G4V926_SCHMA Loading...

proteasome endopeptidase complex

AlphaFold DB , UniProt , Accession G4V926, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 225 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	58.1	Low	57.7	Low	202 Å²	202	119.4 Å²	119.4	100%	0.995	63%	0.628	S	S	*	*				0	-52.2	0	-149	169.1	-172.9	0	0	111.7	S3 V4 L5	M1-S3 PolarHBondContact O-N 3.36Å; M1-V4 PolarHBondContact O-N 3.32Å; M1-L5 PolarHBondContact O-N 3.08Å
2	L	50.7	Low	56.8	Low	148 Å²	148	119 Å²	119	78%	0.775	63%	0.626	S	S	*	*	H	α-helix	trans	-58.4	-36.3	176.5	-87	118.6	0	0	0	115.3	V4 L5 N6	L2-V4 VanDerWaalsContact C-N 3.34Å; L2-V4 PolarHBondContact O-N 3Å; L2-L5 PolarHBondContact O-N 3.02Å; L2-N6 PolarHBondContact O-N 2.92Å
3	S	62.2	Low	55.9	Low	93 Å²	93	117 Å²	117	65%	0.65	62%	0.616	S	S	*	*	H	α-helix	trans	-65.9	-33	-179.8	54.2	0	0	0	0	113.8	M1 A7	M1-S3 PolarHBondContact O-N 3.36Å; S3-A7 PolarHBondContact O-N 3.48Å
4	V	65	Low	55.1	Low	87 Å²	87	115.3 Å²	115.3	53%	0.527	61%	0.608	S	S	.	*	H	α-helix	trans	-74.8	-36.2	179.5	-179.4	0	0	0	0	110.8	M1 L2 A7 N8	M1-V4 PolarHBondContact O-N 3.32Å; L2-V4 VanDerWaalsContact C-N 3.34Å; L2-V4 PolarHBondContact O-N 3Å; V4-A7 PolarHBondContact O-N 3.43Å; V4-N8 PolarHBondContact O-N 3.18Å
5	L	59.2	Low	54.6	Low	108 Å²	108	118.5 Å²	118.5	57%	0.565	62%	0.615	S	S	*	*	H	α-helix	trans	-62.5	-46.1	175.5	-120.3	122.4	0	0	0	111.4	M1 L2 A7 N8 Q9	M1-L5 PolarHBondContact O-N 3.08Å; L2-L5 PolarHBondContact O-N 3.02Å; L5-A7 VanDerWaalsContact C-N 3.34Å; L5-A7 PolarHBondContact O-N 3.22Å; L5-N8 PolarHBondContact O-N 3.32Å; L5-Q9 WeakPolarHBondContact O-CB 3.11Å; L5-Q9 PolarHBondContact O-N 3.41Å
6	N	62.8	Low	54	Low	111 Å²	111	116.5 Å²	116.5	59%	0.594	61%	0.61	S	S	*	*	H	α-helix	trans	-64.1	-37	177.4	-78.5	-4.3	0	0	0	112.8	L2 Q9 K10	L2-N6 PolarHBondContact O-N 2.92Å; N6-Q9 PolarHBondContact O-N 3.45Å; N6-K10 WeakPolarHBondContact O-CB 3.46Å; N6-K10 PolarHBondContact O-N 2.87Å
7	A	65.2	Low	53.6	Low	54 Å²	54	115.5 Å²	115.5	45%	0.446	61%	0.605	S	S	.	*	H	α-helix	trans	-67.4	-39.5	176.1	0	0	0	0	0	112.2	S3 V4 L5 K10 K11	S3-A7 PolarHBondContact O-N 3.48Å; V4-A7 PolarHBondContact O-N 3.43Å; L5-A7 VanDerWaalsContact C-N 3.34Å; L5-A7 PolarHBondContact O-N 3.22Å; A7-K10 PolarHBondContact O-N 3.2Å; A7-K11 WeakPolarHBondContact O-CB 3.36Å; A7-K11 PolarHBondContact O-N 2.69Å
8	N	62	Low	53	Low	103 Å²	103	116.8 Å²	116.8	55%	0.551	61%	0.613	S	S	*	*	H	α-helix	trans	-68.3	-38.8	175.2	-78.3	-14.4	0	0	0	112.1	V4 L5 K11 L12	V4-N8 PolarHBondContact O-N 3.18Å; L5-N8 PolarHBondContact O-N 3.32Å; N8-K11 PolarHBondContact O-N 2.83Å; N8-L12 VanDerWaalsContact O-CB 3.3Å; N8-L12 WeakPolarHBondContact O-CB 3.48Å; N8-L12 PolarHBondContact O-N 2.9Å
9	Q	48.6	Very low	52.6	Low	109 Å²	109	116.3 Å²	116.3	51%	0.509	62%	0.615	S	S	.	*	H	α-helix	trans	-65.6	-40.3	175.6	-156.4	120.6	10.6	0	0	111.6	L5 N6 L12 N13	L5-Q9 WeakPolarHBondContact O-CB 3.11Å; L5-Q9 PolarHBondContact O-N 3.41Å; N6-Q9 PolarHBondContact O-N 3.45Å; Q9-L12 PolarHBondContact O-N 3.49Å; Q9-N13 WeakPolarHBondContact O-CB 3.34Å; Q9-N13 VanDerWaalsContact O-CG 3.23Å; Q9-N13 PolarHBondContact O-N 3.47Å; Q9-N13 PolarHBondContact O-OD1 3.28Å
10	K	49.7	Very low	52.6	Low	148 Å²	148	117.1 Å²	117.1	64%	0.643	61%	0.613	S	S	*	*	H	α-helix	trans	-66.6	-42.8	176	-154.5	178.1	-174.9	-175	0	111.7	N6 A7 L12 N13 D14	N6-K10 WeakPolarHBondContact O-CB 3.46Å; N6-K10 PolarHBondContact O-N 2.87Å; A7-K10 PolarHBondContact O-N 3.2Å; K10-L12 VanDerWaalsContact C-N 3.33Å; K10-L12 PolarHBondContact O-N 3.01Å; K10-N13 PolarHBondContact O-N 3.3Å; K10-D14 WeakPolarHBondContact O-CB 3.25Å; K10-D14 PolarHBondContact O-N 3.44Å
11	K	51	Low	52.9	Low	150 Å²	150	114 Å²	114	65%	0.652	61%	0.61	S	S	*	*	H	α-helix	trans	-62.8	-37.3	172.3	-87.9	-172.7	174.5	-175.7	0	113	A7 N8 F15	A7-K11 WeakPolarHBondContact O-CB 3.36Å; A7-K11 PolarHBondContact O-N 2.69Å; N8-K11 PolarHBondContact O-N 2.83Å; K11-F15 WeakPolarHBondContact O-CB 3.04Å; K11-F15 PolarHBondContact O-N 3.04Å
12	L	47.4	Very low	53.2	Low	115 Å²	115	108.3 Å²	108.3	60%	0.602	58%	0.582	S	S	*	*	H	α-helix	trans	-67.3	-42.6	176.8	-164	74.8	0	0	0	110.6	N8 Q9 K10 F15 T16	N8-L12 VanDerWaalsContact O-CB 3.3Å; N8-L12 WeakPolarHBondContact O-CB 3.48Å; N8-L12 PolarHBondContact O-N 2.9Å; Q9-L12 PolarHBondContact O-N 3.49Å; K10-L12 VanDerWaalsContact C-N 3.33Å; K10-L12 PolarHBondContact O-N 3.01Å; L12-F15 PolarHBondContact O-N 3.4Å; L12-T16 WeakPolarHBondContact O-CG2 3.36Å; L12-T16 PolarHBondContact O-N 2.91Å; L12-T16 PolarHBondContact O-OG1 2.77Å
13	N	44.7	Very low	54	Low	93 Å²	93	104.1 Å²	104.1	50%	0.497	57%	0.565	S	S	.	*	H	α-helix	trans	-66.8	-40.1	176.1	-70.2	1.4	0	0	0	112.2	Q9 K10 F15 T16 D17	Q9-N13 WeakPolarHBondContact O-CB 3.34Å; Q9-N13 VanDerWaalsContact O-CG 3.23Å; Q9-N13 PolarHBondContact O-N 3.47Å; Q9-N13 PolarHBondContact O-OD1 3.28Å; K10-N13 PolarHBondContact O-N 3.3Å; N13-F15 VanDerWaalsContact C-N 3.35Å; N13-T16 WeakPolarHBondContact CA-OG1 3.34Å; N13-T16 PolarHBondContact O-N 3.07Å; N13-T16 PolarHBondContact O-OG1 3.09Å; N13-D17 PolarHBondContact O-N 3.19Å
14	D	45.5	Very low	53.8	Low	93 Å²	93	100 Å²	100	50%	0.497	54%	0.537	S	S	.	.	H	α-helix	trans	-64.4	-39.6	172.7	-77	-11.1	0	0	0	110.8	K10 T16 D17 D18	K10-D14 WeakPolarHBondContact O-CB 3.25Å; K10-D14 PolarHBondContact O-N 3.44Å; D14-T16 VanDerWaalsContact C-N 3.29Å; D14-T16 PolarHBondContact O-N 3.4Å; D14-D17 PolarHBondContact O-N 3.39Å; D14-D18 PolarHBondContact O-N 3.13Å
15	F	47	Very low	53.9	Low	163 Å²	163	96.1 Å²	96.1	72%	0.715	51%	0.514	S	S	*	.	H	α-helix	trans	-63.7	-33.5	174.7	-117.6	-90.5	0	0	0	112.6	K11 L12 N13	K11-F15 WeakPolarHBondContact O-CB 3.04Å; K11-F15 PolarHBondContact O-N 3.04Å; L12-F15 PolarHBondContact O-N 3.4Å; N13-F15 VanDerWaalsContact C-N 3.35Å
16	T	45.4	Very low	55.3	Low	87 Å²	87	91 Å²	91	53%	0.534	49%	0.487	S	S	.	.	H	α-helix	trans	-77.1	-29.5	174.5	53.1	0	0	0	0	113.1	L12 N13 D14 T19	L12-T16 WeakPolarHBondContact O-CG2 3.36Å; L12-T16 PolarHBondContact O-N 2.91Å; L12-T16 PolarHBondContact O-OG1 2.77Å; N13-T16 WeakPolarHBondContact CA-OG1 3.34Å; N13-T16 PolarHBondContact O-N 3.07Å; N13-T16 PolarHBondContact O-OG1 3.09Å; D14-T16 VanDerWaalsContact C-N 3.29Å; D14-T16 PolarHBondContact O-N 3.4Å; T16-T19 PolarHBondContact O-N 3Å; T16-T19 PolarHBondContact O-OG1 3.4Å
17	D	47	Very low	57	Low	99 Å²	99	85.7 Å²	85.7	53%	0.529	46%	0.459	S	S	.	.	H	α-helix	trans	-74.9	-29	175.9	-168.6	28.2	0	0	0	111.9	N13 D14 K20	N13-D17 PolarHBondContact O-N 3.19Å; D14-D17 PolarHBondContact O-N 3.39Å; D17-K20 WeakPolarHBondContact O-CE 3.31Å; D17-K20 WeakPolarHBondContact O-CG 3.47Å
18	D	43.2	Very low	58.6	Low	140 Å²	140	83.2 Å²	83.2	75%	0.749	44%	0.438	S	S	*	.	H	α-helix	trans	-78.8	-14.6	174.6	-92.3	-16.3	0	0	0	113.9	D14 K20	D14-D18 PolarHBondContact O-N 3.13Å; D18-K20 PolarHBondContact O-N 3.04Å
19	T	45.8	Very low	60.3	Low	106 Å²	106	78.3 Å²	78.3	65%	0.65	41%	0.412	S	S	*	.			trans	-77.9	52.5	164.5	54.8	0	0	0	0	110.9	T16 G21	T16-T19 PolarHBondContact O-N 3Å; T16-T19 PolarHBondContact O-OG1 3.4Å; T19-G21 PolarHBondContact O-N 2.7Å
20	K	52.6	Low	62.7	Low	132 Å²	132	73.1 Å²	73.1	57%	0.574	39%	0.387	S	S	*	.			trans	-64.5	102.6	170.7	-64.3	-167.5	176.9	170.5	0	107.3	D17 D18	D17-K20 WeakPolarHBondContact O-CE 3.31Å; D17-K20 WeakPolarHBondContact O-CG 3.47Å; D18-K20 PolarHBondContact O-N 3.04Å
21	G	58.4	Low	65	Low	53 Å²	53	66 Å²	66	55%	0.546	36%	0.357	S	S	.	.			trans	-50	159.1	175.7	0	0	0	0	0	111.4	T19 S23	T19-G21 PolarHBondContact O-N 2.7Å; G21-S23 PolarHBondContact O-N 3.39Å
22	I	63.5	Low	67.3	Low	82 Å²	82	60.7 Å²	60.7	42%	0.421	33%	0.334	S	S	.	.			trans	-60.4	106	179.8	-63.2	170.4	0	0	0	108.5	T45 V52 A74	I22-T45 HydrophobicContact CG2-CG2 3.42Å; I22-T45 VanDerWaalsContact CG2-CG2 3.42Å; I22-V52 HydrophobicContact CG2-CG2 4.13Å; I22-A74 HydrophobicContact CB-CB 4.48Å; I22-A74 HydrophobicContact CG2-CB 4.06Å; I22-A74 PolarHBondContact O-N 3.16Å
23	S	67.4	Low	69.7	Low	60 Å²	60	56.3 Å²	56.3	42%	0.42	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.7	179.2	-179.5	0	0	0	0	108.9	G21 G25 S46	G21-S23 PolarHBondContact O-N 3.39Å; S23-G25 PolarHBondContact O-N 2.89Å; S23-S46 PolarHBondContact N-O 2.97Å; S23-S46 PolarHBondContact O-N 3.39Å
24	T	59.4	Low	71.9	Confident	8 Å²	8	58.6 Å²	58.6	5%	0.049	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	94.1	171.7	72	0	0	0	0	107.1	T26 T45 S71 G72 A74	T24-T26 VanDerWaalsContact C-OG1 3.3Å; T24-T26 WeakPolarHBondContact CB-OG1 3.49Å; T24-T26 WeakPolarHBondContact O-CB 3.39Å; T24-T26 PolarHBondContact O-N 3.02Å; T24-T26 PolarHBondContact O-OG1 3.43Å; T24-T26 PolarHBondContact OG1-OG1 2.9Å; T24-T45 HydrophobicContact CG2-CG2 4.27Å; T24-S71 WeakPolarHBondContact OG1-CA 3.36Å; T24-G72 PolarHBondContact N-O 2.94Å; T24-G72 PolarHBondContact OG1-N 3.17Å; T24-G72 PolarHBondContact OG1-O 3.49Å; T24-G72 VanDerWaalsContact OG1-O 3.09Å; T24-A74 HydrophobicContact CG2-CB 3.96Å
25	G	66	Low	74.3	Confident	5 Å²	5	56.1 Å²	56.1	5%	0.052	32%	0.318	C	S	.	.			trans	-50.3	122	149	0	0	0	0	0	108.8	S23 K58 S194	S23-G25 PolarHBondContact O-N 2.89Å; G25-K58 PolarHBondContact O-NZ 2.99Å; G25-S194 CarbonylContact C-O 3.56Å; G25-S194 VanDerWaalsContact CA-O 3.29Å; G25-S194 WeakPolarHBondContact CA-O 3.39Å; G25-S194 VanDerWaalsContact O-O 3.06Å
26	T	89.7	Confident	76.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	29%	0.285	C	S	.	.			trans	-152.5	139.8	-161.6	-66.8	0	0	0	0	113.8	T24 L28 D42 K58 G154 S155 G156	T24-T26 VanDerWaalsContact C-OG1 3.3Å; T24-T26 WeakPolarHBondContact CB-OG1 3.49Å; T24-T26 WeakPolarHBondContact O-CB 3.39Å; T24-T26 PolarHBondContact O-N 3.02Å; T24-T26 PolarHBondContact O-OG1 3.43Å; T24-T26 PolarHBondContact OG1-OG1 2.9Å; T26-L28 HydrophobicContact CG2-CD1 4.43Å; T26-L28 HydrophobicContact CG2-CD2 3.22Å; T26-L28 HydrophobicContact CG2-CG 3.51Å; T26-D42 WeakPolarHBondContact CA-OD1 3.39Å; T26-K58 HydrophobicContact CG2-CD 3.67Å; T26-K58 PolarHBondContact OG1-NZ 3.48Å; T26-G154 CarbonylContact O-C 3.54Å; T26-G154 WeakPolarHBondContact O-CA 3.45Å; T26-S155 PolarHBondContact N-OG 2.75Å; T26-S155 VanDerWaalsContact N-OG 3.1Å; T26-S155 PolarHBondContact O-N 3.4Å; T26-S155 PolarHBondContact O-OG 2.79Å; T26-G156 PolarHBondContact O-N 3.2Å
27	T	97.3	Very high	79.2	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.259	C	S	.	.			trans	-110.9	119.2	157.3	-55.4	0	0	0	0	109	A41 D42 G156 V185 A188 S195	T27-A41 WeakPolarHBondContact O-CA 3.28Å; T27-A41 WeakPolarHBondContact O-CB 3.34Å; T27-D42 PolarHBondContact N-OD1 2.93Å; T27-D42 PolarHBondContact O-N 3.39Å; T27-G156 WeakPolarHBondContact OG1-CA 3.29Å; T27-V185 HydrophobicContact CG2-CB 4.5Å; T27-V185 HydrophobicContact CG2-CG1 4.39Å; T27-V185 HydrophobicContact CG2-CG2 4.31Å; T27-A188 HydrophobicContact CG2-CB 3.58Å; T27-A188 WeakPolarHBondContact OG1-CB 3.3Å; T27-S195 PolarHBondContact N-OG 3.22Å; T27-S195 PolarHBondContact OG1-OG 3.45Å
28	L	98.3	Very high	81.7	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	140.7	167.6	-52.5	-177.9	0	0	0	109	T26 A41 K58 C69 I124 I152 G153	T26-L28 HydrophobicContact CG2-CD1 4.43Å; T26-L28 HydrophobicContact CG2-CD2 3.22Å; T26-L28 HydrophobicContact CG2-CG 3.51Å; L28-A41 HydrophobicContact CD2-CB 3.79Å; L28-K58 HydrophobicContact CD2-CB 4.43Å; L28-C69 HydrophobicContact CB-CB 4.22Å; L28-C69 HydrophobicContact CD1-CB 3.73Å; L28-C69 HydrophobicContact CD2-CB 3.86Å; L28-C69 HydrophobicContact CG-CB 4.13Å; L28-I124 HydrophobicContact CB-CD1 3.68Å; L28-I124 HydrophobicContact CD1-CD1 4.24Å; L28-I124 HydrophobicContact CD1-CG1 4.31Å; L28-I152 WeakPolarHBondContact O-CA 3.27Å; L28-G153 PolarHBondContact N-O 2.87Å; L28-G153 PolarHBondContact O-N 3.23Å
