHBondContact O-CB 3.3Å; V223-C227 PolarHBondContact O-N 3.37Å; V223-C227 PolarHBondContact O-SG 3.31Å; V223-C227 VanDerWaalsContact O-SG 3.32Å; R224-C227 PolarHBondContact O-N 3.36Å; L225-C227 PolarHBondContact O-N 2.98Å; C227-A231 WeakPolarHBondContact O-CB 3.16Å; C227-A231 PolarHBondContact O-N 3.04Å
228	A	97.3	Very high	96.8	Very high	58 Å²	58	33.2 Å²	33.2	48%	0.479	18%	0.176	S	C	.	.	H	α-helix	trans	-66	-43.3	179.8	0	0	0	0	0	112.8	R224 L225 F226 A231 E232	R224-A228 WeakPolarHBondContact O-CB 3.38Å; R224-A228 PolarHBondContact O-N 3.09Å; L225-A228 PolarHBondContact O-N 3.06Å; F226-A228 VanDerWaalsContact C-N 3.28Å; F226-A228 PolarHBondContact O-N 2.93Å; A228-A231 PolarHBondContact O-N 3.11Å; A228-E232 WeakPolarHBondContact O-CB 3.36Å; A228-E232 PolarHBondContact O-N 2.8Å
229	L	97.8	Very high	96.9	Very high	10 Å²	10	35.7 Å²	35.7	5%	0.052	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-48.1	178.3	-70	174.2	0	0	0	111.4	L55 V56 M102 L106 L225 F226 E232 A233	L55-L229 HydrophobicContact CD1-CD2 4.38Å; L55-L229 HydrophobicContact CD2-CD2 4.18Å; L55-L229 HydrophobicContact CG-CD2 3.71Å; L55-L229 WeakPolarHBondContact O-CD2 3.49Å; V56-L229 HydrophobicContact CG2-CD2 4.36Å; M102-L229 HydrophobicContact CE-CD1 4.17Å; M102-L229 HydrophobicContact CG-CD1 4.43Å; M102-L229 HydrophobicContact SD-CD1 4.46Å; L106-L229 HydrophobicContact CD1-CB 4.34Å; L106-L229 HydrophobicContact CD2-CB 4.08Å; L225-L229 HydrophobicContact CD1-CD1 4.14Å; L225-L229 HydrophobicContact CD1-CD2 4.45Å; L225-L229 HydrophobicContact CD1-CG 4.05Å; L225-L229 HydrophobicContact CG-CD1 3.94Å; L225-L229 HydrophobicContact CG-CG 4.28Å; L225-L229 VanDerWaalsContact O-CG 3.3Å; L225-L229 WeakPolarHBondContact O-CG 3.44Å; L225-L229 PolarHBondContact O-N 3.1Å; F226-L229 PolarHBondContact O-N 3.18Å; L229-E232 PolarHBondContact O-N 2.77Å; L229-A233 WeakPolarHBondContact O-CB 3.36Å; L229-A233 PolarHBondContact O-N 3.18Å
230	F	97.9	Very high	96.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.2	-39.7	177.5	-75.8	-65.4	0	0	0	112.2	M102 L106 A109 F121 L171 L173 I197 F226 A233 I234	M102-F230 HydrophobicContact SD-CZ 4.31Å; L106-F230 HydrophobicContact CD2-CD1 3.56Å; L106-F230 HydrophobicContact CD2-CE1 3.82Å; L106-F230 HydrophobicContact CD2-CG 4.08Å; A109-F230 HydrophobicContact CB-CD1 4.42Å; F121-F230 HydrophobicContact CE1-CB 4.18Å; F121-F230 HydrophobicContact CZ-CB 4.37Å; L171-F230 HydrophobicContact CD1-CB 4Å; L171-F230 HydrophobicContact CD1-CD1 3.41Å; L171-F230 VanDerWaalsContact CD1-CD1 3.41Å; L171-F230 HydrophobicContact CD1-CD2 3.74Å; L171-F230 HydrophobicContact CD1-CE1 3.7Å; L171-F230 HydrophobicContact CD1-CE2 4.01Å; L171-F230 HydrophobicContact CD1-CG 3.46Å; L171-F230 VanDerWaalsContact CD1-CG 3.46Å; L171-F230 HydrophobicContact CD1-CZ 4Å; L171-F230 HydrophobicContact CD2-CD2 4.11Å; L171-F230 HydrophobicContact CD2-CE2 4.02Å; L171-F230 HydrophobicContact CD2-CZ 4.47Å; L171-F230 HydrophobicContact CG-CD1 4.45Å; L171-F230 HydrophobicContact CG-CD2 4.36Å; L171-F230 HydrophobicContact CG-CE1 4.32Å; L171-F230 HydrophobicContact CG-CE2 4.23Å; L171-F230 HydrophobicContact CG-CG 4.49Å; L171-F230 HydrophobicContact CG-CZ 4.22Å; L173-F230 HydrophobicContact CD2-CD2 4.33Å; L173-F230 HydrophobicContact CD2-CE2 4.42Å; I197-F230 HydrophobicContact CD1-CE1 4.34Å; I197-F230 HydrophobicContact CG2-CE1 3.98Å; I197-F230 HydrophobicContact CG2-CZ 3.66Å; F226-F230 HydrophobicContact CB-CD2 4.45Å; F226-F230 HydrophobicContact CB-CE2 4.49Å; F226-F230 WeakPolarHBondContact O-CD2 3.49Å; F226-F230 PolarHBondContact O-N 3.27Å; F230-A233 PolarHBondContact O-N 3.26Å; F230-I234 WeakPolarHBondContact O-CB 3.17Å; F230-I234 WeakPolarHBondContact O-CD1 3.45Å; F230-I234 WeakPolarHBondContact O-CG1 3.45Å; F230-I234 PolarHBondContact O-N 3.38Å
231	A	97.8	Very high	96.8	Very high	20 Å²	20	34.4 Å²	34.4	17%	0.165	18%	0.175	C	C	.	.	H	α-helix	trans	-56.9	-51.8	174.8	0	0	0	0	0	111.5	T135 I139 C227 A228 A233 I234 T235	T135-A231 HydrophobicContact CG2-CB 4.09Å; I139-A231 VanDerWaalsContact CD1-CA 3.44Å; I139-A231 HydrophobicContact CD1-CB 3.53Å; I139-A231 HydrophobicContact CG1-CB 3.83Å; C227-A231 WeakPolarHBondContact O-CB 3.16Å; C227-A231 PolarHBondContact O-N 3.04Å; A228-A231 PolarHBondContact O-N 3.11Å; A231-A233 PolarHBondContact O-N 3.35Å; A231-I234 PolarHBondContact O-N 3.44Å; A231-T235 WeakPolarHBondContact O-CB 3.31Å; A231-T235 PolarHBondContact O-N 2.8Å; A231-T235 PolarHBondContact O-OG1 2.85Å
232	E	97.6	Very high	96.6	Very high	69 Å²	69	35.4 Å²	35.4	32%	0.322	18%	0.181	S	C	.	.	