29	F	98.7	Very high	84.4	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	125.5	-178.2	-154.5	-57.5	0	0	0	109.1	C31 I39 G40 I150 I152 V164 F180 V181 V185	F29-C31 HydrophobicContact CE1-CB 4.43Å; F29-I39 CarbonylContact O-C 3.47Å; F29-I39 WeakPolarHBondContact O-CA 3.28Å; F29-G40 PolarHBondContact N-O 3.36Å; F29-G40 PolarHBondContact O-N 3.39Å; F29-I150 HydrophobicContact CE1-CD1 3.7Å; F29-I150 HydrophobicContact CE1-CG1 4.28Å; F29-I150 HydrophobicContact CZ-CD1 4.05Å; F29-I152 HydrophobicContact CB-CG2 4.46Å; F29-I152 HydrophobicContact CD1-CG2 4.03Å; F29-I152 HydrophobicContact CD2-CG2 3.43Å; F29-I152 VanDerWaalsContact CD2-CG2 3.43Å; F29-I152 HydrophobicContact CE1-CG2 4.09Å; F29-I152 HydrophobicContact CE2-CG2 3.49Å; F29-I152 VanDerWaalsContact CE2-CG2 3.49Å; F29-I152 HydrophobicContact CG-CG2 3.72Å; F29-I152 HydrophobicContact CZ-CG2 3.86Å; F29-V164 HydrophobicContact CE1-CG2 4.46Å; F29-V164 HydrophobicContact CE2-CG2 3.76Å; F29-V164 HydrophobicContact CZ-CG2 3.48Å; F29-V164 VanDerWaalsContact CZ-CG2 3.48Å; F29-F180 HydrophobicContact CE1-CD1 4.15Å; F29-F180 HydrophobicContact CE1-CE1 4.04Å; F29-F180 HydrophobicContact CZ-CD1 4.25Å; F29-F180 AromaticContact CZ-CE1 3.91Å; F29-F180 HydrophobicContact CZ-CE1 3.91Å; F29-F180 HydrophobicContact CZ-CZ 4.4Å; F29-V181 HydrophobicContact CB-CG1 4.09Å; F29-V181 HydrophobicContact CD1-CB 4.29Å; F29-V181 HydrophobicContact CD1-CG1 4.14Å; F29-V181 HydrophobicContact CD1-CG2 3.85Å; F29-V181 HydrophobicContact CE1-CG2 4.14Å; F29-V181 HydrophobicContact CG-CG1 4.3Å; F29-V185 HydrophobicContact CB-CG2 3.85Å
30	A	98.8	Very high	86.9	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.2	176.8	0	0	0	0	0	109.4	V38 I39 I124 I136 I150 V151	A30-V38 CarbonylContact C-O 3.49Å; A30-V38 WeakPolarHBondContact CA-O 3.49Å; A30-I39 HydrophobicContact CB-CG2 3.73Å; A30-I124 HydrophobicContact CB-CG2 3.86Å; A30-I136 VanDerWaalsContact C-CD1 3.49Å; A30-I136 HydrophobicContact CB-CD1 3.79Å; A30-I136 HydrophobicContact CB-CG1 4.15Å; A30-I136 HydrophobicContact CB-CG2 3.67Å; A30-I150 WeakPolarHBondContact O-CA 3.04Å; A30-V151 PolarHBondContact N-O 2.93Å; A30-V151 PolarHBondContact O-N 3.02Å
31	C	98.7	Very high	89.1	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	135	179.4	-172	0	0	0	0	111.2	F29 V37 V38 I136 I150 C177 V181	F29-C31 HydrophobicContact CE1-CB 4.43Å; C31-V37 WeakPolarHBondContact O-CA 3.44Å; C31-V38 PolarHBondContact N-O 2.98Å; C31-V38 PolarHBondContact O-N 2.82Å; C31-I136 VanDerWaalsContact C-CD1 3.41Å; C31-I150 HydrophobicContact CB-CD1 4.34Å; C31-C177 PolarHBondContact O-SG 3.31Å; C31-V181 HydrophobicContact CB-CG2 3.79Å
32	E	98.4	Very high	91	Very high	37 Å²	37	19 Å²	19	17%	0.173	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	149.2	170.7	-85	157	-140	0	0	111.3	V37 I136 R147 P149	E32-V37 HydrophobicContact CG-CG1 3.68Å; E32-I136 HydrophobicContact CG-CD1 3.89Å; E32-I136 HydrophobicContact CG-CG1 4.19Å; E32-I136 PolarHBondContact OE1-N 2.98Å; E32-I136 VanDerWaalsContact OE1-N 3.08Å; E32-R147 IonicContact OE1-CZ 2.83Å; E32-R147 IonicContact OE1-NH1 3.64Å; E32-R147 PolarHBondContact OE1-NH1 2.89Å; E32-R147 IonicContact OE1-NH2 2.83Å; E32-R147 PolarHBondContact OE1-NH2 3.45Å; E32-R147 IonicContact OE2-CZ 3.47Å; E32-R147 IonicContact OE2-NH1 3.73Å; E32-R147 IonicContact OE2-NH2 3.5Å; E32-R147 PolarHBondContact OE2-NH2 2.9Å; E32-P149 PolarHBondContact N-O 3.4Å
33	Y	97.8	Very high	92.6	Very high	24 Å²	24	15.1 Å²	15.1	9%	0.094	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	168.5	167.7	72.6	-91	0	0	0	109.1	G35 G36 V38 M172 R174 C177 I203	Y33-G35 PolarHBondContact O-N 3.43Å; Y33-G36 VanDerWaalsContact CD1-C 3.47Å; Y33-G36 WeakPolarHBondContact CD1-O 3.25Å; Y33-G36 PolarHBondContact N-O 3.49Å; Y33-G36 PolarHBondContact O-N 3.07Å; Y33-G36 VanDerWaalsContact O-N 3.15Å; Y33-G36 VanDerWaalsContact O-O 3.06Å; Y33-V38 HydrophobicContact CD1-CG2 3.85Å; Y33-V38 HydrophobicContact CE1-CG2 3.93Å; Y33-M172 WeakPolarHBondContact CB-O 3.05Å; Y33-R174 HydrophobicContact CD2-CB 3.92Å; Y33-R174 HydrophobicContact CE2-CB 3.67Å; Y33-R174 HydrophobicContact CE2-CG 4.11Å; Y33-C177 HydrophobicContact CD1-CB 4.29Å; Y33-C177 HydrophobicContact CG-CB 4.24Å; Y33-I203 HydrophobicContact CE1-CG2 3.98Å
34	D	91.9	Very high	94	Very high	140 Å²	140	15.6 Å²	15.6	75%	0.749	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	102.1	177.4	-171.9	16.2	0	0	0	110.8	M172	D34-M172 PolarHBondContact N-O 3.24Å
35	G	94.4	Very high	95.6	Very high	41 Å²	41	15.5 Å²	15.5	42%	0.423	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	113.1	-6.2	-178.9	0	0	0	0	0	116.1	Y33 S205	Y33-G35 PolarHBondContact O-N 3.43Å; G35-S205 WeakPolarHBondContact O-CB 3.4Å
36	G	98.2	Very high	96.7	Very high	1 Å²	1	16 Å²	16	1%	0.01	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.4	-158.2	-178.8	0	0	0	0	0	115.9	Y33 I204	Y33-G36 VanDerWaalsContact CD1-C 3.47Å; Y33-G36 WeakPolarHBondContact CD1-O 3.25Å; Y33-G36 PolarHBondContact N-O 3.49Å; Y33-G36 PolarHBondContact O-N 3.07Å; Y33-G36 VanDerWaalsContact O-N 3.15Å; Y33-G36 VanDerWaalsContact O-O 3.06Å; G36-I204 CarbonylContact C-O 3.58Å; G36-I204 VanDerWaalsContact CA-O 3.25Å; G36-I204 WeakPolarHBondContact CA-O 3.27Å
37	V	98.8	Very high	96.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.8	177.7	-58.7	0	0	0	0	111.2	C31 E32 A126 I136 I204	C31-V37 WeakPolarHBondContact O-CA 3.44Å; E32-V37 HydrophobicContact CG-CG1 3.68Å; V37-A126 HydrophobicContact CG2-CB 4.11Å; V37-I136 HydrophobicContact CB-CG1 4.28Å; V37-I136 HydrophobicContact CG1-CD1 4.22Å; V37-I136 HydrophobicContact CG1-CG1 3.78Å; V37-I204 HydrophobicContact CG2-CB 3.74Å; V37-I204 HydrophobicContact CG2-CD1 4.05Å; V37-I204 HydrophobicContact CG2-CG1 4.25Å; V37-I204 PolarHBondContact N-O 3.12Å; V37-I204 PolarHBondContact O-N 3.32Å
38	V	98.9	Very high	95.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.3	165.6	-176.6	0	0	0	0	108	A30 C31 Y33 C177 V178 V181 A202 I203	A30-V38 CarbonylContact C-O 3.49Å; A30-V38 WeakPolarHBondContact CA-O 3.49Å; C31-V38 PolarHBondContact N-O 2.98Å; C31-V38 PolarHBondContact O-N 2.82Å; Y33-V38 HydrophobicContact CD1-CG2 3.85Å; Y33-V38 HydrophobicContact CE1-CG2 3.93Å; V38-C177 HydrophobicContact CG2-CB 4.08Å; V38-V178 HydrophobicContact CG1-CG2 4.34Å; V38-V178 HydrophobicContact CG2-CG2 3.87Å; V38-V181 HydrophobicContact CB-CG2 4Å; V38-V181 HydrophobicContact CG1-CB 3.97Å; V38-V181 HydrophobicContact CG1-CG1 4.15Å; V38-V181 HydrophobicContact CG1-CG2 3.9Å; V38-A202 WeakPolarHBondContact CA-O 3.44Å; V38-I203 HydrophobicContact CG2-CG1 4.25Å; V38-I203 HydrophobicContact CG2-CG2 4.28Å
39	I	98.8	Very high	95.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	146.9	170	60.6	179	0	0	0	110.4	F29 A30 L59 Y67 A126 L201 A202 I204	F29-I39 CarbonylContact O-C 3.47Å; F29-I39 WeakPolarHBondContact O-CA 3.28Å; A30-I39 HydrophobicContact CB-CG2 3.73Å; I39-L59 HydrophobicContact CD1-CD1 4.48Å; I39-L59 HydrophobicContact CD1-CD2 4.13Å; I39-L59 HydrophobicContact CG1-CD1 4.2Å; I39-L59 HydrophobicContact CG1-CD2 4.27Å; I39-Y67 HydrophobicContact CD1-CD1 4.32Å; I39-Y67 HydrophobicContact CD1-CG 4Å; I39-A126 HydrophobicContact CG2-CB 3.4Å; I39-L201 CarbonylContact O-C 3.53Å; I39-L201 WeakPolarHBondContact O-CA 3.5Å; I39-A202 HydrophobicContact CD1-CB 4.02Å; I39-A202 HydrophobicContact CG1-CB 3.66Å; I39-A202 PolarHBondContact N-O 3.3Å; I39-A202 PolarHBondContact O-N 3.43Å; I39-I204 HydrophobicContact CD1-CD1 4.02Å; I39-I204 HydrophobicContact CG1-CD1 4.42Å
40	G	98.8	Very high	95	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	145.4	-177.2	0	0	0	0	0	112.2	F29 R200 L201	F29-G40 PolarHBondContact N-O 3.36Å; F29-G40 PolarHBondContact O-N 3.39Å; G40-R200 CarbonylContact C-O 3.57Å; G40-R200 VanDerWaalsContact CA-O 3.24Å; G40-R200 WeakPolarHBondContact CA-O 3.28Å; G40-L201 VanDerWaalsContact CA-CD2 3.47Å
41	A	98.6	Very high	94.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	153.2	172.2	0	0	0	0	0	112	T27 L28 K58 L59 R200	T27-A41 WeakPolarHBondContact O-CA 3.28Å; T27-A41 WeakPolarHBondContact O-CB 3.34Å; L28-A41 HydrophobicContact CD2-CB 3.79Å; A41-K58 HydrophobicContact CB-CB 3.97Å; A41-K58 HydrophobicContact CB-CD 4.45Å; A41-L59 HydrophobicContact CB-CD2 3.88Å; A41-L59 HydrophobicContact CB-CG 4.33Å; A41-R200 PolarHBondContact N-O 3.34Å; A41-R200 PolarHBondContact O-N 2.91Å
42	D	98.2	Very high	94.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	171.2	161.9	86.3	-62	0	0	0	110.1	T26 T27 R44 K58 V185 I189 S195 G196 C198	T26-D42 WeakPolarHBondContact CA-OD1 3.39Å; T27-D42 PolarHBondContact N-OD1 2.93Å; T27-D42 PolarHBondContact O-N 3.39Å; D42-R44 PolarHBondContact OD2-N 3.39Å; D42-K58 VanDerWaalsContact CG-NZ 3.29Å; D42-K58 VanDerWaalsContact O-CD 3.28Å; D42-K58 WeakPolarHBondContact O-CD 3.18Å; D42-K58 VanDerWaalsContact O-CE 3.27Å; D42-K58 WeakPolarHBondContact O-CE 3.48Å; D42-K58 IonicContact OD1-NZ 3.65Å; D42-K58 PolarHBondContact OD1-NZ 2.93Å; D42-K58 IonicContact OD2-NZ 2.95Å; D42-K58 PolarHBondContact OD2-NZ 3.41Å; D42-V185 HydrophobicContact CB-CG1 4.09Å; D42-I189 HydrophobicContact CB-CD1 3.84Å; D42-I189 HydrophobicContact CB-CG1 3.85Å; D42-S195 VanDerWaalsContact OD2-CA 3.31Å; D42-S195 WeakPolarHBondContact OD2-CA 3.29Å; D42-G196 PolarHBondContact OD2-N 3.43Å; D42-C198 CarbonylContact C-O 3.06Å; D42-C198 WeakPolarHBondContact CA-O 3.43Å
43	S	97.3	Very high	94.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.243	C	C	.	.			trans	-123.7	5.2	-173.2	67.1	0	0	0	0	115	R54 V55 T56 G196 C198	S43-R54 CarbonylContact O-C 3.58Å; S43-R54 PolarHBondContact OG-O 3.41Å; S43-V55 PolarHBondContact O-N 2.9Å; S43-T56 WeakPolarHBondContact CA-O 3.29Å; S43-T56 WeakPolarHBondContact CB-O 3.26Å; S43-T56 WeakPolarHBondContact O-CB 3.29Å; S43-T56 PolarHBondContact O-N 3.3Å; S43-G196 PolarHBondContact N-O 3.19Å; S43-C198 VanDerWaalsContact CB-SG 3.54Å; S43-C198 PolarHBondContact N-O 3.38Å; S43-C198 PolarHBondContact OG-N 3.28Å; S43-C198 PolarHBondContact OG-O 3.46Å; S43-C198 PolarHBondContact OG-SG 3.05Å
44	R	96.3	Very high	93.9	Very high	71 Å²	71	49.5 Å²	49.5	27%	0.268	27%	0.272	S	S	.	.			trans	-68.2	140.5	174	-179.5	173.9	-70.5	177.4	6.3	110.5	D42 V51 N53 K58 G193 S194 S195 G196	D42-R44 PolarHBondContact OD2-N 3.39Å; R44-V51 HydrophobicContact CG-CG1 4.07Å; R44-V51 HydrophobicContact CG-CG2 4.29Å; R44-N53 CarbonylContact C-O 3.49Å; R44-N53 WeakPolarHBondContact CA-O 3.21Å; R44-K58 WeakPolarHBondContact O-CE 3.33Å; R44-K58 PolarHBondContact O-NZ 3.36Å; R44-G193 PolarHBondContact NH1-O 2.9Å; R44-S194 WeakPolarHBondContact CD-O 3.49Å; R44-S195 PolarHBondContact NH1-O 3.08Å; R44-G196 PolarHBondContact N-O 2.84Å
45	T	93.3	Very high	94.1	Very high	6 Å²	6	47 Å²	47	4%	0.037	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.3	165.7	-53.8	0	0	0	0	107.8	I22 T24 V52 N53 T56	I22-T45 HydrophobicContact CG2-CG2 3.42Å; I22-T45 VanDerWaalsContact CG2-CG2 3.42Å; T24-T45 HydrophobicContact CG2-CG2 4.27Å; T45-V52 HydrophobicContact CG2-CG2 3.76Å; T45-V52 VanDerWaalsContact O-CG2 3.29Å; T45-V52 WeakPolarHBondContact O-CG2 3.33Å; T45-V52 PolarHBondContact O-N 2.81Å; T45-N53 PolarHBondContact N-O 3.48Å; T45-N53 PolarHBondContact O-N 3.2Å; T45-T56 WeakPolarHBondContact OG1-CB 3.3Å; T45-T56 PolarHBondContact OG1-OG1 2.92Å
46	S	88.6	Confident	94.1	Very high	14 Å²	14	46.1 Å²	46.1	10%	0.098	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	158.2	-175.9	55.9	0	0	0	0	112.7	S23 Y50	S23-S46 PolarHBondContact N-O 2.97Å; S23-S46 PolarHBondContact O-N 3.39Å; S46-Y50 CarbonylContact C-O 3.14Å; S46-Y50 WeakPolarHBondContact CA-O 3.4Å; S46-Y50 VanDerWaalsContact CB-O 3.26Å; S46-Y50 WeakPolarHBondContact CB-O 3.46Å
47	S	86.9	Confident	94	Very high	48 Å²	48	48.9 Å²	48.9	34%	0.336	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	100.9	166.2	-173.7	0	0	0	0	106.3	T49 Y50	S47-T49 PolarHBondContact O-N 3.32Å; S47-Y50 PolarHBondContact N-O 3.46Å; S47-Y50 PolarHBondContact O-N 3.47Å; S47-Y50 VanDerWaalsContact O-N 3.12Å
48	G	85	Confident	93.9	Very high	56 Å²	56	49 Å²	49	58%	0.577	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	-124.2	-164.4	0	0	0	0	0	111.2
49	T	86.6	Confident	93.9	Very high	153 Å²	153	49.2 Å²	49.2	94%	0.939	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-12.8	179.2	56.8	0	0	0	0	113.7	S47	S47-T49 PolarHBondContact O-N 3.32Å
50	Y	90.4	Very high	93.9	Very high	163 Å²	163	50.6 Å²	50.6	64%	0.639	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	127.3	-178.1	178.4	-110.3	0	0	0	111	S46 S47 V52	S46-Y50 CarbonylContact C-O 3.14Å; S46-Y50 WeakPolarHBondContact CA-O 3.4Å; S46-Y50 VanDerWaalsContact CB-O 3.26Å; S46-Y50 WeakPolarHBondContact CB-O 3.46Å; S47-Y50 PolarHBondContact N-O 3.46Å; S47-Y50 PolarHBondContact O-N 3.47Å; S47-Y50 VanDerWaalsContact O-N 3.12Å; Y50-V52 HydrophobicContact CD1-CB 4.48Å; Y50-V52 HydrophobicContact CD1-CG1 3.54Å; Y50-V52 HydrophobicContact CE1-CB 4.37Å; Y50-V52 HydrophobicContact CE1-CG1 3.75Å; Y50-V52 PolarHBondContact O-N 2.76Å
51	V	92.8	Very high	93.9	Very high	39 Å²	39	54 Å²	54	24%	0.236	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	104	174.8	178.2	0	0	0	0	109.2	R44 N53 R54	R44-V51 HydrophobicContact CG-CG1 4.07Å; R44-V51 HydrophobicContact CG-CG2 4.29Å; V51-N53 WeakPolarHBondContact CG1-O 3.48Å; V51-R54 HydrophobicContact CG1-CG 3.72Å
52	V	92.1	Very high	93.9	Very high	59 Å²	59	54.1 Å²	54.1	36%	0.358	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	-30.8	-179.8	-63.6	0	0	0	0	112.4	I22 T45 Y50	I22-V52 HydrophobicContact CG2-CG2 4.13Å; T45-V52 HydrophobicContact CG2-CG2 3.76Å; T45-V52 VanDerWaalsContact O-CG2 3.29Å; T45-V52 WeakPolarHBondContact O-CG2 3.33Å; T45-V52 PolarHBondContact O-N 2.81Å; Y50-V52 HydrophobicContact CD1-CB 4.48Å; Y50-V52 HydrophobicContact CD1-CG1 3.54Å; Y50-V52 HydrophobicContact CE1-CB 4.37Å; Y50-V52 HydrophobicContact CE1-CG1 3.75Å; Y50-V52 PolarHBondContact O-N 2.76Å
53	N	93	Very high	93.8	Very high	63 Å²	63	54.8 Å²	54.8	34%	0.337	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	138.6	179.9	-164.6	-26.3	0	0	0	110.3	R44 T45 V51 V55 T56	R44-N53 CarbonylContact C-O 3.49Å; R44-N53 WeakPolarHBondContact CA-O 3.21Å; T45-N53 PolarHBondContact N-O 3.48Å; T45-N53 PolarHBondContact O-N 3.2Å; V51-N53 WeakPolarHBondContact CG1-O 3.48Å; N53-V55 WeakPolarHBondContact OD1-CG2 3.46Å; N53-V55 PolarHBondContact OD1-N 3.43Å; N53-T56 WeakPolarHBondContact CB-OG1 3.4Å; N53-T56 VanDerWaalsContact CG-OG1 3.25Å; N53-T56 PolarHBondContact ND2-OG1 2.97Å; N53-T56 PolarHBondContact OD1-N 2.87Å
54	R	94	Very high	93.8	Very high	185 Å²	185	61.9 Å²	61.9	70%	0.698	32%	0.324	S	S	*	.	S	Bend	trans	-107.4	-1.6	-179	-64.9	-175.5	179.1	-162.6	1.1	113.7	S43 V51 G197	S43-R54 CarbonylContact O-C 3.58Å; S43-R54 PolarHBondContact OG-O 3.41Å; V51-R54 HydrophobicContact CG1-CG 3.72Å; R54-G197 WeakPolarHBondContact O-CA 3.48Å
55	V	94.9	Very high	93.9	Very high	87 Å²	87	59.6 Å²	59.6	53%	0.527	32%	0.319	S	S	.	.	S	Bend	trans	-140.3	17.2	-169.9	-63.8	0	0	0	0	113.3	S43 N53 D57 R200	S43-V55 PolarHBondContact O-N 2.9Å; N53-V55 WeakPolarHBondContact OD1-CG2 3.46Å; N53-V55 PolarHBondContact OD1-N 3.43Å; V55-D57 PolarHBondContact O-N 3.16Å; V55-R200 PolarHBondContact O-NE 2.82Å; V55-R200 PolarHBondContact O-NH2 3.17Å
56	T	95.4	Very high	94.1	Very high	24 Å²	24	59.3 Å²	59.3	15%	0.147	32%	0.317	C	S	.	.			trans	-53.3	136.6	177.7	-61.6	0	0	0	0	110.9	S43 T45 N53 K58 R200	S43-T56 WeakPolarHBondContact CA-O 3.29Å; S43-T56 WeakPolarHBondContact CB-O 3.26Å; S43-T56 WeakPolarHBondContact O-CB 3.29Å; S43-T56 PolarHBondContact O-N 3.3Å; T45-T56 WeakPolarHBondContact OG1-CB 3.3Å; T45-T56 PolarHBondContact OG1-OG1 2.92Å; N53-T56 WeakPolarHBondContact CB-OG1 3.4Å; N53-T56 VanDerWaalsContact CG-OG1 3.25Å; N53-T56 PolarHBondContact ND2-OG1 2.97Å; N53-T56 PolarHBondContact OD1-N 2.87Å; T56-K58 HydrophobicContact CG2-CG 4.2Å; T56-R200 PolarHBondContact O-NE 2.98Å
57	D	96.2	Very high	94.6	Very high	59 Å²	59	59.6 Å²	59.6	32%	0.316	32%	0.316	S	S	.	.			trans	-89.8	108.7	169.1	-155.2	-21.3	0	0	0	110.1	V55 L59 R70 R200 R211	V55-D57 PolarHBondContact O-N 3.16Å; D57-L59 VanDerWaalsContact C-N 3.32Å; D57-L59 WeakPolarHBondContact OD1-CB 3.45Å; D57-L59 PolarHBondContact OD1-N 3.46Å; D57-R70 PolarHBondContact O-NH2 3.17Å; D57-R70 VanDerWaalsContact O-NH2 3.14Å; D57-R200 VanDerWaalsContact CG-CD 3.47Å; D57-R200 WeakPolarHBondContact OD1-CD 3.16Å; D57-R200 IonicContact OD2-CZ 2.6Å; D57-R200 IonicContact OD2-NH1 3.84Å; D57-R211 IonicContact OD1-NH2 3.44Å; D57-R211 PolarHBondContact OD1-NH2 2.98Å; D57-R211 IonicContact OD2-CZ 2.75Å; D57-R211 IonicContact OD2-NH2 3.55Å; D57-R211 PolarHBondContact OD2-NH2 3.43Å
58	K	96.8	Very high	95.2	Very high	1 Å²	1	57.3 Å²	57.3	0%	0.004	30%	0.301	C	S	.	.			trans	-89.4	-2.8	178	-56.8	-176.7	-167.9	174.7	0	112.4	G25 T26 L28 A41 D42 R44 T56 C69 R70	G25-K58 PolarHBondContact O-NZ 2.99Å; T26-K58 HydrophobicContact CG2-CD 3.67Å; T26-K58 PolarHBondContact OG1-NZ 3.48Å; L28-K58 HydrophobicContact CD2-CB 4.43Å; A41-K58 HydrophobicContact CB-CB 3.97Å; A41-K58 HydrophobicContact CB-CD 4.45Å; D42-K58 VanDerWaalsContact CG-NZ 3.29Å; D42-K58 VanDerWaalsContact O-CD 3.28Å; D42-K58 WeakPolarHBondContact O-CD 3.18Å; D42-K58 VanDerWaalsContact O-CE 3.27Å; D42-K58 WeakPolarHBondContact O-CE 3.48Å; D42-K58 IonicContact OD1-NZ 3.65Å; D42-K58 PolarHBondContact OD1-NZ 2.93Å; D42-K58 IonicContact OD2-NZ 2.95Å; D42-K58 PolarHBondContact OD2-NZ 3.41Å; R44-K58 WeakPolarHBondContact O-CE 3.33Å; R44-K58 PolarHBondContact O-NZ 3.36Å; T56-K58 HydrophobicContact CG2-CG 4.2Å; K58-C69 WeakPolarHBondContact O-CA 3.48Å; K58-R70 PolarHBondContact O-N 3.49Å
59	L	98.4	Very high	95.8	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.026	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	95.3	178	-51.8	-177.4	0	0	0	108.2	I39 A41 D57 Y67 C68 C69 R200 R211	I39-L59 HydrophobicContact CD1-CD1 4.48Å; I39-L59 HydrophobicContact CD1-CD2 4.13Å; I39-L59 HydrophobicContact CG1-CD1 4.2Å; I39-L59 HydrophobicContact CG1-CD2 4.27Å; A41-L59 HydrophobicContact CB-CD2 3.88Å; A41-L59 HydrophobicContact CB-CG 4.33Å; D57-L59 VanDerWaalsContact C-N 3.32Å; D57-L59 WeakPolarHBondContact OD1-CB 3.45Å; D57-L59 PolarHBondContact OD1-N 3.46Å; L59-Y67 HydrophobicContact CB-CD1 4.32Å; L59-C68 CarbonylContact C-O 3.43Å; L59-C68 WeakPolarHBondContact CA-O 3.34Å; L59-C69 HydrophobicContact CD2-CB 4.06Å; L59-C69 WeakPolarHBondContact CD2-SG 3.41Å; L59-R200 HydrophobicContact CD1-CB 4.1Å; L59-R200 WeakPolarHBondContact CD1-O 3.39Å; L59-R211 VanDerWaalsContact CB-NH1 3.35Å
60	T	98.2	Very high	96.3	Very high	30 Å²	30	47.9 Å²	47.9	18%	0.184	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	126.7	-178.1	-65.3	0	0	0	0	110.2	Y67 C68 R70 A81	T60-Y67 CarbonylContact O-C 3.57Å; T60-Y67 VanDerWaalsContact O-CA 3.29Å; T60-Y67 WeakPolarHBondContact O-CA 3.35Å; T60-C68 PolarHBondContact N-O 3.24Å; T60-C68 PolarHBondContact O-N 3.07Å; T60-R70 PolarHBondContact OG1-NE 3.11Å; T60-A81 HydrophobicContact CG2-CB 3.87Å
61	Q	98.4	Very high	96.5	Very high	71 Å²	71	40.5 Å²	40.5	33%	0.332	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	126.9	173.4	-171.9	174.6	28.5	0	0	110.3	T63 Y67	Q61-T63 WeakPolarHBondContact CG-O 3.14Å; Q61-T63 PolarHBondContact NE2-O 2.93Å; Q61-T63 VanDerWaalsContact NE2-O 3.07Å; Q61-Y67 HydrophobicContact CB-CD1 4.17Å; Q61-Y67 HydrophobicContact CB-CE1 3.65Å; Q61-Y67 HydrophobicContact CB-CE2 4.08Å; Q61-Y67 HydrophobicContact CG-CD2 4.38Å; Q61-Y67 HydrophobicContact CG-CE1 4.26Å; Q61-Y67 HydrophobicContact CG-CE2 3.76Å
62	L	98.6	Very high	96.6	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	20%	0.197	C	C	.	.			trans	-99.1	-43.5	174.3	-63.4	-176.5	0	0	0	111.6	I66 C68 A81 V84 L88 A104	L62-I66 HydrophobicContact CB-CG2 4.36Å; L62-I66 HydrophobicContact CD1-CG2 4.32Å; L62-I66 PolarHBondContact N-O 3.45Å; L62-C68 HydrophobicContact CD1-CB 3.89Å; L62-C68 HydrophobicContact CG-CB 4.2Å; L62-A81 HydrophobicContact CD2-CB 4.34Å; L62-V84 HydrophobicContact CD1-CG1 3.9Å; L62-V84 HydrophobicContact CD2-CB 4.42Å; L62-V84 HydrophobicContact CD2-CG1 4.12Å; L62-L88 HydrophobicContact CB-CD1 4.02Å; L62-L88 HydrophobicContact CD1-CD1 4.42Å; L62-A104 HydrophobicContact CD1-CB 4.38Å
63	T	97.4	Very high	96.6	Very high	14 Å²	14	37.5 Å²	37.5	9%	0.086	19%	0.188	C	C	.	.	S	Bend	trans	-138	-173.1	174.2	75.6	0	0	0	0	109.9	Q61 S65 I66 L88 P99	Q61-T63 WeakPolarHBondContact CG-O 3.14Å; Q61-T63 PolarHBondContact NE2-O 2.93Å; Q61-T63 VanDerWaalsContact NE2-O 3.07Å; T63-S65 PolarHBondContact O-N 3.08Å; T63-S65 PolarHBondContact OG1-N 3.15Å; T63-I66 HydrophobicContact CG2-CB 4.41Å; T63-I66 HydrophobicContact CG2-CD1 4.16Å; T63-I66 PolarHBondContact N-O 3.1Å; T63-I66 VanDerWaalsContact N-O 3.1Å; T63-I66 VanDerWaalsContact OG1-CB 3.3Å; T63-I66 WeakPolarHBondContact OG1-CB 3.36Å; T63-I66 VanDerWaalsContact OG1-CG1 3.3Å; T63-I66 WeakPolarHBondContact OG1-CG1 3.35Å; T63-I66 PolarHBondContact OG1-N 2.84Å; T63-L88 HydrophobicContact CG2-CB 4.1Å; T63-L88 HydrophobicContact CG2-CD1 3.91Å; T63-P99 HydrophobicContact CG2-CG 4.25Å
64	K	96.6	Very high	96.5	Very high	149 Å²	149	35.1 Å²	35.1	65%	0.648	18%	0.177	S	C	*	.	S	Bend	trans	-54.8	-38.2	176.7	-175.7	-177.5	174.3	-170.6	0	112.9	V209	K64-V209 WeakPolarHBondContact O-CG2 3.15Å
65	S	97.8	Very high	96.4	Very high	23 Å²	23	29.3 Å²	29.3	16%	0.161	17%	0.168	C	C	.	.	S	Bend	trans	-126	15.1	-172.5	-56.6	0	0	0	0	113.3	T63 G127 W128 I204	T63-S65 PolarHBondContact O-N 3.08Å; T63-S65 PolarHBondContact OG1-N 3.15Å; S65-G127 CarbonylContact O-C 3.57Å; S65-G127 WeakPolarHBondContact O-CA 3.35Å; S65-W128 WeakPolarHBondContact CB-O 3.34Å; S65-W128 PolarHBondContact O-N 3.42Å; S65-I204 VanDerWaalsContact O-CG2 3.26Å; S65-I204 WeakPolarHBondContact O-CG2 3.3Å
66	I	98.8	Very high	96.4	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	130.3	-179.9	-54.6	169.7	0	0	0	109.6	L62 T63 P99 T100 V101 A104 V125	L62-I66 HydrophobicContact CB-CG2 4.36Å; L62-I66 HydrophobicContact CD1-CG2 4.32Å; L62-I66 PolarHBondContact N-O 3.45Å; T63-I66 HydrophobicContact CG2-CB 4.41Å; T63-I66 HydrophobicContact CG2-CD1 4.16Å; T63-I66 PolarHBondContact N-O 3.1Å; T63-I66 VanDerWaalsContact N-O 3.1Å; T63-I66 VanDerWaalsContact OG1-CB 3.3Å; T63-I66 WeakPolarHBondContact OG1-CB 3.36Å; T63-I66 VanDerWaalsContact OG1-CG1 3.3Å; T63-I66 WeakPolarHBondContact OG1-CG1 3.35Å; T63-I66 PolarHBondContact OG1-N 2.84Å; I66-P99 WeakPolarHBondContact CD1-O 3.38Å; I66-T100 WeakPolarHBondContact CD1-O 3.43Å; I66-V101 HydrophobicContact CD1-CG2 4.44Å; I66-V101 HydrophobicContact CG1-CG2 4.18Å; I66-A104 HydrophobicContact CD1-CB 4.01Å; I66-A104 HydrophobicContact CG2-CB 3.76Å; I66-V125 HydrophobicContact CG2-CG1 3.8Å
67	Y	98.8	Very high	96.5	Very high	19 Å²	19	25.6 Å²	25.6	8%	0.075	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	155.5	176.7	-82.1	-110.4	0	0	0	110.3	I39 L59 T60 Q61 A126 I204 V209	I39-Y67 HydrophobicContact CD1-CD1 4.32Å; I39-Y67 HydrophobicContact CD1-CG 4Å; L59-Y67 HydrophobicContact CB-CD1 4.32Å; T60-Y67 CarbonylContact O-C 3.57Å; T60-Y67 VanDerWaalsContact O-CA 3.29Å; T60-Y67 WeakPolarHBondContact O-CA 3.35Å; Q61-Y67 HydrophobicContact CB-CD1 4.17Å; Q61-Y67 HydrophobicContact CB-CE1 3.65Å; Q61-Y67 HydrophobicContact CB-CE2 4.08Å; Q61-Y67 HydrophobicContact CG-CD2 4.38Å; Q61-Y67 HydrophobicContact CG-CE1 4.26Å; Q61-Y67 HydrophobicContact CG-CE2 3.76Å; Y67-A126 PolarHBondContact N-O 2.85Å; Y67-A126 PolarHBondContact O-N 2.9Å; Y67-I204 HydrophobicContact CD2-CD1 3.75Å; Y67-I204 HydrophobicContact CD2-CG1 4.47Å; Y67-I204 HydrophobicContact CG-CD1 4.15Å; Y67-V209 HydrophobicContact CE2-CB 4.4Å; Y67-V209 HydrophobicContact CE2-CG1 3.75Å; Y67-V209 HydrophobicContact CE2-CG2 3.99Å
68	C	98.6	Very high	96.4	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	143.4	163	74.6	0	0	0	0	111.9	L59 T60 L62 I123 I124 V125	L59-C68 CarbonylContact C-O 3.43Å; L59-C68 WeakPolarHBondContact CA-O 3.34Å; T60-C68 PolarHBondContact N-O 3.24Å; T60-C68 PolarHBondContact O-N 3.07Å; L62-C68 HydrophobicContact CD1-CB 3.89Å; L62-C68 HydrophobicContact CG-CB 4.2Å; C68-I123 HydrophobicContact CB-CG2 3.82Å; C68-I124 CarbonylContact C-O 3.59Å; C68-I124 WeakPolarHBondContact CA-O 3.35Å; C68-V125 HydrophobicContact CB-CG2 4.22Å
69	C	98.4	Very high	96.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.5	171.7	-50.3	0	0	0	0	108.3	L28 K58 L59 I123 I124	L28-C69 HydrophobicContact CB-CB 4.22Å; L28-C69 HydrophobicContact CD1-CB 3.73Å; L28-C69 HydrophobicContact CD2-CB 3.86Å; L28-C69 HydrophobicContact CG-CB 4.13Å; K58-C69 WeakPolarHBondContact O-CA 3.48Å; L59-C69 HydrophobicContact CD2-CB 4.06Å; L59-C69 WeakPolarHBondContact CD2-SG 3.41Å; C69-I123 WeakPolarHBondContact O-CA 3.19Å; C69-I124 HydrophobicContact CB-CB 4.02Å; C69-I124 PolarHBondContact N-O 3.48Å; C69-I124 PolarHBondContact O-N 2.97Å
70	R	97	Very high	96.3	Very high	10 Å²	10	29 Å²	29	4%	0.038	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	129.2	-169.4	-60.2	-176	-61.5	102.3	-0.2	112.7	D57 K58 T60 T77 I123	D57-R70 PolarHBondContact O-NH2 3.17Å; D57-R70 VanDerWaalsContact O-NH2 3.14Å; K58-R70 PolarHBondContact O-N 3.49Å; T60-R70 PolarHBondContact OG1-NE 3.11Å; R70-T77 HydrophobicContact CB-CG2 4.33Å; R70-T77 WeakPolarHBondContact CD-O 3.26Å; R70-T77 PolarHBondContact NH1-OG1 2.75Å; R70-I123 HydrophobicContact CB-CD1 4.35Å; R70-I123 HydrophobicContact CG-CD1 3.96Å
71	S	94.9	Very high	96.3	Very high	8 Å²	8	27.7 Å²	27.7	6%	0.056	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	155.8	170.6	61.3	0	0	0	0	112	T24 T77 G122	T24-S71 WeakPolarHBondContact OG1-CA 3.36Å; S71-T77 VanDerWaalsContact O-CG2 3.25Å; S71-T77 WeakPolarHBondContact O-CG2 3.34Å; S71-G122 PolarHBondContact N-O 3.25Å; S71-G122 PolarHBondContact O-N 3.37Å; S71-G122 PolarHBondContact OG-O 3.48Å