H	α-helix	trans	-63.2	-43.7	-179.1	-178.2	62.5	-167	0	0	111.7	L55 A228 L229 T235 R236	L55-E232 HydrophobicContact CD1-CB 4.3Å; L55-E232 HydrophobicContact CD1-CG 3.71Å; L55-E232 HydrophobicContact CD2-CB 4.14Å; L55-E232 HydrophobicContact CD2-CG 3.99Å; A228-E232 WeakPolarHBondContact O-CB 3.36Å; A228-E232 PolarHBondContact O-N 2.8Å; L229-E232 PolarHBondContact O-N 2.77Å; E232-T235 PolarHBondContact O-N 2.84Å; E232-R236 WeakPolarHBondContact O-CB 3.35Å; E232-R236 VanDerWaalsContact O-CG 3.3Å; E232-R236 WeakPolarHBondContact O-CG 3.31Å; E232-R236 PolarHBondContact O-N 3.3Å; E232-R236 IonicContact OE1-CZ 3.3Å; E232-R236 VanDerWaalsContact OE1-CZ 3.3Å; E232-R236 IonicContact OE1-NE 2.75Å; E232-R236 PolarHBondContact OE1-NE 3.07Å; E232-R236 IonicContact OE1-NH2 2.96Å; E232-R236 PolarHBondContact OE1-NH2 3.19Å
233	A	97.6	Very high	96.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-62.8	-45.3	178.4	0	0	0	0	0	112.5	L52 L106 L229 F230 A231 R236 G237	L52-A233 HydrophobicContact CD2-CB 3.95Å; L106-A233 HydrophobicContact CB-CB 4.12Å; L106-A233 HydrophobicContact CD2-CB 3.81Å; L106-A233 HydrophobicContact CG-CB 4.5Å; L229-A233 WeakPolarHBondContact O-CB 3.36Å; L229-A233 PolarHBondContact O-N 3.18Å; F230-A233 PolarHBondContact O-N 3.26Å; A231-A233 PolarHBondContact O-N 3.35Å; A233-R236 PolarHBondContact O-N 2.85Å; A233-G237 PolarHBondContact O-N 3.24Å
234	I	98	Very high	96.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.1	-43.9	178	-66.2	166.5	0	0	0	110.3	A109 A113 I119 F121 I139 E141 F230 A231 R236 G237 K238	A109-I234 HydrophobicContact CB-CG1 4.45Å; A113-I234 HydrophobicContact CB-CB 4.35Å; A113-I234 HydrophobicContact CB-CG2 3.8Å; I119-I234 HydrophobicContact CD1-CD1 3.74Å; I119-I234 HydrophobicContact CD1-CG1 3.79Å; I119-I234 HydrophobicContact CD1-CG2 4.25Å; I119-I234 HydrophobicContact CG2-CD1 4.33Å; F121-I234 HydrophobicContact CE2-CD1 4.05Å; F121-I234 HydrophobicContact CZ-CD1 3.7Å; I139-I234 HydrophobicContact CG2-CB 3.93Å; I139-I234 HydrophobicContact CG2-CG2 3.35Å; E141-I234 HydrophobicContact CG-CG2 4.18Å; F230-I234 WeakPolarHBondContact O-CB 3.17Å; F230-I234 WeakPolarHBondContact O-CD1 3.45Å; F230-I234 WeakPolarHBondContact O-CG1 3.45Å; F230-I234 PolarHBondContact O-N 3.38Å; A231-I234 PolarHBondContact O-N 3.44Å; I234-R236 VanDerWaalsContact C-N 3.33Å; I234-R236 PolarHBondContact O-N 3.35Å; I234-G237 PolarHBondContact O-N 3Å; I234-K238 HydrophobicContact CG2-CD 4.39Å; I234-K238 WeakPolarHBondContact O-CG 3.19Å; I234-K238 PolarHBondContact O-N 3.18Å
235	T	97.6	Very high	95.9	Very high	39 Å²	39	38.7 Å²	38.7	24%	0.239	20%	0.198	C	C	.	.	H	α-helix	trans	-60.2	-42	176.2	-65.3	0	0	0	0	111.7	A231 E232 K238 K239	A231-T235 WeakPolarHBondContact O-CB 3.31Å; A231-T235 PolarHBondContact O-N 2.8Å; A231-T235 PolarHBondContact O-OG1 2.85Å; E232-T235 PolarHBondContact O-N 2.84Å; T235-K238 PolarHBondContact O-N 2.95Å; T235-K239 HydrophobicContact CG2-CD 4.03Å; T235-K239 HydrophobicContact CG2-CG 4.43Å; T235-K239 WeakPolarHBondContact O-CB 3.5Å; T235-K239 VanDerWaalsContact O-CG 3.3Å; T235-K239 WeakPolarHBondContact O-CG 3.31Å; T235-K239 PolarHBondContact O-N 2.89Å
236	R	96.4	Very high	95.7	Very high	72 Å²	72	41.1 Å²	41.1	27%	0.272	21%	0.211	S	C	.	.	H	α-helix	trans	-63.4	-43	173.9	-74.1	-179.4	-171.6	-163.7	7.3	112	G51 E232 A233 I234 K239 T240	G51-R236 PolarHBondContact O-NH1 3.19Å; E232-R236 WeakPolarHBondContact O-CB 3.35Å; E232-R236 VanDerWaalsContact O-CG 3.3Å; E232-R236 WeakPolarHBondContact O-CG 3.31Å; E232-R236 PolarHBondContact O-N 3.3Å; E232-R236 IonicContact OE1-CZ 3.3Å; E232-R236 VanDerWaalsContact OE1-CZ 3.3Å; E232-R236 IonicContact OE1-NE 2.75Å; E232-R236 PolarHBondContact OE1-NE 3.07Å; E232-R236 IonicContact OE1-NH2 2.96Å; E232-R236 PolarHBondContact OE1-NH2 3.19Å; A233-R236 PolarHBondContact O-N 2.85Å; I234-R236 VanDerWaalsContact C-N 3.33Å; I234-R236 PolarHBondContact O-N 3.35Å; R236-K239 PolarHBondContact O-N 3.25Å; R236-T240 VanDerWaalsContact O-CB 3.3Å; R236-T240 WeakPolarHBondContact O-CB 3.47Å; R236-T240 PolarHBondContact O-N 2.79Å; R236-T240 PolarHBondContact O-OG1 3.28Å
237	G	96.1	Very high	95.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-56.3	-50.4	174.7	0	0	0	0	0	112.2	A233 I234 T240 A241	A233-G237 PolarHBondContact O-N 3.24Å; I234-G237 PolarHBondContact O-N 3Å; G237-T240 PolarHBondContact O-N 3.49Å; G237-A241 PolarHBondContact O-N 3.38Å
238	K	96.5	Very high	94.9	Very high	62 Å²	62	48.6 Å²	48.6	27%	0.27	25%	0.245	S	C	.	.	H	α-helix	trans	-61.1	-48.3	177.2	-69.4	-175.7	-179.6	-175.2	0	112.5	A113 I139 G140 E141 I234 T235 T240 A241 T242	A113-K238 HydrophobicContact CB-CG 4.28Å; I139-K238 PolarHBondContact O-NZ 2.91Å; G140-K238 PolarHBondContact O-NZ 2.85Å; G140-K238 VanDerWaalsContact O-NZ 3.16Å; E141-K238 WeakPolarHBondContact OE1-CE 3.27Å; E141-K238 IonicContact OE1-NZ 3.04Å; E141-K238 PolarHBondContact OE1-NZ 2.9Å; I234-K238 HydrophobicContact CG2-CD 4.39Å; I234-K238 WeakPolarHBondContact O-CG 3.19Å; I234-K238 PolarHBondContact O-N 3.18Å; T235-K238 PolarHBondContact O-N 2.95Å; K238-T240 VanDerWaalsContact C-N 3.29Å; K238-T240 PolarHBondContact O-N 3.42Å; K238-A241 WeakPolarHBondContact O-CB 3.4Å; K238-A241 PolarHBondContact O-N 3.18Å; K238-T242 PolarHBondContact O-N 3.01Å; K238-T242 VanDerWaalsContact O-N 3.07Å; K238-T242 PolarHBondContact O-OG1 3.1Å