72	G	93.7	Very high	96.3	Very high	12 Å²	12	29.3 Å²	29.3	12%	0.124	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	106.7	-142.9	-173.5	0	0	0	0	0	112	T24 A74 V120	T24-G72 PolarHBondContact N-O 2.94Å; T24-G72 PolarHBondContact OG1-N 3.17Å; T24-G72 PolarHBondContact OG1-O 3.49Å; T24-G72 VanDerWaalsContact OG1-O 3.09Å; G72-A74 PolarHBondContact O-N 2.94Å; G72-V120 CarbonylContact C-O 3.58Å; G72-V120 WeakPolarHBondContact CA-O 3.33Å
73	S	93.4	Very high	96.3	Very high	23 Å²	23	33.7 Å²	33.7	16%	0.161	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	126.6	173.6	167.9	0	0	0	0	109.9	A75 D76 T77 V120	S73-A75 VanDerWaalsContact C-N 3.29Å; S73-A75 PolarHBondContact O-N 2.79Å; S73-D76 WeakPolarHBondContact CB-OD2 3Å; S73-D76 PolarHBondContact OG-N 3.14Å; S73-D76 PolarHBondContact OG-OD1 2.83Å; S73-D76 PolarHBondContact OG-OD2 2.78Å; S73-T77 WeakPolarHBondContact O-CG2 3.48Å; S73-T77 PolarHBondContact O-N 3.08Å; S73-T77 VanDerWaalsContact O-N 3.11Å; S73-T77 PolarHBondContact O-OG1 3.45Å; S73-V120 PolarHBondContact N-O 3.02Å
74	A	90.4	Very high	96.3	Very high	14 Å²	14	33 Å²	33	12%	0.116	19%	0.186	C	C	.	.	H	α-helix	trans	-61.7	-40.9	179.3	0	0	0	0	0	111.4	I22 T24 G72 T77 Q78	I22-A74 HydrophobicContact CB-CB 4.48Å; I22-A74 HydrophobicContact CG2-CB 4.06Å; I22-A74 PolarHBondContact O-N 3.16Å; T24-A74 HydrophobicContact CG2-CB 3.96Å; G72-A74 PolarHBondContact O-N 2.94Å; A74-T77 PolarHBondContact O-OG1 2.99Å; A74-Q78 WeakPolarHBondContact O-CB 3.29Å; A74-Q78 WeakPolarHBondContact O-CG 3.24Å; A74-Q78 PolarHBondContact O-N 3.29Å; A74-Q78 VanDerWaalsContact O-N 3.11Å; A74-Q78 PolarHBondContact O-OE1 2.81Å
75	A	93	Very high	96.4	Very high	62 Å²	62	31 Å²	31	51%	0.512	18%	0.175	S	C	.	.	H	α-helix	trans	-66.6	-48.9	-179.7	0	0	0	0	0	111.4	S73 T77 Q78 A79	S73-A75 VanDerWaalsContact C-N 3.29Å; S73-A75 PolarHBondContact O-N 2.79Å; A75-T77 PolarHBondContact O-N 2.83Å; A75-Q78 PolarHBondContact O-N 3Å; A75-A79 WeakPolarHBondContact O-CB 3.33Å; A75-A79 PolarHBondContact O-N 2.76Å
76	D	94.8	Very high	96.4	Very high	33 Å²	33	37.9 Å²	37.9	18%	0.176	20%	0.198	C	C	.	.	H	α-helix	trans	-60.6	-48.6	-177.4	-57	9.3	0	0	0	110.5	S73 Q78 A79 V80 L119 V120	S73-D76 WeakPolarHBondContact CB-OD2 3Å; S73-D76 PolarHBondContact OG-N 3.14Å; S73-D76 PolarHBondContact OG-OD1 2.83Å; S73-D76 PolarHBondContact OG-OD2 2.78Å; D76-Q78 VanDerWaalsContact C-N 3.34Å; D76-Q78 PolarHBondContact O-N 3.36Å; D76-A79 PolarHBondContact O-N 2.93Å; D76-V80 WeakPolarHBondContact O-CG2 3.43Å; D76-V80 PolarHBondContact O-N 2.92Å; D76-L119 HydrophobicContact CB-CB 4.38Å; D76-L119 HydrophobicContact CB-CD2 3.86Å; D76-L119 WeakPolarHBondContact OD2-CA 3.36Å; D76-V120 PolarHBondContact OD2-N 3.33Å
77	T	95.4	Very high	96.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-70.2	-30.1	-178.3	58.4	0	0	0	0	113.1	R70 S71 S73 A74 A75 A81 A121 I123	R70-T77 HydrophobicContact CB-CG2 4.33Å; R70-T77 WeakPolarHBondContact CD-O 3.26Å; R70-T77 PolarHBondContact NH1-OG1 2.75Å; S71-T77 VanDerWaalsContact O-CG2 3.25Å; S71-T77 WeakPolarHBondContact O-CG2 3.34Å; S73-T77 WeakPolarHBondContact O-CG2 3.48Å; S73-T77 PolarHBondContact O-N 3.08Å; S73-T77 VanDerWaalsContact O-N 3.11Å; S73-T77 PolarHBondContact O-OG1 3.45Å; A74-T77 PolarHBondContact O-OG1 2.99Å; A75-T77 PolarHBondContact O-N 2.83Å; T77-A81 WeakPolarHBondContact O-CB 3.45Å; T77-A81 PolarHBondContact O-N 2.83Å; T77-A81 VanDerWaalsContact O-N 3.08Å; T77-A121 HydrophobicContact CG2-CB 3.84Å; T77-I123 HydrophobicContact CG2-CD1 3.9Å
78	Q	95.2	Very high	96.3	Very high	95 Å²	95	41 Å²	41	44%	0.444	21%	0.213	S	C	.	.	H	α-helix	trans	-66.7	-48.8	171.7	-77.9	171.3	-20.4	0	0	110.7	A74 A75 D76 V80 A81 D82	A74-Q78 WeakPolarHBondContact O-CB 3.29Å; A74-Q78 WeakPolarHBondContact O-CG 3.24Å; A74-Q78 PolarHBondContact O-N 3.29Å; A74-Q78 VanDerWaalsContact O-N 3.11Å; A74-Q78 PolarHBondContact O-OE1 2.81Å; A75-Q78 PolarHBondContact O-N 3Å; D76-Q78 VanDerWaalsContact C-N 3.34Å; D76-Q78 PolarHBondContact O-N 3.36Å; Q78-V80 VanDerWaalsContact C-N 3.35Å; Q78-V80 PolarHBondContact O-N 3.41Å; Q78-A81 PolarHBondContact O-N 3.33Å; Q78-A81 VanDerWaalsContact O-N 3.15Å; Q78-D82 PolarHBondContact O-N 2.92Å
79	A	96.6	Very high	96.2	Very high	40 Å²	40	43.7 Å²	43.7	33%	0.331	23%	0.228	S	C	.	.	H	α-helix	trans	-58.5	-46	178.1	0	0	0	0	0	111.7	A75 D76 A81 D82 M83	A75-A79 WeakPolarHBondContact O-CB 3.33Å; A75-A79 PolarHBondContact O-N 2.76Å; D76-A79 PolarHBondContact O-N 2.93Å; A79-A81 PolarHBondContact O-N 3.11Å; A79-D82 PolarHBondContact O-N 2.87Å; A79-M83 WeakPolarHBondContact O-CB 3.29Å; A79-M83 WeakPolarHBondContact O-CG 3.42Å; A79-M83 PolarHBondContact O-N 3.01Å
80	V	97.1	Very high	96.2	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-59.6	-46.1	175.5	170.5	0	0	0	0	111.2	D76 Q78 D82 M83 V84 F111 L119	D76-V80 WeakPolarHBondContact O-CG2 3.43Å; D76-V80 PolarHBondContact O-N 2.92Å; Q78-V80 VanDerWaalsContact C-N 3.35Å; Q78-V80 PolarHBondContact O-N 3.41Å; V80-D82 VanDerWaalsContact C-N 3.34Å; V80-D82 PolarHBondContact O-N 3.3Å; V80-M83 PolarHBondContact O-N 3.11Å; V80-V84 HydrophobicContact CG1-CG2 4.18Å; V80-V84 WeakPolarHBondContact O-CB 3.44Å; V80-V84 WeakPolarHBondContact O-CG2 3.37Å; V80-V84 PolarHBondContact O-N 3.43Å; V80-F111 HydrophobicContact CG1-CB 4.16Å; V80-F111 HydrophobicContact CG2-CB 4.24Å; V80-L119 HydrophobicContact CG2-CD1 3.68Å
81	A	98.1	Very high	96.1	Very high	2 Å²	2	50.8 Å²	50.8	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-63.7	-40	-179.4	0	0	0	0	0	112.3	T60 L62 T77 Q78 A79 V84 R85	T60-A81 HydrophobicContact CG2-CB 3.87Å; L62-A81 HydrophobicContact CD2-CB 4.34Å; T77-A81 WeakPolarHBondContact O-CB 3.45Å; T77-A81 PolarHBondContact O-N 2.83Å; T77-A81 VanDerWaalsContact O-N 3.08Å; Q78-A81 PolarHBondContact O-N 3.33Å; Q78-A81 VanDerWaalsContact O-N 3.15Å; A79-A81 PolarHBondContact O-N 3.11Å; A81-V84 PolarHBondContact O-N 3.45Å; A81-R85 VanDerWaalsContact O-CB 3.29Å; A81-R85 WeakPolarHBondContact O-CB 3.45Å; A81-R85 PolarHBondContact O-N 2.82Å
82	D	98	Very high	96.1	Very high	104 Å²	104	54.5 Å²	54.5	56%	0.556	27%	0.273	S	S	*	.	H	α-helix	trans	-66.3	-42.8	177.7	-69.4	-18.6	0	0	0	111.6	Q78 A79 V80 R85 Y86	Q78-D82 PolarHBondContact O-N 2.92Å; A79-D82 PolarHBondContact O-N 2.87Å; V80-D82 VanDerWaalsContact C-N 3.34Å; V80-D82 PolarHBondContact O-N 3.3Å; D82-R85 PolarHBondContact O-N 2.81Å; D82-Y86 PolarHBondContact O-N 2.86Å
83	M	97.9	Very high	96.3	Very high	95 Å²	95	59.6 Å²	59.6	47%	0.468	30%	0.296	S	S	.	.	H	α-helix	trans	-63.3	-44.3	175.9	-69.6	171.7	-176.5	0	0	112.1	A79 V80 Y86 Q87 F111	A79-M83 WeakPolarHBondContact O-CB 3.29Å; A79-M83 WeakPolarHBondContact O-CG 3.42Å; A79-M83 PolarHBondContact O-N 3.01Å; V80-M83 PolarHBondContact O-N 3.11Å; M83-Y86 PolarHBondContact O-N 2.92Å; M83-Q87 WeakPolarHBondContact O-CG 3.15Å; M83-Q87 PolarHBondContact O-N 3.14Å; M83-F111 HydrophobicContact CB-CE1 4.13Å; M83-F111 HydrophobicContact CB-CE2 3.93Å; M83-F111 HydrophobicContact CB-CZ 3.69Å; M83-F111 HydrophobicContact CG-CZ 4.5Å; M83-F111 HydrophobicContact SD-CD1 4.1Å; M83-F111 HydrophobicContact SD-CE1 3.85Å; M83-F111 HydrophobicContact SD-CZ 4.38Å
84	V	98.4	Very high	96.4	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.2	-44.8	177.6	170.1	0	0	0	0	110.5	L62 V80 A81 Y86 Q87 L88 S107 C108 F111	L62-V84 HydrophobicContact CD1-CG1 3.9Å; L62-V84 HydrophobicContact CD2-CB 4.42Å; L62-V84 HydrophobicContact CD2-CG1 4.12Å; V80-V84 HydrophobicContact CG1-CG2 4.18Å; V80-V84 WeakPolarHBondContact O-CB 3.44Å; V80-V84 WeakPolarHBondContact O-CG2 3.37Å; V80-V84 PolarHBondContact O-N 3.43Å; A81-V84 PolarHBondContact O-N 3.45Å; V84-Y86 VanDerWaalsContact C-N 3.31Å; V84-Y86 PolarHBondContact O-N 3.03Å; V84-Q87 PolarHBondContact O-N 2.85Å; V84-L88 HydrophobicContact CG1-CD1 3.64Å; V84-L88 HydrophobicContact CG1-CG 4.16Å; V84-L88 WeakPolarHBondContact O-CB 3.38Å; V84-L88 VanDerWaalsContact O-CG 3.28Å; V84-L88 WeakPolarHBondContact O-CG 3.42Å; V84-L88 PolarHBondContact O-N 3.33Å; V84-S107 WeakPolarHBondContact CG2-OG 3.25Å; V84-C108 HydrophobicContact CG2-CB 4.45Å; V84-F111 HydrophobicContact CG2-CD2 3.69Å; V84-F111 HydrophobicContact CG2-CE2 3.93Å
85	R	98.2	Very high	96.6	Very high	107 Å²	107	68.6 Å²	68.6	40%	0.404	34%	0.335	S	S	.	.	H	α-helix	trans	-57.1	-46.2	176.7	-178.6	172.3	-176.2	160.5	3.4	111.4	A81 D82 L88 D89	A81-R85 VanDerWaalsContact O-CB 3.29Å; A81-R85 WeakPolarHBondContact O-CB 3.45Å; A81-R85 PolarHBondContact O-N 2.82Å; D82-R85 PolarHBondContact O-N 2.81Å; R85-L88 PolarHBondContact O-N 3.21Å; R85-D89 WeakPolarHBondContact O-CB 3.08Å; R85-D89 PolarHBondContact O-N 3.24Å
86	Y	97.8	Very high	96.8	Very high	167 Å²	167	72.8 Å²	72.8	66%	0.655	35%	0.348	S	S	*	.	H	α-helix	trans	-59.7	-46.4	175.8	176	-98.5	0	0	0	112.5	D82 M83 V84 L88 D89 F90	D82-Y86 PolarHBondContact O-N 2.86Å; M83-Y86 PolarHBondContact O-N 2.92Å; V84-Y86 VanDerWaalsContact C-N 3.31Å; V84-Y86 PolarHBondContact O-N 3.03Å; Y86-L88 VanDerWaalsContact C-N 3.33Å; Y86-L88 PolarHBondContact O-N 3.46Å; Y86-D89 PolarHBondContact O-N 3.27Å; Y86-F90 PolarHBondContact O-N 3.11Å
87	Q	97.5	Very high	96.8	Very high	78 Å²	78	75.2 Å²	75.2	36%	0.364	36%	0.355	S	S	.	.	H	α-helix	trans	-61.1	-41.5	177.1	-75.4	-173.1	-14.1	0	0	112.4	M83 V84 F90 H91 S107	M83-Q87 WeakPolarHBondContact O-CG 3.15Å; M83-Q87 PolarHBondContact O-N 3.14Å; V84-Q87 PolarHBondContact O-N 2.85Å; Q87-F90 PolarHBondContact O-N 2.78Å; Q87-H91 VanDerWaalsContact O-CB 3.31Å; Q87-H91 WeakPolarHBondContact O-CB 3.5Å; Q87-H91 PolarHBondContact O-N 2.6Å; Q87-S107 PolarHBondContact OE1-OG 2.85Å
88	L	98	Very high	96.9	Very high	6 Å²	6	79.8 Å²	79.8	3%	0.031	38%	0.376	C	S	.	.	H	α-helix	trans	-70.2	-38.1	179.8	-69.1	172.8	0	0	0	112.3	L62 T63 V84 R85 Y86 F90 H91 R92 P99 A104	L62-L88 HydrophobicContact CB-CD1 4.02Å; L62-L88 HydrophobicContact CD1-CD1 4.42Å; T63-L88 HydrophobicContact CG2-CB 4.1Å; T63-L88 HydrophobicContact CG2-CD1 3.91Å; V84-L88 HydrophobicContact CG1-CD1 3.64Å; V84-L88 HydrophobicContact CG1-CG 4.16Å; V84-L88 WeakPolarHBondContact O-CB 3.38Å; V84-L88 VanDerWaalsContact O-CG 3.28Å; V84-L88 WeakPolarHBondContact O-CG 3.42Å; V84-L88 PolarHBondContact O-N 3.33Å; R85-L88 PolarHBondContact O-N 3.21Å; Y86-L88 VanDerWaalsContact C-N 3.33Å; Y86-L88 PolarHBondContact O-N 3.46Å; L88-F90 VanDerWaalsContact C-N 3.34Å; L88-H91 PolarHBondContact O-N 2.8Å; L88-R92 VanDerWaalsContact O-CB 3.28Å; L88-R92 WeakPolarHBondContact O-CB 3.29Å; L88-R92 PolarHBondContact O-N 3.01Å; L88-P99 HydrophobicContact CB-CG 4.16Å; L88-P99 HydrophobicContact CD2-CB 3.73Å; L88-P99 HydrophobicContact CD2-CG 4.05Å; L88-A104 HydrophobicContact CD1-CB 3.61Å; L88-A104 HydrophobicContact CD2-CB 4.14Å
89	D	97.2	Very high	97	Very high	58 Å²	58	75.5 Å²	75.5	31%	0.31	36%	0.357	S	S	.	.	H	α-helix	trans	-63.3	-42	174	-87.1	-37.5	0	0	0	111.5	R85 Y86 R92 L93	R85-D89 WeakPolarHBondContact O-CB 3.08Å; R85-D89 PolarHBondContact O-N 3.24Å; Y86-D89 PolarHBondContact O-N 3.27Å; D89-R92 PolarHBondContact O-N 2.85Å; D89-R92 IonicContact OD1-NE 3.64Å; D89-R92 IonicContact OD1-NH2 3.22Å; D89-R92 PolarHBondContact OD1-NH2 2.89Å; D89-L93 WeakPolarHBondContact O-CG 3.35Å; D89-L93 PolarHBondContact O-N 2.85Å
90	F	97	Very high	97.1	Very high	104 Å²	104	74.1 Å²	74.1	46%	0.456	34%	0.344	S	S	.	.	H	α-helix	trans	-64	-48.2	174.4	-175.2	-102	0	0	0	111.7	Y86 Q87 L88 R92 L93 E94	Y86-F90 PolarHBondContact O-N 3.11Å; Q87-F90 PolarHBondContact O-N 2.78Å; L88-F90 VanDerWaalsContact C-N 3.34Å; F90-R92 VanDerWaalsContact C-N 3.29Å; F90-R92 PolarHBondContact O-N 2.76Å; F90-L93 WeakPolarHBondContact O-CB 3.25Å; F90-L93 PolarHBondContact O-N 3.27Å; F90-L93 VanDerWaalsContact O-N 3.08Å; F90-E94 HydrophobicContact CD1-CG 4.19Å; F90-E94 HydrophobicContact CE1-CG 3.79Å; F90-E94 WeakPolarHBondContact CE1-OE1 3.44Å; F90-E94 VanDerWaalsContact CE1-OE2 3.25Å; F90-E94 WeakPolarHBondContact CE1-OE2 3.16Å; F90-E94 HydrophobicContact CE2-CG 4.46Å; F90-E94 VanDerWaalsContact CZ-CD 3.47Å; F90-E94 HydrophobicContact CZ-CG 3.92Å; F90-E94 WeakPolarHBondContact CZ-OE1 3.37Å; F90-E94 PolarHBondContact O-N 3.37Å