239	K	95.7	Very high	94.6	Very high	139 Å²	139	49.6 Å²	49.6	60%	0.604	24%	0.24	S	C	*	.	H	α-helix	trans	-59.4	-41.4	178	-76.4	175.9	179	174.8	0	112	T235 R236 T242 R243	T235-K239 HydrophobicContact CG2-CD 4.03Å; T235-K239 HydrophobicContact CG2-CG 4.43Å; T235-K239 WeakPolarHBondContact O-CB 3.5Å; T235-K239 VanDerWaalsContact O-CG 3.3Å; T235-K239 WeakPolarHBondContact O-CG 3.31Å; T235-K239 PolarHBondContact O-N 2.89Å; R236-K239 PolarHBondContact O-N 3.25Å; K239-T242 PolarHBondContact O-N 3.13Å; K239-R243 WeakPolarHBondContact O-CB 3.38Å; K239-R243 PolarHBondContact O-N 2.67Å
240	T	93.6	Very high	94.2	Very high	18 Å²	18	53.7 Å²	53.7	11%	0.11	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-40.4	179.3	-54.5	0	0	0	0	110.9	Y49 F50 Y114 R236 G237 K238 R243 D244	Y49-T240 HydrophobicContact CD1-CG2 4.07Å; Y49-T240 HydrophobicContact CE1-CG2 3.45Å; Y49-T240 VanDerWaalsContact CE1-CG2 3.45Å; F50-T240 HydrophobicContact CD1-CG2 4.17Å; F50-T240 HydrophobicContact CE1-CG2 4.28Å; Y114-T240 HydrophobicContact CD2-CG2 4.32Å; Y114-T240 HydrophobicContact CE2-CG2 4.23Å; R236-T240 VanDerWaalsContact O-CB 3.3Å; R236-T240 WeakPolarHBondContact O-CB 3.47Å; R236-T240 PolarHBondContact O-N 2.79Å; R236-T240 PolarHBondContact O-OG1 3.28Å; G237-T240 PolarHBondContact O-N 3.49Å; K238-T240 VanDerWaalsContact C-N 3.29Å; K238-T240 PolarHBondContact O-N 3.42Å; T240-R243 PolarHBondContact O-N 2.57Å; T240-D244 WeakPolarHBondContact CG2-OD2 3.41Å; T240-D244 WeakPolarHBondContact O-CB 3.46Å; T240-D244 PolarHBondContact O-N 2.87Å
241	A	93.5	Very high	93.8	Very high	15 Å²	15	57.9 Å²	57.9	12%	0.124	28%	0.281	C	S	.	.	H	α-helix	trans	-60.5	-46.9	174.6	0	0	0	0	0	112.5	Y114 G237 K238 R243 D244 Q245	Y114-A241 HydrophobicContact CD2-CB 3.62Å; Y114-A241 VanDerWaalsContact CE2-CA 3.47Å; Y114-A241 HydrophobicContact CE2-CB 3.98Å; Y114-A241 HydrophobicContact CG-CB 4.15Å; Y114-A241 WeakPolarHBondContact O-CB 3.31Å; G237-A241 PolarHBondContact O-N 3.38Å; K238-A241 WeakPolarHBondContact O-CB 3.4Å; K238-A241 PolarHBondContact O-N 3.18Å; A241-R243 VanDerWaalsContact C-N 3.34Å; A241-R243 PolarHBondContact O-N 3.43Å; A241-D244 PolarHBondContact O-N 3Å; A241-Q245 WeakPolarHBondContact O-CB 3.18Å; A241-Q245 PolarHBondContact O-N 2.92Å