91	H	94.7	Very high	97.2	Very high	55 Å²	55	74 Å²	74	26%	0.255	34%	0.343	S	S	.	.	H	α-helix	trans	-57.8	-41	177.5	-172.3	94	0	0	0	112.3	Q87 L88 L93 E94 M95 E103	Q87-H91 VanDerWaalsContact O-CB 3.31Å; Q87-H91 WeakPolarHBondContact O-CB 3.5Å; Q87-H91 PolarHBondContact O-N 2.6Å; L88-H91 PolarHBondContact O-N 2.8Å; H91-L93 VanDerWaalsContact C-N 3.31Å; H91-L93 PolarHBondContact O-N 2.83Å; H91-E94 PolarHBondContact O-N 2.91Å; H91-M95 WeakPolarHBondContact NE2-CG 3.36Å; H91-M95 WeakPolarHBondContact O-CB 3.34Å; H91-M95 WeakPolarHBondContact O-CG 3.33Å; H91-M95 PolarHBondContact O-N 3.42Å; H91-E103 IonicContact CE1-OE1 3.86Å; H91-E103 IonicContact NE2-OE1 2.75Å; H91-E103 PolarHBondContact NE2-OE1 3.03Å; H91-E103 IonicContact NE2-OE2 3.32Å
92	R	96.3	Very high	97.2	Very high	86 Å²	86	77.2 Å²	77.2	33%	0.325	36%	0.36	S	S	.	.	H	α-helix	trans	-60.2	-40.7	176.2	-177.1	175.3	64.4	81.1	3.3	112.2	L88 D89 F90 N96 R97 E98 P99	L88-R92 VanDerWaalsContact O-CB 3.28Å; L88-R92 WeakPolarHBondContact O-CB 3.29Å; L88-R92 PolarHBondContact O-N 3.01Å; D89-R92 PolarHBondContact O-N 2.85Å; D89-R92 IonicContact OD1-NE 3.64Å; D89-R92 IonicContact OD1-NH2 3.22Å; D89-R92 PolarHBondContact OD1-NH2 2.89Å; F90-R92 VanDerWaalsContact C-N 3.29Å; F90-R92 PolarHBondContact O-N 2.76Å; R92-N96 WeakPolarHBondContact O-CA 3.29Å; R92-N96 PolarHBondContact O-N 2.95Å; R92-R97 WeakPolarHBondContact CA-O 3.46Å; R92-R97 WeakPolarHBondContact CG-O 3.49Å; R92-R97 PolarHBondContact O-N 3.02Å; R92-E98 VanDerWaalsContact CD-OE1 3.3Å; R92-E98 WeakPolarHBondContact CD-OE1 3.34Å; R92-E98 WeakPolarHBondContact CD-OE2 3.16Å; R92-P99 HydrophobicContact CB-CG 4.16Å
93	L	96.6	Very high	97.2	Very high	119 Å²	119	74.7 Å²	74.7	62%	0.623	35%	0.345	S	S	*	.	H	α-helix	trans	-70.3	-42.1	178.2	-67.6	171.6	0	0	0	111.9	D89 F90 H91	D89-L93 WeakPolarHBondContact O-CG 3.35Å; D89-L93 PolarHBondContact O-N 2.85Å; F90-L93 WeakPolarHBondContact O-CB 3.25Å; F90-L93 PolarHBondContact O-N 3.27Å; F90-L93 VanDerWaalsContact O-N 3.08Å; H91-L93 VanDerWaalsContact C-N 3.31Å; H91-L93 PolarHBondContact O-N 2.83Å
94	E	96.4	Very high	97.2	Very high	127 Å²	127	70.2 Å²	70.2	59%	0.593	32%	0.323	S	S	*	.	H	α-helix	trans	-67.4	-44.1	178.7	-70.7	-168.1	136.3	0	0	112.6	F90 H91	F90-E94 HydrophobicContact CD1-CG 4.19Å; F90-E94 HydrophobicContact CE1-CG 3.79Å; F90-E94 WeakPolarHBondContact CE1-OE1 3.44Å; F90-E94 VanDerWaalsContact CE1-OE2 3.25Å; F90-E94 WeakPolarHBondContact CE1-OE2 3.16Å; F90-E94 HydrophobicContact CE2-CG 4.46Å; F90-E94 VanDerWaalsContact CZ-CD 3.47Å; F90-E94 HydrophobicContact CZ-CG 3.92Å; F90-E94 WeakPolarHBondContact CZ-OE1 3.37Å; F90-E94 PolarHBondContact O-N 3.37Å; H91-E94 PolarHBondContact O-N 2.91Å
95	M	95.3	Very high	97.3	Very high	99 Å²	99	70.2 Å²	70.2	49%	0.488	32%	0.323	S	S	.	.	H	α-helix	trans	-85.9	-10	-176.1	-61.4	-59.3	-69.5	0	0	113.2	H91 R97	H91-M95 WeakPolarHBondContact NE2-CG 3.36Å; H91-M95 WeakPolarHBondContact O-CB 3.34Å; H91-M95 WeakPolarHBondContact O-CG 3.33Å; H91-M95 PolarHBondContact O-N 3.42Å; M95-R97 HydrophobicContact CB-CG 3.93Å; M95-R97 PolarHBondContact O-N 3.15Å
96	N	95.5	Very high	97.3	Very high	150 Å²	150	68.6 Å²	68.6	80%	0.802	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	37.1	-175.3	-166.2	43	0	0	0	113.3	R92	R92-N96 WeakPolarHBondContact O-CA 3.29Å; R92-N96 PolarHBondContact O-N 2.95Å
97	R	95.8	Very high	97.3	Very high	84 Å²	84	61.2 Å²	61.2	32%	0.317	30%	0.298	S	S	.	.	S	Bend	trans	-150	159	174.1	63.5	160.4	179.2	79.1	0.1	110.2	R92 M95 E103	R92-R97 WeakPolarHBondContact CA-O 3.46Å; R92-R97 WeakPolarHBondContact CG-O 3.49Å; R92-R97 PolarHBondContact O-N 3.02Å; M95-R97 HydrophobicContact CB-CG 3.93Å; M95-R97 PolarHBondContact O-N 3.15Å; R97-E103 IonicContact CZ-OE1 3.27Å; R97-E103 IonicContact CZ-OE2 3.59Å; R97-E103 IonicContact NH1-OE1 3.59Å; R97-E103 IonicContact NH1-OE2 3.56Å; R97-E103 PolarHBondContact NH1-OE2 2.92Å; R97-E103 IonicContact NH2-OE1 3.98Å; R97-E103 PolarHBondContact NH2-OE1 3.01Å; R97-E103 IonicContact NH2-OE2 2.69Å
98	E	96.7	Very high	97.3	Very high	96 Å²	96	57.5 Å²	57.5	45%	0.449	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-63.3	141.8	171.8	-68.6	-62.7	149.8	0	0	111	R92	R92-E98 VanDerWaalsContact CD-OE1 3.3Å; R92-E98 WeakPolarHBondContact CD-OE1 3.34Å; R92-E98 WeakPolarHBondContact CD-OE2 3.16Å
99	P	97.8	Very high	97.3	Very high	5 Å²	5	61.1 Å²	61.1	3%	0.032	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-65.5	147	172.3	-20.1	33	0	0	0	111.6	T63 I66 L88 R92 E103	T63-P99 HydrophobicContact CG2-CG 4.25Å; I66-P99 WeakPolarHBondContact CD1-O 3.38Å; L88-P99 HydrophobicContact CB-CG 4.16Å; L88-P99 HydrophobicContact CD2-CB 3.73Å; L88-P99 HydrophobicContact CD2-CG 4.05Å; R92-P99 HydrophobicContact CB-CG 4.16Å; P99-E103 VanDerWaalsContact CA-OE2 3.27Å; P99-E103 WeakPolarHBondContact CA-OE2 3.33Å; P99-E103 HydrophobicContact CB-CB 4.44Å
100	T	98.3	Very high	97.3	Very high	11 Å²	11	63 Å²	63	7%	0.067	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-75.1	160.2	173.1	68.5	0	0	0	0	111.1	I66 L102 E103 A104 D129 E131	I66-T100 WeakPolarHBondContact CD1-O 3.43Å; T100-L102 PolarHBondContact O-N 3.33Å; T100-E103 PolarHBondContact N-OE2 2.85Å; T100-E103 PolarHBondContact O-N 3.42Å; T100-E103 VanDerWaalsContact OG1-CG 3.25Å; T100-E103 WeakPolarHBondContact OG1-CG 3.3Å; T100-E103 PolarHBondContact OG1-N 3.09Å; T100-E103 VanDerWaalsContact OG1-N 3.09Å; T100-E103 PolarHBondContact OG1-OE2 2.89Å; T100-A104 PolarHBondContact O-N 3.19Å; T100-A104 VanDerWaalsContact O-N 3.16Å; T100-D129 WeakPolarHBondContact CB-OD2 3.48Å; T100-E131 HydrophobicContact CG2-CG 4.34Å
101	V	98.8	Very high	97.3	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.9	-36.1	175.3	-172.6	0	0	0	0	110.4	I66 A104 A105 V125 G127 D129 Q135 Y137	I66-V101 HydrophobicContact CD1-CG2 4.44Å; I66-V101 HydrophobicContact CG1-CG2 4.18Å; V101-A104 PolarHBondContact O-N 2.75Å; V101-A105 WeakPolarHBondContact O-CB 3.48Å; V101-A105 PolarHBondContact O-N 2.88Å; V101-V125 HydrophobicContact CG1-CG1 4.23Å; V101-G127 VanDerWaalsContact CG2-C 3.43Å; V101-D129 HydrophobicContact CG2-CB 4.3Å; V101-D129 WeakPolarHBondContact CG2-OD2 3.4Å; V101-D129 PolarHBondContact N-OD2 3.34Å; V101-Q135 HydrophobicContact CB-CB 4.21Å; V101-Q135 HydrophobicContact CG1-CB 4.06Å; V101-Q135 HydrophobicContact CG2-CB 4.46Å; V101-Y137 HydrophobicContact CB-CE2 4.28Å; V101-Y137 HydrophobicContact CG1-CD2 3.89Å; V101-Y137 HydrophobicContact CG1-CE2 3.89Å
102	L	98.6	Very high	97.4	Very high	71 Å²	71	56.6 Å²	56.6	37%	0.372	27%	0.274	S	S	.	.	H	α-helix	trans	-65.7	-42.2	176.3	179.6	59.7	0	0	0	112	T100 A104 A105 V106 Y137 L145	T100-L102 PolarHBondContact O-N 3.33Å; L102-A104 VanDerWaalsContact C-N 3.34Å; L102-A104 PolarHBondContact O-N 2.83Å; L102-A105 PolarHBondContact O-N 3.05Å; L102-V106 HydrophobicContact CD1-CG2 4.01Å; L102-V106 HydrophobicContact CG-CG2 4.33Å; L102-V106 WeakPolarHBondContact O-CB 3.42Å; L102-V106 VanDerWaalsContact O-CG2 3.29Å; L102-V106 WeakPolarHBondContact O-CG2 3.42Å; L102-V106 PolarHBondContact O-N 2.91Å; L102-Y137 HydrophobicContact CB-CE2 4.4Å; L102-Y137 HydrophobicContact CD1-CD1 4.41Å; L102-Y137 HydrophobicContact CD1-CE1 3.62Å; L102-L145 HydrophobicContact CD1-CD2 4.35Å
103	E	98.3	Very high	97.4	Very high	51 Å²	51	57.9 Å²	57.9	24%	0.238	28%	0.28	C	S	.	.	H	α-helix	trans	-59.4	-44.9	176.3	-76.7	168.4	157.8	0	0	111.5	H91 R97 P99 T100 V106 S107	H91-E103 IonicContact CE1-OE1 3.86Å; H91-E103 IonicContact NE2-OE1 2.75Å; H91-E103 PolarHBondContact NE2-OE1 3.03Å; H91-E103 IonicContact NE2-OE2 3.32Å; R97-E103 IonicContact CZ-OE1 3.27Å; R97-E103 IonicContact CZ-OE2 3.59Å; R97-E103 IonicContact NH1-OE1 3.59Å; R97-E103 IonicContact NH1-OE2 3.56Å; R97-E103 PolarHBondContact NH1-OE2 2.92Å; R97-E103 IonicContact NH2-OE1 3.98Å; R97-E103 PolarHBondContact NH2-OE1 3.01Å; R97-E103 IonicContact NH2-OE2 2.69Å; P99-E103 VanDerWaalsContact CA-OE2 3.27Å; P99-E103 WeakPolarHBondContact CA-OE2 3.33Å; P99-E103 HydrophobicContact CB-CB 4.44Å; T100-E103 PolarHBondContact N-OE2 2.85Å; T100-E103 PolarHBondContact O-N 3.42Å; T100-E103 VanDerWaalsContact OG1-CG 3.25Å; T100-E103 WeakPolarHBondContact OG1-CG 3.3Å; T100-E103 PolarHBondContact OG1-N 3.09Å; T100-E103 VanDerWaalsContact OG1-N 3.09Å; T100-E103 PolarHBondContact OG1-OE2 2.89Å; E103-V106 PolarHBondContact O-N 2.85Å; E103-S107 PolarHBondContact O-N 3.42Å
104	A	98.7	Very high	97.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.4	-44.2	173.8	0	0	0	0	0	112.4	L62 I66 L88 T100 V101 L102 V106 S107 C108 V125	L62-A104 HydrophobicContact CD1-CB 4.38Å; I66-A104 HydrophobicContact CD1-CB 4.01Å; I66-A104 HydrophobicContact CG2-CB 3.76Å; L88-A104 HydrophobicContact CD1-CB 3.61Å; L88-A104 HydrophobicContact CD2-CB 4.14Å; T100-A104 PolarHBondContact O-N 3.19Å; T100-A104 VanDerWaalsContact O-N 3.16Å; V101-A104 PolarHBondContact O-N 2.75Å; L102-A104 VanDerWaalsContact C-N 3.34Å; L102-A104 PolarHBondContact O-N 2.83Å; A104-V106 PolarHBondContact O-N 2.72Å; A104-S107 PolarHBondContact O-N 3.45Å; A104-C108 PolarHBondContact O-N 3.01Å; A104-V125 HydrophobicContact CB-CG1 4.11Å
105	A	98.7	Very high	97.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.2	-37.1	179.7	0	0	0	0	0	112.6	V101 L102 C108 K109 V125 Y137 L145	V101-A105 WeakPolarHBondContact O-CB 3.48Å; V101-A105 PolarHBondContact O-N 2.88Å; L102-A105 PolarHBondContact O-N 3.05Å; A105-C108 PolarHBondContact O-N 3.06Å; A105-K109 WeakPolarHBondContact O-CB 3.33Å; A105-K109 PolarHBondContact O-N 3.27Å; A105-V125 HydrophobicContact CB-CB 4.03Å; A105-V125 HydrophobicContact CB-CG1 4.11Å; A105-V125 HydrophobicContact CB-CG2 4.38Å; A105-Y137 HydrophobicContact CB-CD1 4.23Å; A105-Y137 HydrophobicContact CB-CD2 3.78Å; A105-Y137 HydrophobicContact CB-CG 3.61Å; A105-L145 HydrophobicContact CB-CD1 3.81Å
106	V	98.5	Very high	97.2	Very high	73 Å²	73	56.2 Å²	56.2	44%	0.442	26%	0.262	S	S	.	.	H	α-helix	trans	-66.2	-40.1	174.1	169.2	0	0	0	0	111.2	L102 E103 A104 K109 H110 L145	L102-V106 HydrophobicContact CD1-CG2 4.01Å; L102-V106 HydrophobicContact CG-CG2 4.33Å; L102-V106 WeakPolarHBondContact O-CB 3.42Å; L102-V106 VanDerWaalsContact O-CG2 3.29Å; L102-V106 WeakPolarHBondContact O-CG2 3.42Å; L102-V106 PolarHBondContact O-N 2.91Å; E103-V106 PolarHBondContact O-N 2.85Å; A104-V106 PolarHBondContact O-N 2.72Å; V106-K109 WeakPolarHBondContact O-CB 3.42Å; V106-K109 PolarHBondContact O-N 3.46Å; V106-H110 WeakPolarHBondContact O-CB 3.16Å; V106-H110 PolarHBondContact O-N 2.84Å; V106-L145 HydrophobicContact CG2-CD2 4Å
107	S	98.1	Very high	97.1	Very high	12 Å²	12	55.6 Å²	55.6	8%	0.084	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-47.2	174	176.8	0	0	0	0	111.4	V84 Q87 E103 A104 K109 H110 F111	V84-S107 WeakPolarHBondContact CG2-OG 3.25Å; Q87-S107 PolarHBondContact OE1-OG 2.85Å; E103-S107 PolarHBondContact O-N 3.42Å; A104-S107 PolarHBondContact O-N 3.45Å; S107-K109 PolarHBondContact O-N 3.35Å; S107-H110 WeakPolarHBondContact O-CB 3.34Å; S107-H110 PolarHBondContact O-N 3.44Å; S107-F111 VanDerWaalsContact O-CD2 3.28Å; S107-F111 WeakPolarHBondContact O-CD2 3.38Å; S107-F111 PolarHBondContact O-N 2.91Å
108	C	98.2	Very high	97	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.007	28%	0.276	C	S	.	.	H	α-helix	trans	-57.8	-46.8	173.4	-73.7	0	0	0	0	112.3	V84 A104 A105 H110 F111 C112 I123 V125 I139	V84-C108 HydrophobicContact CG2-CB 4.45Å; A104-C108 PolarHBondContact O-N 3.01Å; A105-C108 PolarHBondContact O-N 3.06Å; C108-H110 VanDerWaalsContact C-N 3.29Å; C108-H110 PolarHBondContact O-N 3.5Å; C108-F111 PolarHBondContact O-N 2.89Å; C108-C112 WeakPolarHBondContact O-CB 3.47Å; C108-C112 PolarHBondContact O-N 3.26Å; C108-C112 PolarHBondContact O-SG 2.61Å; C108-I123 HydrophobicContact CB-CG2 4.42Å; C108-V125 HydrophobicContact CB-CG2 4.01Å; C108-V125 VanDerWaalsContact SG-CG2 3.56Å; C108-I139 HydrophobicContact CB-CD1 3.96Å
109	K	98.2	Very high	96.8	Very high	82 Å²	82	55 Å²	55	36%	0.357	27%	0.265	S	S	.	.	H	α-helix	trans	-56.3	-44.3	176.8	-177.4	-153.3	-178.9	177	0	111.2	A105 V106 S107 F111 C112 Y113 G143 L145	A105-K109 WeakPolarHBondContact O-CB 3.33Å; A105-K109 PolarHBondContact O-N 3.27Å; V106-K109 WeakPolarHBondContact O-CB 3.42Å; V106-K109 PolarHBondContact O-N 3.46Å; S107-K109 PolarHBondContact O-N 3.35Å; K109-F111 PolarHBondContact O-N 3.12Å; K109-C112 PolarHBondContact O-N 2.83Å; K109-Y113 WeakPolarHBondContact O-CB 3.34Å; K109-Y113 PolarHBondContact O-N 3.4Å; K109-G143 WeakPolarHBondContact CG-O 3.36Å; K109-L145 HydrophobicContact CB-CB 4.25Å; K109-L145 HydrophobicContact CD-CB 3.67Å; K109-L145 HydrophobicContact CD-CD2 4.21Å; K109-L145 HydrophobicContact CG-CB 3.88Å