242	T	94	Very high	93.3	Very high	81 Å²	81	61.5 Å²	61.5	50%	0.497	30%	0.297	S	S	.	.	H	α-helix	trans	-61.6	-43.2	176.1	-52	0	0	0	0	111.5	K238 K239 L246	K238-T242 PolarHBondContact O-N 3.01Å; K238-T242 VanDerWaalsContact O-N 3.07Å; K238-T242 PolarHBondContact O-OG1 3.1Å; K239-T242 PolarHBondContact O-N 3.13Å; T242-L246 HydrophobicContact CG2-CD1 4.2Å; T242-L246 VanDerWaalsContact O-CG 3.32Å; T242-L246 WeakPolarHBondContact O-CG 3.36Å; T242-L246 PolarHBondContact O-N 3.45Å; T242-L246 VanDerWaalsContact O-N 3.08Å
243	R	92.8	Very high	93	Very high	88 Å²	88	66.6 Å²	66.6	33%	0.332	31%	0.313	S	S	.	.	H	α-helix	trans	-59.9	-50	177.3	-177.7	-174.7	64.4	65.5	7.1	111.5	Y49 K239 T240 A241 Q245 L246 L247	Y49-R243 PolarHBondContact OH-NH2 3.46Å; K239-R243 WeakPolarHBondContact O-CB 3.38Å; K239-R243 PolarHBondContact O-N 2.67Å; T240-R243 PolarHBondContact O-N 2.57Å; A241-R243 VanDerWaalsContact C-N 3.34Å; A241-R243 PolarHBondContact O-N 3.43Å; R243-Q245 VanDerWaalsContact C-N 3.35Å; R243-L246 PolarHBondContact O-N 3.04Å; R243-L247 HydrophobicContact CG-CD1 4.18Å; R243-L247 WeakPolarHBondContact O-CG 3.35Å; R243-L247 PolarHBondContact O-N 3.07Å
244	D	91.6	Very high	92.2	Very high	2 Å²	2	74.3 Å²	74.3	1%	0.011	35%	0.35	C	S	.	.	H	α-helix	trans	-68.3	-35.3	-176.8	-74.3	-24.7	0	0	0	112.1	Y39 Y49 Y114 T240 A241 L247 K248	Y39-D244 HydrophobicContact CD2-CB 4.17Å; Y39-D244 HydrophobicContact CE2-CB 3.98Å; Y49-D244 WeakPolarHBondContact CE1-OD2 3.47Å; Y49-D244 VanDerWaalsContact OH-CG 3.25Å; Y49-D244 PolarHBondContact OH-OD1 3.07Å; Y49-D244 PolarHBondContact OH-OD2 3.13Å; Y114-D244 HydrophobicContact CE2-CB 4.31Å; Y114-D244 WeakPolarHBondContact CE2-OD2 3.2Å; Y114-D244 PolarHBondContact OH-OD2 3.04Å; T240-D244 WeakPolarHBondContact CG2-OD2 3.41Å; T240-D244 WeakPolarHBondContact O-CB 3.46Å; T240-D244 PolarHBondContact O-N 2.87Å; A241-D244 PolarHBondContact O-N 3Å; D244-L247 PolarHBondContact O-N 3.38Å; D244-K248 WeakPolarHBondContact O-CB 3.15Å; D244-K248 PolarHBondContact O-N 3.18Å
245	Q	90.9	Very high	91	Very high	101 Å²	101	81 Å²	81	47%	0.472	40%	0.397	S	S	.	.	H	α-helix	trans	-61.7	-48	172.1	-176.8	178.6	-10.2	0	0	111.4	A241 R243 L247 K248 E249	A241-Q245 WeakPolarHBondContact O-CB 3.18Å; A241-Q245 PolarHBondContact O-N 2.92Å; R243-Q245 VanDerWaalsContact C-N 3.35Å; Q245-L247 PolarHBondContact O-N 3.16Å; Q245-K248 PolarHBondContact O-N 3.04Å; Q245-E249 WeakPolarHBondContact CG-OE1 3.36Å; Q245-E249 PolarHBondContact NE2-OE1 3.12Å; Q245-E249 VanDerWaalsContact NE2-OE1 3.13Å; Q245-E249 WeakPolarHBondContact O-CG 3.13Å; Q245-E249 PolarHBondContact O-N 2.63Å
246	L	91.9	Very high	90.7	Very high	86 Å²	86	83.2 Å²	83.2	45%	0.45	40%	0.404	S	S	.	.	H	α-helix	trans	-62.5	-41	178.5	-73.2	167.9	0	0	0	112.4	T242 R243 E249 Q250	T242-L246 HydrophobicContact CG2-CD1 4.2Å; T242-L246 VanDerWaalsContact O-CG 3.32Å; T242-L246 WeakPolarHBondContact O-CG 3.36Å; T242-L246 PolarHBondContact O-N 3.45Å; T242-L246 VanDerWaalsContact O-N 3.08Å; R243-L246 PolarHBondContact O-N 3.04Å; L246-E249 PolarHBondContact O-N 2.94Å; L246-Q250 VanDerWaalsContact O-CG 3.29Å; L246-Q250 WeakPolarHBondContact O-CG 3.31Å; L246-Q250 PolarHBondContact O-N 2.92Å
247	L	90.4	Very high	90.4	Very high	53 Å²	53	83.7 Å²	83.7	28%	0.277	41%	0.411	S	S	.	.	H	α-helix	trans	-64.1	-42.1	176.2	-74.4	172	0	0	0	111.5	R243 D244 Q245 Q250 L251	R243-L247 HydrophobicContact CG-CD1 4.18Å; R243-L247 WeakPolarHBondContact O-CG 3.35Å; R243-L247 PolarHBondContact O-N 3.07Å; D244-L247 PolarHBondContact O-N 3.38Å; Q245-L247 PolarHBondContact O-N 3.16Å; L247-Q250 WeakPolarHBondContact O-CB 3.26Å; L247-Q250 PolarHBondContact O-N 3.27Å; L247-Q250 VanDerWaalsContact O-N 3.14Å; L247-L251 WeakPolarHBondContact O-CG 3.42Å; L247-L251 PolarHBondContact O-N 3.17Å
248	K	88	Confident	90.1	Very high	108 Å²	108	88.4 Å²	88.4	47%	0.47	43%	0.434	S	S	.	.	H	α-helix	trans	-61.5	-46.3	176.1	-170.9	174.2	-178.1	175.4	0	111.5	D244 Q245 Q250 L251 D252	D244-K248 WeakPolarHBondContact O-CB 3.15Å; D244-K248 PolarHBondContact O-N 3.18Å; Q245-K248 PolarHBondContact O-N 3.04Å; K248-Q250 PolarHBondContact O-N 3.12Å; K248-L251 PolarHBondContact O-N 3.33Å; K248-L251 VanDerWaalsContact O-N 3.16Å; K248-D252 WeakPolarHBondContact O-CB 3.29Å; K248-D252 PolarHBondContact O-N 2.96Å
249	E	90.9	Very high	89.7	Confident	78 Å²	78	89.9 Å²	89.9	36%	0.364	44%	0.444	S	S	.	.	H	α-helix	trans	-62.4	-27.3	174.9	-70.1	170	-169.5	0	0	113.1	Q245 L246 R253	Q245-E249 WeakPolarHBondContact CG-OE1 3.36Å; Q245-E249 PolarHBondContact NE2-OE1 3.12Å; Q245-E249 VanDerWaalsContact NE2-OE1 3.13Å; Q245-E249 WeakPolarHBondContact O-CG 3.13Å; Q245-E249 PolarHBondContact O-N 2.63Å; L246-E249 PolarHBondContact O-N 2.94Å; E249-R253 VanDerWaalsContact O-CG 3.29Å; E249-R253 WeakPolarHBondContact O-CG 3.35Å; E249-R253 PolarHBondContact O-N 2.91Å; E249-R253 PolarHBondContact O-NE 2.82Å