110	H	97.7	Very high	96.6	Very high	98 Å²	98	58.5 Å²	58.5	45%	0.454	29%	0.286	S	S	.	.	H	α-helix	trans	-55.5	-51.6	-178.6	-179.9	86.4	0	0	0	111.3	V106 S107 C108 N114	V106-H110 WeakPolarHBondContact O-CB 3.16Å; V106-H110 PolarHBondContact O-N 2.84Å; S107-H110 WeakPolarHBondContact O-CB 3.34Å; S107-H110 PolarHBondContact O-N 3.44Å; C108-H110 VanDerWaalsContact C-N 3.29Å; C108-H110 PolarHBondContact O-N 3.5Å; H110-N114 PolarHBondContact CE1-ND2 2.96Å; H110-N114 PolarHBondContact ND1-ND2 2.87Å; H110-N114 PolarHBondContact NE2-ND2 3.36Å; H110-N114 VanDerWaalsContact O-CB 3.26Å; H110-N114 WeakPolarHBondContact O-CB 3.3Å; H110-N114 PolarHBondContact O-N 2.84Å; H110-N114 VanDerWaalsContact O-N 3.12Å; H110-N114 PolarHBondContact O-ND2 2.82Å; H110-N114 VanDerWaalsContact O-ND2 3.13Å
111	F	96.7	Very high	96.4	Very high	19 Å²	19	58.2 Å²	58.2	8%	0.083	28%	0.284	C	S	.	.	H	α-helix	trans	-66.1	-48.7	177	-68	-72.6	0	0	0	112.2	V80 M83 V84 S107 C108 K109 Y113 N114 Y115	V80-F111 HydrophobicContact CG1-CB 4.16Å; V80-F111 HydrophobicContact CG2-CB 4.24Å; M83-F111 HydrophobicContact CB-CE1 4.13Å; M83-F111 HydrophobicContact CB-CE2 3.93Å; M83-F111 HydrophobicContact CB-CZ 3.69Å; M83-F111 HydrophobicContact CG-CZ 4.5Å; M83-F111 HydrophobicContact SD-CD1 4.1Å; M83-F111 HydrophobicContact SD-CE1 3.85Å; M83-F111 HydrophobicContact SD-CZ 4.38Å; V84-F111 HydrophobicContact CG2-CD2 3.69Å; V84-F111 HydrophobicContact CG2-CE2 3.93Å; S107-F111 VanDerWaalsContact O-CD2 3.28Å; S107-F111 WeakPolarHBondContact O-CD2 3.38Å; S107-F111 PolarHBondContact O-N 2.91Å; C108-F111 PolarHBondContact O-N 2.89Å; K109-F111 PolarHBondContact O-N 3.12Å; F111-Y113 VanDerWaalsContact C-N 3.29Å; F111-Y113 PolarHBondContact O-N 3.42Å; F111-N114 PolarHBondContact O-N 2.95Å; F111-Y115 HydrophobicContact CD1-CD2 4.29Å; F111-Y115 HydrophobicContact CD1-CE2 4Å; F111-Y115 WeakPolarHBondContact O-CD2 3.43Å; F111-Y115 PolarHBondContact O-N 3.37Å
112	C	96.5	Very high	96.3	Very high	4 Å²	4	58.5 Å²	58.5	3%	0.027	29%	0.287	C	S	.	.	H	α-helix	trans	-64.8	-32.9	-175.4	-63	0	0	0	0	112.8	C108 K109 R116 I139	C108-C112 WeakPolarHBondContact O-CB 3.47Å; C108-C112 PolarHBondContact O-N 3.26Å; C108-C112 PolarHBondContact O-SG 2.61Å; K109-C112 PolarHBondContact O-N 2.83Å; C112-R116 WeakPolarHBondContact O-CA 3.39Å; C112-R116 VanDerWaalsContact O-CB 3.24Å; C112-R116 WeakPolarHBondContact O-CB 3.4Å; C112-R116 PolarHBondContact O-N 3.28Å; C112-I139 HydrophobicContact CB-CG2 3.73Å
113	Y	96.4	Very high	96.2	Very high	114 Å²	114	55.2 Å²	55.2	45%	0.447	27%	0.27	S	S	.	.	H	α-helix	trans	-80.7	-43.3	180	-176.1	-98.1	0	0	0	112.5	K109 F111 R116 G142	K109-Y113 WeakPolarHBondContact O-CB 3.34Å; K109-Y113 PolarHBondContact O-N 3.4Å; F111-Y113 VanDerWaalsContact C-N 3.29Å; F111-Y113 PolarHBondContact O-N 3.42Å; Y113-R116 VanDerWaalsContact CZ-NH1 3.32Å; Y113-R116 WeakPolarHBondContact O-CG 3.33Å; Y113-G142 WeakPolarHBondContact CD2-O 3.47Å
114	N	96.4	Very high	96.2	Very high	86 Å²	86	53 Å²	53	46%	0.46	26%	0.26	S	S	.	.	H	α-helix	trans	-73.6	-31.7	-175.8	-70.4	-23.6	0	0	0	112.5	H110 F111	H110-N114 PolarHBondContact CE1-ND2 2.96Å; H110-N114 PolarHBondContact ND1-ND2 2.87Å; H110-N114 PolarHBondContact NE2-ND2 3.36Å; H110-N114 VanDerWaalsContact O-CB 3.26Å; H110-N114 WeakPolarHBondContact O-CB 3.3Å; H110-N114 PolarHBondContact O-N 2.84Å; H110-N114 VanDerWaalsContact O-N 3.12Å; H110-N114 PolarHBondContact O-ND2 2.82Å; H110-N114 VanDerWaalsContact O-ND2 3.13Å; F111-N114 PolarHBondContact O-N 2.95Å
115	Y	94.9	Very high	96.2	Very high	118 Å²	118	53 Å²	53	46%	0.463	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	24	178.5	-57.8	-81.6	0	0	0	111.8	F111 D117 D118 L119	F111-Y115 HydrophobicContact CD1-CD2 4.29Å; F111-Y115 HydrophobicContact CD1-CE2 4Å; F111-Y115 WeakPolarHBondContact O-CD2 3.43Å; F111-Y115 PolarHBondContact O-N 3.37Å; Y115-D117 PolarHBondContact O-N 2.92Å; Y115-D117 VanDerWaalsContact O-N 3.14Å; Y115-D118 CarbonylContact O-C 3.55Å; Y115-D118 PolarHBondContact O-N 3.35Å; Y115-L119 HydrophobicContact CG-CD1 4.46Å; Y115-L119 WeakPolarHBondContact O-CB 3.13Å; Y115-L119 WeakPolarHBondContact O-CG 3.41Å; Y115-L119 PolarHBondContact O-N 3.49Å
116	R	92.9	Very high	96.3	Very high	106 Å²	106	53 Å²	53	40%	0.4	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-23.6	-175.3	70.6	-178.4	-175.3	-113.8	-4.1	114.5	C112 Y113	C112-R116 WeakPolarHBondContact O-CA 3.39Å; C112-R116 VanDerWaalsContact O-CB 3.24Å; C112-R116 WeakPolarHBondContact O-CB 3.4Å; C112-R116 PolarHBondContact O-N 3.28Å; Y113-R116 VanDerWaalsContact CZ-NH1 3.32Å; Y113-R116 WeakPolarHBondContact O-CG 3.33Å
117	D	93.4	Very high	96.3	Very high	137 Å²	137	49.5 Å²	49.5	73%	0.733	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-17	179.6	-59.9	-35.5	0	0	0	111.2	Y115	Y115-D117 PolarHBondContact O-N 2.92Å; Y115-D117 VanDerWaalsContact O-N 3.14Å
118	D	93.7	Very high	96.3	Very high	127 Å²	127	50.8 Å²	50.8	68%	0.679	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-22.9	179.9	-58.5	-60.3	0	0	0	113	Y115	Y115-D118 CarbonylContact O-C 3.55Å; Y115-D118 PolarHBondContact O-N 3.35Å
119	L	92.5	Very high	96.3	Very high	41 Å²	41	51.4 Å²	51.4	22%	0.215	25%	0.245	C	C	.	.			trans	-112.1	133.6	-175.2	-57.7	180	0	0	0	112	D76 V80 Y115 A121	D76-L119 HydrophobicContact CB-CB 4.38Å; D76-L119 HydrophobicContact CB-CD2 3.86Å; D76-L119 WeakPolarHBondContact OD2-CA 3.36Å; V80-L119 HydrophobicContact CG2-CD1 3.68Å; Y115-L119 HydrophobicContact CG-CD1 4.46Å; Y115-L119 WeakPolarHBondContact O-CB 3.13Å; Y115-L119 WeakPolarHBondContact O-CG 3.41Å; Y115-L119 PolarHBondContact O-N 3.49Å; L119-A121 HydrophobicContact CB-CB 4.49Å
120	V	93.4	Very high	96.2	Very high	78 Å²	78	55.3 Å²	55.3	47%	0.473	26%	0.264	S	S	.	.			trans	-100	84.1	165.5	-173.9	0	0	0	0	108.4	G72 S73 D76 L141	G72-V120 CarbonylContact C-O 3.58Å; G72-V120 WeakPolarHBondContact CA-O 3.33Å; S73-V120 PolarHBondContact N-O 3.02Å; D76-V120 PolarHBondContact OD2-N 3.33Å; V120-L141 HydrophobicContact CG1-CD2 4.4Å
121	A	94.3	Very high	96.1	Very high	5 Å²	5	57 Å²	57	4%	0.041	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	121.2	-176.4	0	0	0	0	0	112.3	T77 L119	T77-A121 HydrophobicContact CG2-CB 3.84Å; L119-A121 HydrophobicContact CB-CB 4.49Å
122	G	95.3	Very high	96.2	Very high	5 Å²	5	61.5 Å²	61.5	5%	0.052	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	118.6	162.9	0	0	0	0	0	109.4	S71	S71-G122 PolarHBondContact N-O 3.25Å; S71-G122 PolarHBondContact O-N 3.37Å; S71-G122 PolarHBondContact OG-O 3.48Å
123	I	97.9	Very high	96.2	Very high	3 Å²	3	62 Å²	62	2%	0.015	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	136	-174.3	-56.5	-65.5	0	0	0	109.8	C68 C69 R70 T77 C108 V125 I139	C68-I123 HydrophobicContact CB-CG2 3.82Å; C69-I123 WeakPolarHBondContact O-CA 3.19Å; R70-I123 HydrophobicContact CB-CD1 4.35Å; R70-I123 HydrophobicContact CG-CD1 3.96Å; T77-I123 HydrophobicContact CG2-CD1 3.9Å; C108-I123 HydrophobicContact CB-CG2 4.42Å; I123-V125 HydrophobicContact CG2-CG2 3.93Å; I123-I139 HydrophobicContact CB-CB 4.27Å; I123-I139 HydrophobicContact CB-CD1 4.33Å; I123-I139 HydrophobicContact CG2-CD1 4.23Å; I123-I139 PolarHBondContact N-O 3.23Å; I123-I139 CarbonylContact O-C 3.47Å; I123-I139 WeakPolarHBondContact O-CA 3.38Å; I123-I139 PolarHBondContact O-N 2.9Å
124	I	98.6	Very high	96.3	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.021	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.9	163	-55.9	175.2	0	0	0	106.9	L28 A30 C68 C69 I136 Y137 V151	L28-I124 HydrophobicContact CB-CD1 3.68Å; L28-I124 HydrophobicContact CD1-CD1 4.24Å; L28-I124 HydrophobicContact CD1-CG1 4.31Å; A30-I124 HydrophobicContact CB-CG2 3.86Å; C68-I124 CarbonylContact C-O 3.59Å; C68-I124 WeakPolarHBondContact CA-O 3.35Å; C69-I124 HydrophobicContact CB-CB 4.02Å; C69-I124 PolarHBondContact N-O 3.48Å; C69-I124 PolarHBondContact O-N 2.97Å; I124-I136 HydrophobicContact CG2-CG2 3.63Å; I124-Y137 CarbonylContact C-O 3.55Å; I124-Y137 WeakPolarHBondContact CA-O 3.05Å; I124-V151 HydrophobicContact CD1-CB 4.13Å; I124-V151 HydrophobicContact CD1-CG1 3.56Å; I124-V151 HydrophobicContact CG1-CG1 3.82Å; I124-V151 HydrophobicContact CG2-CB 4.34Å; I124-V151 HydrophobicContact CG2-CG1 4.38Å
125	V	98.9	Very high	96.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128.4	171.2	178.5	0	0	0	0	108.3	I66 C68 V101 A104 A105 C108 I123 I136 Y137 I139	I66-V125 HydrophobicContact CG2-CG1 3.8Å; C68-V125 HydrophobicContact CB-CG2 4.22Å; V101-V125 HydrophobicContact CG1-CG1 4.23Å; A104-V125 HydrophobicContact CB-CG1 4.11Å; A105-V125 HydrophobicContact CB-CB 4.03Å; A105-V125 HydrophobicContact CB-CG1 4.11Å; A105-V125 HydrophobicContact CB-CG2 4.38Å; C108-V125 HydrophobicContact CB-CG2 4.01Å; C108-V125 VanDerWaalsContact SG-CG2 3.56Å; I123-V125 HydrophobicContact CG2-CG2 3.93Å; V125-I136 WeakPolarHBondContact O-CA 3.45Å; V125-Y137 PolarHBondContact N-O 3.5Å; V125-Y137 PolarHBondContact O-N 3.29Å; V125-I139 HydrophobicContact CB-CD1 4.43Å; V125-I139 HydrophobicContact CG2-CD1 3.77Å
126	A	98.9	Very high	96.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	144.7	177.4	0	0	0	0	0	110.3	V37 I39 Y67 Q135 I136	V37-A126 HydrophobicContact CG2-CB 4.11Å; I39-A126 HydrophobicContact CG2-CB 3.4Å; Y67-A126 PolarHBondContact N-O 2.85Å; Y67-A126 PolarHBondContact O-N 2.9Å; A126-Q135 VanDerWaalsContact CA-O 3.29Å; A126-Q135 WeakPolarHBondContact CA-O 3.47Å; A126-I136 HydrophobicContact CB-CG1 4Å; A126-I136 HydrophobicContact CB-CG2 4.47Å
127	G	98.8	Very high	96.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	-166.6	179.1	0	0	0	0	0	112.8	S65 V101 G134 Q135	S65-G127 CarbonylContact O-C 3.57Å; S65-G127 WeakPolarHBondContact O-CA 3.35Å; V101-G127 VanDerWaalsContact CG2-C 3.43Å; G127-G134 WeakPolarHBondContact O-CA 3.43Å; G127-Q135 PolarHBondContact N-O 3.33Å; G127-Q135 VanDerWaalsContact N-O 3.11Å; G127-Q135 PolarHBondContact O-N 3.48Å
128	W	98.7	Very high	97.1	Very high	39 Å²	39	37.6 Å²	37.6	15%	0.148	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	136.3	174.5	-173.3	98.6	0	0	0	109.6	S65 E130 G133 I204 K206	S65-W128 WeakPolarHBondContact CB-O 3.34Å; S65-W128 PolarHBondContact O-N 3.42Å; W128-E130 HydrophobicContact CH2-CB 4.5Å; W128-E130 HydrophobicContact CH2-CG 4.03Å; W128-E130 WeakPolarHBondContact CH2-OE1 3.34Å; W128-E130 HydrophobicContact CZ3-CG 4.01Å; W128-E130 WeakPolarHBondContact CZ3-OE1 3.49Å; W128-G133 WeakPolarHBondContact CA-O 3.39Å; W128-G133 VanDerWaalsContact CD1-C 3.49Å; W128-I204 HydrophobicContact CB-CG2 4Å; W128-K206 HydrophobicContact CD2-CB 4.11Å; W128-K206 HydrophobicContact CE3-CB 4.37Å; W128-K206 HydrophobicContact CH2-CB 3.63Å; W128-K206 HydrophobicContact CZ2-CB 3.32Å; W128-K206 HydrophobicContact CZ3-CB 4.15Å
129	D	98.1	Very high	97.3	Very high	13 Å²	13	31.6 Å²	31.6	7%	0.07	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	166	169.2	63.5	52.2	0	0	0	111.2	T100 V101 E131 L132 G133 Q135	T100-D129 WeakPolarHBondContact CB-OD2 3.48Å; V101-D129 HydrophobicContact CG2-CB 4.3Å; V101-D129 WeakPolarHBondContact CG2-OD2 3.4Å; V101-D129 PolarHBondContact N-OD2 3.34Å; D129-E131 VanDerWaalsContact C-N 3.26Å; D129-E131 PolarHBondContact O-N 2.94Å; D129-E131 PolarHBondContact OD1-N 3.42Å; D129-L132 PolarHBondContact OD1-N 3.27Å; D129-G133 PolarHBondContact N-O 2.9Å; D129-G133 WeakPolarHBondContact O-CA 3.48Å; D129-G133 PolarHBondContact O-N 3.33Å; D129-Q135 VanDerWaalsContact CG-NE2 3.34Å; D129-Q135 PolarHBondContact OD1-NE2 2.96Å; D129-Q135 PolarHBondContact OD2-NE2 3.23Å
130	E	96	Very high	97.5	Very high	165 Å²	165	31.8 Å²	31.8	77%	0.771	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-20.4	-178.1	-65.8	-72.6	164.1	0	0	113.3	W128	W128-E130 HydrophobicContact CH2-CB 4.5Å; W128-E130 HydrophobicContact CH2-CG 4.03Å; W128-E130 WeakPolarHBondContact CH2-OE1 3.34Å; W128-E130 HydrophobicContact CZ3-CG 4.01Å; W128-E130 WeakPolarHBondContact CZ3-OE1 3.49Å
131	E	96.6	Very high	97.3	Very high	132 Å²	132	33.8 Å²	33.8	62%	0.617	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-46.5	-173.7	-66	-173.1	-165.1	0	0	111.8	T100 D129	T100-E131 HydrophobicContact CG2-CG 4.34Å; D129-E131 VanDerWaalsContact C-N 3.26Å; D129-E131 PolarHBondContact O-N 2.94Å; D129-E131 PolarHBondContact OD1-N 3.42Å
132	L	97.4	Very high	97.2	Very high	115 Å²	115	35.4 Å²	35.4	60%	0.602	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.1	-1.2	-172.2	-65.2	178.8	0	0	0	113.2	D129 Q135	D129-L132 PolarHBondContact OD1-N 3.27Å; L132-Q135 VanDerWaalsContact CB-CD 3.45Å; L132-Q135 HydrophobicContact CB-CG 4.08Å