250	Q	90.4	Very high	89.3	Confident	97 Å²	97	86.9 Å²	86.9	45%	0.453	43%	0.434	S	S	.	.	H	α-helix	trans	-75.9	-42	173.5	-74.5	173.1	-2.8	0	0	111.9	L246 L247 K248 R253 Q254	L246-Q250 VanDerWaalsContact O-CG 3.29Å; L246-Q250 WeakPolarHBondContact O-CG 3.31Å; L246-Q250 PolarHBondContact O-N 2.92Å; L247-Q250 WeakPolarHBondContact O-CB 3.26Å; L247-Q250 PolarHBondContact O-N 3.27Å; L247-Q250 VanDerWaalsContact O-N 3.14Å; K248-Q250 PolarHBondContact O-N 3.12Å; Q250-R253 PolarHBondContact O-N 3.28Å; Q250-Q254 WeakPolarHBondContact O-CG 3.41Å; Q250-Q254 PolarHBondContact O-N 3.18Å
251	L	87.5	Confident	89	Confident	88 Å²	88	91.5 Å²	91.5	46%	0.461	46%	0.455	S	S	.	.	H	α-helix	trans	-64.1	-45.4	176.5	-70.4	167.8	0	0	0	111.1	Y39 L247 K248 R253 Q254 S255	Y39-L251 HydrophobicContact CD1-CD1 4.32Å; L247-L251 WeakPolarHBondContact O-CG 3.42Å; L247-L251 PolarHBondContact O-N 3.17Å; K248-L251 PolarHBondContact O-N 3.33Å; K248-L251 VanDerWaalsContact O-N 3.16Å; L251-R253 PolarHBondContact O-N 3.27Å; L251-Q254 PolarHBondContact O-N 2.95Å; L251-S255 PolarHBondContact O-N 3.46Å; L251-S255 VanDerWaalsContact O-N 3.15Å; L251-S255 PolarHBondContact O-OG 3.18Å
252	D	88.4	Confident	88.7	Confident	95 Å²	95	96.9 Å²	96.9	51%	0.508	48%	0.479	S	S	.	.	H	α-helix	trans	-63.5	-23	178	-66.8	-14.7	0	0	0	112.5	K248 S255	K248-D252 WeakPolarHBondContact O-CB 3.29Å; K248-D252 PolarHBondContact O-N 2.96Å; D252-S255 PolarHBondContact O-OG 3.09Å
253	R	91	Very high	88.3	Confident	176 Å²	176	98.2 Å²	98.2	66%	0.664	48%	0.478	S	S	*	.	H	α-helix	trans	-83.2	-18.7	174	-81	-177.5	-74.3	-167.1	-6.3	113.6	E249 Q250 L251	E249-R253 VanDerWaalsContact O-CG 3.29Å; E249-R253 WeakPolarHBondContact O-CG 3.35Å; E249-R253 PolarHBondContact O-N 2.91Å; E249-R253 PolarHBondContact O-NE 2.82Å; Q250-R253 PolarHBondContact O-N 3.28Å; L251-R253 PolarHBondContact O-N 3.27Å
254	Q	81.8	Confident	87.9	Confident	163 Å²	163	99 Å²	99	76%	0.762	49%	0.49	S	S	*	.	H	α-helix	trans	-93.6	-23	179.8	-71.2	178.8	1.1	0	0	112.7	Q250 L251	Q250-Q254 WeakPolarHBondContact O-CG 3.41Å; Q250-Q254 PolarHBondContact O-N 3.18Å; L251-Q254 PolarHBondContact O-N 2.95Å
255	S	72.5	Confident	87.6	Confident	141 Å²	141	107.8 Å²	107.8	99%	0.986	53%	0.533	S	S	*	.			trans	-80.9	0	172.3	59.1	0	0	0	0	112.6	L251 D252	L251-S255 PolarHBondContact O-N 3.46Å; L251-S255 VanDerWaalsContact O-N 3.15Å; L251-S255 PolarHBondContact O-OG 3.18Å; D252-S255 PolarHBondContact O-OG 3.09Å

Retrieved 255 of 255 residues in 69 ms (Link to these results)

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