133	G	97.9	Very high	97	Very high	15 Å²	15	35.2 Å²	35.2	16%	0.155	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	69.1	-140.6	-179	0	0	0	0	0	112.5	W128 D129 Q135	W128-G133 WeakPolarHBondContact CA-O 3.39Å; W128-G133 VanDerWaalsContact CD1-C 3.49Å; D129-G133 PolarHBondContact N-O 2.9Å; D129-G133 WeakPolarHBondContact O-CA 3.48Å; D129-G133 PolarHBondContact O-N 3.33Å; G133-Q135 PolarHBondContact O-N 2.85Å; G133-Q135 PolarHBondContact O-NE2 3.27Å
134	G	98.3	Very high	96.9	Very high	15 Å²	15	40.2 Å²	40.2	16%	0.155	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	123.3	-178.3	0	0	0	0	0	112.5	G127	G127-G134 WeakPolarHBondContact O-CA 3.43Å
135	Q	98.6	Very high	96.9	Very high	3 Å²	3	42.1 Å²	42.1	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	147.3	-177.3	-62.6	164.1	83.7	0	0	112.5	V101 A126 G127 D129 L132 G133 Y137	V101-Q135 HydrophobicContact CB-CB 4.21Å; V101-Q135 HydrophobicContact CG1-CB 4.06Å; V101-Q135 HydrophobicContact CG2-CB 4.46Å; A126-Q135 VanDerWaalsContact CA-O 3.29Å; A126-Q135 WeakPolarHBondContact CA-O 3.47Å; G127-Q135 PolarHBondContact N-O 3.33Å; G127-Q135 VanDerWaalsContact N-O 3.11Å; G127-Q135 PolarHBondContact O-N 3.48Å; D129-Q135 VanDerWaalsContact CG-NE2 3.34Å; D129-Q135 PolarHBondContact OD1-NE2 2.96Å; D129-Q135 PolarHBondContact OD2-NE2 3.23Å; L132-Q135 VanDerWaalsContact CB-CD 3.45Å; L132-Q135 HydrophobicContact CB-CG 4.08Å; G133-Q135 PolarHBondContact O-N 2.85Å; G133-Q135 PolarHBondContact O-NE2 3.27Å; Q135-Y137 HydrophobicContact CB-CD2 4.49Å; Q135-Y137 HydrophobicContact CB-CE2 3.84Å; Q135-Y137 PolarHBondContact OE1-OH 2.82Å
136	I	98.8	Very high	96.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.9	175.3	-54.8	162.6	0	0	0	111	A30 C31 E32 V37 I124 V125 A126 R147 Q148 V151	A30-I136 VanDerWaalsContact C-CD1 3.49Å; A30-I136 HydrophobicContact CB-CD1 3.79Å; A30-I136 HydrophobicContact CB-CG1 4.15Å; A30-I136 HydrophobicContact CB-CG2 3.67Å; C31-I136 VanDerWaalsContact C-CD1 3.41Å; E32-I136 HydrophobicContact CG-CD1 3.89Å; E32-I136 HydrophobicContact CG-CG1 4.19Å; E32-I136 PolarHBondContact OE1-N 2.98Å; E32-I136 VanDerWaalsContact OE1-N 3.08Å; V37-I136 HydrophobicContact CB-CG1 4.28Å; V37-I136 HydrophobicContact CG1-CD1 4.22Å; V37-I136 HydrophobicContact CG1-CG1 3.78Å; I124-I136 HydrophobicContact CG2-CG2 3.63Å; V125-I136 WeakPolarHBondContact O-CA 3.45Å; A126-I136 HydrophobicContact CB-CG1 4Å; A126-I136 HydrophobicContact CB-CG2 4.47Å; I136-R147 VanDerWaalsContact O-CD 3.29Å; I136-R147 WeakPolarHBondContact O-CD 3.25Å; I136-R147 PolarHBondContact O-NH1 3.21Å; I136-Q148 WeakPolarHBondContact CB-O 3.12Å; I136-Q148 PolarHBondContact O-N 3.49Å; I136-V151 HydrophobicContact CG2-CB 3.96Å; I136-V151 HydrophobicContact CG2-CG2 3.55Å
137	Y	98.8	Very high	96.8	Very high	16 Å²	16	49.3 Å²	49.3	6%	0.063	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.4	175.4	-64.4	-90.5	0	0	0	110.9	V101 L102 A105 I124 V125 Q135 L145 I146 R147	V101-Y137 HydrophobicContact CB-CE2 4.28Å; V101-Y137 HydrophobicContact CG1-CD2 3.89Å; V101-Y137 HydrophobicContact CG1-CE2 3.89Å; L102-Y137 HydrophobicContact CB-CE2 4.4Å; L102-Y137 HydrophobicContact CD1-CD1 4.41Å; L102-Y137 HydrophobicContact CD1-CE1 3.62Å; A105-Y137 HydrophobicContact CB-CD1 4.23Å; A105-Y137 HydrophobicContact CB-CD2 3.78Å; A105-Y137 HydrophobicContact CB-CG 3.61Å; I124-Y137 CarbonylContact C-O 3.55Å; I124-Y137 WeakPolarHBondContact CA-O 3.05Å; V125-Y137 PolarHBondContact N-O 3.5Å; V125-Y137 PolarHBondContact O-N 3.29Å; Q135-Y137 HydrophobicContact CB-CD2 4.49Å; Q135-Y137 HydrophobicContact CB-CE2 3.84Å; Q135-Y137 PolarHBondContact OE1-OH 2.82Å; Y137-L145 HydrophobicContact CD1-CD1 3.96Å; Y137-L145 HydrophobicContact CD1-CG 4.26Å; Y137-L145 HydrophobicContact CG-CD1 4.2Å; Y137-I146 CarbonylContact C-O 3.55Å; Y137-I146 WeakPolarHBondContact CA-O 3.35Å; Y137-R147 HydrophobicContact CD1-CB 4Å; Y137-R147 HydrophobicContact CE1-CB 3.83Å; Y137-R147 HydrophobicContact CE1-CG 4.17Å
138	S	98.3	Very high	96.8	Very high	14 Å²	14	53.3 Å²	53.3	10%	0.098	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	131	173	-169.8	0	0	0	0	110.2	I146	S138-I146 PolarHBondContact N-O 2.73Å; S138-I146 PolarHBondContact O-N 3.28Å
139	I	98.2	Very high	96.8	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	84.3	165.5	-53.2	100.2	0	0	0	108.4	C108 C112 I123 V125 M144 L145	C108-I139 HydrophobicContact CB-CD1 3.96Å; C112-I139 HydrophobicContact CB-CG2 3.73Å; I123-I139 HydrophobicContact CB-CB 4.27Å; I123-I139 HydrophobicContact CB-CD1 4.33Å; I123-I139 HydrophobicContact CG2-CD1 4.23Å; I123-I139 PolarHBondContact N-O 3.23Å; I123-I139 CarbonylContact O-C 3.47Å; I123-I139 WeakPolarHBondContact O-CA 3.38Å; I123-I139 PolarHBondContact O-N 2.9Å; V125-I139 HydrophobicContact CB-CD1 4.43Å; V125-I139 HydrophobicContact CG2-CD1 3.77Å; I139-M144 VanDerWaalsContact CA-O 3.29Å; I139-M144 WeakPolarHBondContact CA-O 3.2Å; I139-L145 HydrophobicContact CD1-CD1 4.1Å; I139-L145 HydrophobicContact CG1-CD1 3.82Å
140	P	95	Very high	96.8	Very high	44 Å²	44	54 Å²	54	29%	0.286	29%	0.286	S	S	.	.			trans	-64	171.9	176.4	-19.1	32.4	0	0	0	112.3	G142 G143 M144 I146	P140-G142 PolarHBondContact O-N 2.96Å; P140-G143 PolarHBondContact O-N 2.89Å; P140-M144 WeakPolarHBondContact CD-O 3.24Å; P140-M144 HydrophobicContact CG-CG 4.32Å; P140-I146 HydrophobicContact CG-CD1 4.42Å
141	L	90.9	Very high	96.9	Very high	120 Å²	120	46.4 Å²	46.4	63%	0.628	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	128.2	169.1	-79.4	67.6	0	0	0	109	V120	V120-L141 HydrophobicContact CG1-CD2 4.4Å
142	G	90.7	Very high	96.9	Very high	40 Å²	40	41.1 Å²	41.1	41%	0.412	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.9	-12.9	-171	0	0	0	0	0	114.5	Y113 P140 M144	Y113-G142 WeakPolarHBondContact CD2-O 3.47Å; P140-G142 PolarHBondContact O-N 2.96Å; G142-M144 PolarHBondContact O-N 2.87Å
143	G	92.7	Very high	96.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.205	C	C	.	.			trans	80.9	13.9	165.6	0	0	0	0	0	116	K109 P140	K109-G143 WeakPolarHBondContact CG-O 3.36Å; P140-G143 PolarHBondContact O-N 2.89Å
144	M	95.3	Very high	96.7	Very high	108 Å²	108	36.7 Å²	36.7	53%	0.532	21%	0.209	S	C	.	.			trans	-69.3	155.6	171.4	70.5	-178.2	-61.6	0	0	111.1	I139 P140 G142 I146	I139-M144 VanDerWaalsContact CA-O 3.29Å; I139-M144 WeakPolarHBondContact CA-O 3.2Å; P140-M144 WeakPolarHBondContact CD-O 3.24Å; P140-M144 HydrophobicContact CG-CG 4.32Å; G142-M144 PolarHBondContact O-N 2.87Å; M144-I146 HydrophobicContact CE-CD1 3.56Å; M144-I146 HydrophobicContact CE-CG1 3.69Å; M144-I146 HydrophobicContact CG-CD1 4.18Å; M144-I146 HydrophobicContact CG-CG1 4.19Å; M144-I146 HydrophobicContact SD-CD1 3.86Å; M144-I146 HydrophobicContact SD-CG1 4.34Å
145	L	98.3	Very high	96.5	Very high	44 Å²	44	38 Å²	38	23%	0.23	22%	0.216	C	C	.	.			trans	-114.4	124.9	-179.9	179.6	67.6	0	0	0	110.2	L102 A105 V106 K109 Y137 I139	L102-L145 HydrophobicContact CD1-CD2 4.35Å; A105-L145 HydrophobicContact CB-CD1 3.81Å; V106-L145 HydrophobicContact CG2-CD2 4Å; K109-L145 HydrophobicContact CB-CB 4.25Å; K109-L145 HydrophobicContact CD-CB 3.67Å; K109-L145 HydrophobicContact CD-CD2 4.21Å; K109-L145 HydrophobicContact CG-CB 3.88Å; Y137-L145 HydrophobicContact CD1-CD1 3.96Å; Y137-L145 HydrophobicContact CD1-CG 4.26Å; Y137-L145 HydrophobicContact CG-CD1 4.2Å; I139-L145 HydrophobicContact CD1-CD1 4.1Å; I139-L145 HydrophobicContact CG1-CD1 3.82Å
146	I	98.3	Very high	96.4	Very high	54 Å²	54	37.9 Å²	37.9	28%	0.277	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	127.2	-177.6	-46.3	175.1	0	0	0	109.8	Y137 S138 P140 M144 Q148	Y137-I146 CarbonylContact C-O 3.55Å; Y137-I146 WeakPolarHBondContact CA-O 3.35Å; S138-I146 PolarHBondContact N-O 2.73Å; S138-I146 PolarHBondContact O-N 3.28Å; P140-I146 HydrophobicContact CG-CD1 4.42Å; M144-I146 HydrophobicContact CE-CD1 3.56Å; M144-I146 HydrophobicContact CE-CG1 3.69Å; M144-I146 HydrophobicContact CG-CD1 4.18Å; M144-I146 HydrophobicContact CG-CG1 4.19Å; M144-I146 HydrophobicContact SD-CD1 3.86Å; M144-I146 HydrophobicContact SD-CG1 4.34Å; I146-Q148 HydrophobicContact CG2-CG 3.82Å
147	R	98.3	Very high	96.2	Very high	98 Å²	98	38.4 Å²	38.4	37%	0.37	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	123.8	171.5	177.5	67	-177.1	80.1	6.1	109.6	E32 I136 Y137	E32-R147 IonicContact OE1-CZ 2.83Å; E32-R147 IonicContact OE1-NH1 3.64Å; E32-R147 PolarHBondContact OE1-NH1 2.89Å; E32-R147 IonicContact OE1-NH2 2.83Å; E32-R147 PolarHBondContact OE1-NH2 3.45Å; E32-R147 IonicContact OE2-CZ 3.47Å; E32-R147 IonicContact OE2-NH1 3.73Å; E32-R147 IonicContact OE2-NH2 3.5Å; E32-R147 PolarHBondContact OE2-NH2 2.9Å; I136-R147 VanDerWaalsContact O-CD 3.29Å; I136-R147 WeakPolarHBondContact O-CD 3.25Å; I136-R147 PolarHBondContact O-NH1 3.21Å; Y137-R147 HydrophobicContact CD1-CB 4Å; Y137-R147 HydrophobicContact CE1-CB 3.83Å; Y137-R147 HydrophobicContact CE1-CG 4.17Å
148	Q	97.9	Very high	96	Very high	84 Å²	84	42.3 Å²	42.3	39%	0.393	25%	0.245	S	C	.	.			trans	-143.9	145.2	174.8	-59.6	-173.7	-64.7	0	0	110.6	I136 I146 I150 V151	I136-Q148 WeakPolarHBondContact CB-O 3.12Å; I136-Q148 PolarHBondContact O-N 3.49Å; I146-Q148 HydrophobicContact CG2-CG 3.82Å; Q148-I150 WeakPolarHBondContact CB-O 3.37Å; Q148-I150 PolarHBondContact O-N 2.9Å; Q148-V151 HydrophobicContact CB-CG2 3.83Å
149	P	97.6	Very high	95.9	Very high	44 Å²	44	47.5 Å²	47.5	29%	0.286	26%	0.263	S	S	.	.	S	Bend	trans	-71.6	-13.9	179.4	31.9	-37.3	0	0	0	113.2	E32 F168	E32-P149 PolarHBondContact N-O 3.4Å; P149-F168 HydrophobicContact CB-CZ 3.86Å; P149-F168 HydrophobicContact CG-CE1 4.12Å; P149-F168 HydrophobicContact CG-CZ 3.85Å
150	I	98.2	Very high	95.8	Very high	23 Å²	23	47.4 Å²	47.4	12%	0.118	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	135.4	172.7	177.8	151.4	0	0	0	108.7	F29 A30 C31 Q148 V164 F168 F180	F29-I150 HydrophobicContact CE1-CD1 3.7Å; F29-I150 HydrophobicContact CE1-CG1 4.28Å; F29-I150 HydrophobicContact CZ-CD1 4.05Å; A30-I150 WeakPolarHBondContact O-CA 3.04Å; C31-I150 HydrophobicContact CB-CD1 4.34Å; Q148-I150 WeakPolarHBondContact CB-O 3.37Å; Q148-I150 PolarHBondContact O-N 2.9Å; I150-V164 HydrophobicContact CD1-CB 4.48Å; I150-V164 HydrophobicContact CD1-CG1 3.66Å; I150-V164 HydrophobicContact CD1-CG2 4.1Å; I150-V164 HydrophobicContact CG1-CG1 4.14Å; I150-V164 HydrophobicContact CG2-CG1 4.42Å; I150-F168 HydrophobicContact CB-CD2 4.01Å; I150-F168 HydrophobicContact CB-CE2 4.05Å; I150-F168 HydrophobicContact CB-CG 4.38Å; I150-F168 HydrophobicContact CB-CZ 4.45Å; I150-F168 HydrophobicContact CD1-CB 4.15Å; I150-F168 HydrophobicContact CD1-CD2 3.83Å; I150-F168 HydrophobicContact CD1-CG 4.13Å; I150-F168 HydrophobicContact CG2-CD1 3.92Å; I150-F168 HydrophobicContact CG2-CD2 4.03Å; I150-F168 HydrophobicContact CG2-CE1 4.03Å; I150-F168 HydrophobicContact CG2-CE2 4.14Å; I150-F168 HydrophobicContact CG2-CG 3.93Å; I150-F168 HydrophobicContact CG2-CZ 4.15Å; I150-F180 HydrophobicContact CD1-CD1 4.47Å; I150-F180 HydrophobicContact CD1-CE1 3.54Å; I150-F180 HydrophobicContact CD1-CZ 4.34Å
151	V	98.2	Very high	95.9	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	130	175.9	-177.2	0	0	0	0	108.6	A30 I124 I136 Q148	A30-V151 PolarHBondContact N-O 2.93Å; A30-V151 PolarHBondContact O-N 3.02Å; I124-V151 HydrophobicContact CD1-CB 4.13Å; I124-V151 HydrophobicContact CD1-CG1 3.56Å; I124-V151 HydrophobicContact CG1-CG1 3.82Å; I124-V151 HydrophobicContact CG2-CB 4.34Å; I124-V151 HydrophobicContact CG2-CG1 4.38Å; I136-V151 HydrophobicContact CG2-CB 3.96Å; I136-V151 HydrophobicContact CG2-CG2 3.55Å; Q148-V151 HydrophobicContact CB-CG2 3.83Å
152	I	97.9	Very high	96.2	Very high	21 Å²	21	48 Å²	48	11%	0.108	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	144.7	167.7	55.4	172.3	0	0	0	109	L28 F29 T160 Y161 V164	L28-I152 WeakPolarHBondContact O-CA 3.27Å; F29-I152 HydrophobicContact CB-CG2 4.46Å; F29-I152 HydrophobicContact CD1-CG2 4.03Å; F29-I152 HydrophobicContact CD2-CG2 3.43Å; F29-I152 VanDerWaalsContact CD2-CG2 3.43Å; F29-I152 HydrophobicContact CE1-CG2 4.09Å; F29-I152 HydrophobicContact CE2-CG2 3.49Å; F29-I152 VanDerWaalsContact CE2-CG2 3.49Å; F29-I152 HydrophobicContact CG-CG2 3.72Å; F29-I152 HydrophobicContact CZ-CG2 3.86Å; I152-T160 WeakPolarHBondContact CD1-OG1 3.28Å; I152-Y161 HydrophobicContact CD1-CD1 3.76Å; I152-Y161 HydrophobicContact CD1-CD2 4.01Å; I152-Y161 HydrophobicContact CD1-CE1 3.77Å; I152-Y161 HydrophobicContact CD1-CE2 4.02Å; I152-Y161 HydrophobicContact CD1-CG 3.87Å; I152-Y161 HydrophobicContact CG1-CE1 4.19Å; I152-V164 HydrophobicContact CD1-CG2 4.13Å; I152-V164 HydrophobicContact CG2-CG2 3.91Å
153	G	95.8	Very high	96.6	Very high	15 Å²	15	49 Å²	49	16%	0.155	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	171.8	-177.6	0	0	0	0	0	113.6	L28	L28-G153 PolarHBondContact N-O 2.87Å; L28-G153 PolarHBondContact O-N 3.23Å
154	G	94.4	Very high	96.8	Very high	23 Å²	23	49.6 Å²	49.6	24%	0.237	26%	0.263	C	S	.	.	S	Bend	trans	78.2	172.3	-173.2	0	0	0	0	0	113.3	T26 G156 S157	T26-G154 CarbonylContact O-C 3.54Å; T26-G154 WeakPolarHBondContact O-CA 3.45Å; G154-G156 PolarHBondContact O-N 3.06Å; G154-S157 WeakPolarHBondContact O-CB 3.44Å; G154-S157 PolarHBondContact O-N 3.05Å; G154-S157 VanDerWaalsContact O-N 3.13Å; G154-S157 PolarHBondContact O-OG 2.95Å
155	S	94.3	Very high	96.9	Very high	43 Å²	43	50.5 Å²	50.5	30%	0.301	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-52.9	-39	-177.1	52	0	0	0	0	113.6	T26 S157 T158 D192	T26-S155 PolarHBondContact N-OG 2.75Å; T26-S155 VanDerWaalsContact N-OG 3.1Å; T26-S155 PolarHBondContact O-N 3.4Å; T26-S155 PolarHBondContact O-OG 2.79Å; S155-S157 VanDerWaalsContact C-N 3.3Å; S155-S157 PolarHBondContact O-N 2.92Å; S155-T158 PolarHBondContact O-OG1 2.79Å; S155-D192 PolarHBondContact OG-OD2 3.22Å
156	G	95.6	Very high	96.9	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-74.7	-16.7	-176.3	0	0	0	0	0	114.7	T26 T27 G154 T158 Y159 A188 D192	T26-G156 PolarHBondContact O-N 3.2Å; T27-G156 WeakPolarHBondContact OG1-CA 3.29Å; G154-G156 PolarHBondContact O-N 3.06Å; G156-T158 PolarHBondContact O-N 2.83Å; G156-Y159 PolarHBondContact O-N 2.84Å; G156-Y159 VanDerWaalsContact O-N 3.13Å; G156-A188 WeakPolarHBondContact O-CB 3.13Å; G156-D192 WeakPolarHBondContact CA-OD2 3.16Å; G156-D192 PolarHBondContact N-OD2 3.03Å; G156-D192 VanDerWaalsContact N-OD2 3.15Å
157	S	94.9	Very high	96.7	Very high	10 Å²	10	55.5 Å²	55.5	7%	0.07	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-59.5	-30.2	176.2	64.5	0	0	0	0	113.1	G154 S155 Y159 T160 Y161	G154-S157 WeakPolarHBondContact O-CB 3.44Å; G154-S157 PolarHBondContact O-N 3.05Å; G154-S157 VanDerWaalsContact O-N 3.13Å; G154-S157 PolarHBondContact O-OG 2.95Å; S155-S157 VanDerWaalsContact C-N 3.3Å; S155-S157 PolarHBondContact O-N 2.92Å; S157-Y159 PolarHBondContact O-N 2.97Å; S157-Y159 VanDerWaalsContact O-N 3.08Å; S157-T160 PolarHBondContact O-N 3.31Å; S157-T160 PolarHBondContact O-OG1 3.25Å; S157-Y161 VanDerWaalsContact O-CD2 3.29Å; S157-Y161 WeakPolarHBondContact O-CD2 3.36Å; S157-Y161 PolarHBondContact O-N 2.85Å
158	T	94.9	Very high	96.7	Very high	99 Å²	99	53.3 Å²	53.3	61%	0.607	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-53.8	-33.7	177	-48.5	0	0	0	0	112.4	S155 G156 T160	S155-T158 PolarHBondContact O-OG1 2.79Å; G156-T158 PolarHBondContact O-N 2.83Å; T158-T160 VanDerWaalsContact C-N 3.33Å
159	Y	95.9	Very high	96.6	Very high	122 Å²	122	54.7 Å²	54.7	48%	0.478	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-85.8	-4.7	-177.1	-59	-86.5	0	0	0	113.5	G156 S157 R191 D192	G156-Y159 PolarHBondContact O-N 2.84Å; G156-Y159 VanDerWaalsContact O-N 3.13Å; S157-Y159 PolarHBondContact O-N 2.97Å; S157-Y159 VanDerWaalsContact O-N 3.08Å; Y159-R191 HydrophobicContact CD1-CB 3.42Å; Y159-R191 VanDerWaalsContact CD1-CB 3.42Å; Y159-R191 HydrophobicContact CD1-CG 4.27Å; Y159-R191 HydrophobicContact CD2-CB 4.44Å; Y159-R191 HydrophobicContact CE1-CB 3.8Å; Y159-R191 HydrophobicContact CG-CB 3.77Å; Y159-D192 HydrophobicContact CD2-CB 3.79Å; Y159-D192 HydrophobicContact CE2-CB 3.58Å
160	T	96.9	Very high	96.4	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-8.9	-173.1	65.4	0	0	0	0	113.9	I152 S157 T158 G162 Y163 V164 G184 A188	I152-T160 WeakPolarHBondContact CD1-OG1 3.28Å; S157-T160 PolarHBondContact O-N 3.31Å; S157-T160 PolarHBondContact O-OG1 3.25Å; T158-T160 VanDerWaalsContact C-N 3.33Å; T160-G162 PolarHBondContact O-N 2.98Å; T160-Y163 WeakPolarHBondContact O-CA 3.46Å; T160-Y163 WeakPolarHBondContact O-CB 3.21Å; T160-Y163 PolarHBondContact O-N 3.39Å; T160-V164 WeakPolarHBondContact O-CG2 3.2Å; T160-V164 PolarHBondContact O-N 3.23Å; T160-G184 WeakPolarHBondContact CG2-O 3.49Å; T160-A188 HydrophobicContact CG2-CB 3.79Å
161	Y	96.7	Very high	96	Very high	121 Å²	121	62.5 Å²	62.5	48%	0.475	34%	0.336	S	S	.	.	H	α-helix	trans	-51.7	-52.4	178.9	-82.2	-77.3	0	0	0	113.2	I152 S157 Y163 V164 D165	I152-Y161 HydrophobicContact CD1-CD1 3.76Å; I152-Y161 HydrophobicContact CD1-CD2 4.01Å; I152-Y161 HydrophobicContact CD1-CE1 3.77Å; I152-Y161 HydrophobicContact CD1-CE2 4.02Å; I152-Y161 HydrophobicContact CD1-CG 3.87Å; I152-Y161 HydrophobicContact CG1-CE1 4.19Å; S157-Y161 VanDerWaalsContact O-CD2 3.29Å; S157-Y161 WeakPolarHBondContact O-CD2 3.36Å; S157-Y161 PolarHBondContact O-N 2.85Å; Y161-Y163 PolarHBondContact O-N 2.99Å; Y161-V164 WeakPolarHBondContact O-CA 3.11Å; Y161-V164 WeakPolarHBondContact O-CB 3.5Å; Y161-V164 PolarHBondContact O-N 2.87Å; Y161-D165 WeakPolarHBondContact O-CB 3.35Å; Y161-D165 VanDerWaalsContact O-CG 3.27Å; Y161-D165 PolarHBondContact O-N 2.87Å
162	G	97.8	Very high	96	Very high	54 Å²	54	62.7 Å²	62.7	56%	0.557	34%	0.337	S	S	*	.	H	α-helix	trans	-62.7	-30.5	179.4	0	0	0	0	0	113.8	T160 H166	T160-G162 PolarHBondContact O-N 2.98Å; G162-H166 WeakPolarHBondContact O-CB 3.34Å; G162-H166 PolarHBondContact O-N 3.49Å
163	Y	97.8	Very high	95.9	Very high	62 Å²	62	64.8 Å²	64.8	24%	0.243	35%	0.35	C	S	.	.	H	α-helix	trans	-70.5	-40.8	173.2	174.2	-105.8	0	0	0	111.6	T160 Y161 G167 F180 K183 L187	T160-Y163 WeakPolarHBondContact O-CA 3.46Å; T160-Y163 WeakPolarHBondContact O-CB 3.21Å; T160-Y163 PolarHBondContact O-N 3.39Å; Y161-Y163 PolarHBondContact O-N 2.99Å; Y163-G167 WeakPolarHBondContact O-CA 3.41Å; Y163-G167 PolarHBondContact O-N 3.37Å; Y163-F180 AromaticContact CD1-CE2 3.94Å; Y163-F180 HydrophobicContact CD1-CE2 3.94Å; Y163-F180 HydrophobicContact CD1-CZ 4.36Å; Y163-F180 AromaticContact CE1-CD2 3.52Å; Y163-F180 HydrophobicContact CE1-CD2 3.52Å; Y163-F180 AromaticContact CE1-CE2 3.33Å; Y163-F180 HydrophobicContact CE1-CE2 3.33Å; Y163-F180 HydrophobicContact CE1-CG 4.27Å; Y163-F180 HydrophobicContact CE1-CZ 4.03Å; Y163-F180 WeakPolarHBondContact CE1-O 3.37Å; Y163-F180 HydrophobicContact CE2-CD2 4.4Å; Y163-F180 HydrophobicContact CE2-CE2 4.2Å; Y163-F180 AromaticContact CZ-CD2 3.44Å; Y163-F180 VanDerWaalsContact CZ-CD2 3.44Å; Y163-F180 AromaticContact CZ-CE2 3.49Å; Y163-F180 VanDerWaalsContact CZ-CE2 3.49Å; Y163-F180 WeakPolarHBondContact OH-CD2 3.31Å; Y163-F180 PolarHBondContact OH-O 2.96Å; Y163-K183 HydrophobicContact CE1-CB 4.4Å; Y163-K183 VanDerWaalsContact OH-CB 3.32Å; Y163-K183 WeakPolarHBondContact OH-CB 3.48Å; Y163-L187 HydrophobicContact CD1-CD1 4.02Å; Y163-L187 HydrophobicContact CD2-CD1 3.65Å; Y163-L187 HydrophobicContact CE1-CD1 4.46Å; Y163-L187 HydrophobicContact CE2-CD1 4.15Å; Y163-L187 HydrophobicContact CG-CD1 3.58Å
164	V	98.1	Very high	96	Very high	12 Å²	12	67.6 Å²	67.6	7%	0.073	36%	0.357	C	S	.	.	H	α-helix	trans	-64	-52.4	175.8	169.4	0	0	0	0	111.1	F29 I150 I152 T160 Y161 H166 G167 F168	F29-V164 HydrophobicContact CE1-CG2 4.46Å; F29-V164 HydrophobicContact CE2-CG2 3.76Å; F29-V164 HydrophobicContact CZ-CG2 3.48Å; F29-V164 VanDerWaalsContact CZ-CG2 3.48Å; I150-V164 HydrophobicContact CD1-CB 4.48Å; I150-V164 HydrophobicContact CD1-CG1 3.66Å; I150-V164 HydrophobicContact CD1-CG2 4.1Å; I150-V164 HydrophobicContact CG1-CG1 4.14Å; I150-V164 HydrophobicContact CG2-CG1 4.42Å; I152-V164 HydrophobicContact CD1-CG2 4.13Å; I152-V164 HydrophobicContact CG2-CG2 3.91Å; T160-V164 WeakPolarHBondContact O-CG2 3.2Å; T160-V164 PolarHBondContact O-N 3.23Å; Y161-V164 WeakPolarHBondContact O-CA 3.11Å; Y161-V164 WeakPolarHBondContact O-CB 3.5Å; Y161-V164 PolarHBondContact O-N 2.87Å; V164-H166 VanDerWaalsContact C-N 3.25Å; V164-H166 PolarHBondContact O-N 2.64Å; V164-G167 PolarHBondContact O-N 2.84Å; V164-F168 HydrophobicContact CG1-CB 4.41Å; V164-F168 WeakPolarHBondContact O-CB 3.4Å; V164-F168 PolarHBondContact O-N 2.89Å
165	D	97.2	Very high	96.2	Very high	128 Å²	128	71.9 Å²	71.9	68%	0.684	37%	0.37	S	S	*	.	H	α-helix	trans	-59.6	-37.2	-176.3	-68.3	-18.5	0	0	0	112.1	Y161	Y161-D165 WeakPolarHBondContact O-CB 3.35Å; Y161-D165 VanDerWaalsContact O-CG 3.27Å; Y161-D165 PolarHBondContact O-N 2.87Å
166	H	97.2	Very high	96.4	Very high	178 Å²	178	73.5 Å²	73.5	82%	0.824	37%	0.373	S	S	*	.	H	α-helix	trans	-82.6	-39.1	178.2	-177.9	-78.9	0	0	0	113.1	G162 V164	G162-H166 WeakPolarHBondContact O-CB 3.34Å; G162-H166 PolarHBondContact O-N 3.49Å; V164-H166 VanDerWaalsContact C-N 3.25Å; V164-H166 PolarHBondContact O-N 2.64Å
167	G	95.7	Very high	96.5	Very high	24 Å²	24	73.5 Å²	73.5	25%	0.247	37%	0.373	C	S	.	.	H	α-helix	trans	-97.4	-22.8	-166.8	0	0	0	0	0	115.3	Y163 V164 R169 M172	Y163-G167 WeakPolarHBondContact O-CA 3.41Å; Y163-G167 PolarHBondContact O-N 3.37Å; V164-G167 PolarHBondContact O-N 2.84Å; G167-R169 PolarHBondContact O-N 2.63Å; G167-M172 WeakPolarHBondContact O-CE 3.38Å
168	F	97.5	Very high	96.7	Very high	52 Å²	52	74.1 Å²	74.1	23%	0.228	38%	0.376	C	S	.	.			trans	-69.9	132.7	-178.7	174.1	-107.3	0	0	0	111.2	P149 I150 V164 K170 F180	P149-F168 HydrophobicContact CB-CZ 3.86Å; P149-F168 HydrophobicContact CG-CE1 4.12Å; P149-F168 HydrophobicContact CG-CZ 3.85Å; I150-F168 HydrophobicContact CB-CD2 4.01Å; I150-F168 HydrophobicContact CB-CE2 4.05Å; I150-F168 HydrophobicContact CB-CG 4.38Å; I150-F168 HydrophobicContact CB-CZ 4.45Å; I150-F168 HydrophobicContact CD1-CB 4.15Å; I150-F168 HydrophobicContact CD1-CD2 3.83Å; I150-F168 HydrophobicContact CD1-CG 4.13Å; I150-F168 HydrophobicContact CG2-CD1 3.92Å; I150-F168 HydrophobicContact CG2-CD2 4.03Å; I150-F168 HydrophobicContact CG2-CE1 4.03Å; I150-F168 HydrophobicContact CG2-CE2 4.14Å; I150-F168 HydrophobicContact CG2-CG 3.93Å; I150-F168 HydrophobicContact CG2-CZ 4.15Å; V164-F168 HydrophobicContact CG1-CB 4.41Å; V164-F168 WeakPolarHBondContact O-CB 3.4Å; V164-F168 PolarHBondContact O-N 2.89Å; F168-K170 HydrophobicContact CE1-CG 4.46Å; F168-K170 HydrophobicContact CZ-CG 4.32Å; F168-F180 HydrophobicContact CB-CE1 4.13Å; F168-F180 HydrophobicContact CB-CZ 3.99Å; F168-F180 HydrophobicContact CD2-CE1 4.47Å
169	R	95.5	Very high	96.9	Very high	113 Å²	113	71.6 Å²	71.6	43%	0.426	36%	0.363	S	S	.	.			trans	-143.2	141.2	173.1	60.7	-178.7	-171.5	80.1	-12.2	109.6	G167 G171 M172 E176	G167-R169 PolarHBondContact O-N 2.63Å; R169-G171 PolarHBondContact NH1-O 3.13Å; R169-G171 VanDerWaalsContact NH1-O 3.12Å; R169-M172 HydrophobicContact CG-CE 3.85Å; R169-M172 HydrophobicContact CG-CG 3.72Å; R169-M172 WeakPolarHBondContact O-CG 3.4Å; R169-E176 IonicContact CZ-OE1 3.91Å; R169-E176 IonicContact CZ-OE2 2.91Å; R169-E176 IonicContact NH1-OE2 2.61Å; R169-E176 IonicContact NH2-OE1 3.74Å; R169-E176 PolarHBondContact NH2-OE1 2.62Å; R169-E176 IonicContact NH2-OE2 2.72Å; R169-E176 PolarHBondContact NH2-OE2 3.4Å
170	K	93.9	Very high	97	Very high	179 Å²	179	66.3 Å²	66.3	78%	0.778	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	148.4	170	-65.6	-174.6	179	-177.3	0	109.5	F168	F168-K170 HydrophobicContact CE1-CG 4.46Å; F168-K170 HydrophobicContact CZ-CG 4.32Å
171	G	90.4	Very high	97.1	Very high	52 Å²	52	66.3 Å²	66.3	54%	0.536	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	31.4	-179.8	0	0	0	0	0	114	R169	R169-G171 PolarHBondContact NH1-O 3.13Å; R169-G171 VanDerWaalsContact NH1-O 3.12Å
172	M	96.8	Very high	97.2	Very high	8 Å²	8	62.2 Å²	62.2	4%	0.039	33%	0.329	C	S	.	.			trans	-59.4	143.9	161.5	-77.9	178.8	174	0	0	109.5	Y33 D34 G167 R169 E176 C177 F180	Y33-M172 WeakPolarHBondContact CB-O 3.05Å; D34-M172 PolarHBondContact N-O 3.24Å; G167-M172 WeakPolarHBondContact O-CE 3.38Å; R169-M172 HydrophobicContact CG-CE 3.85Å; R169-M172 HydrophobicContact CG-CG 3.72Å; R169-M172 WeakPolarHBondContact O-CG 3.4Å; M172-E176 HydrophobicContact CB-CB 4.2Å; M172-E176 HydrophobicContact CG-CB 4.36Å; M172-C177 HydrophobicContact CB-CB 4.27Å; M172-C177 HydrophobicContact SD-CB 4.5Å; M172-F180 HydrophobicContact CE-CB 4.33Å; M172-F180 HydrophobicContact CE-CD1 3.98Å; M172-F180 HydrophobicContact CE-CD2 4.06Å; M172-F180 HydrophobicContact CE-CE1 4.25Å; M172-F180 HydrophobicContact CE-CE2 4.39Å; M172-F180 HydrophobicContact CE-CG 3.87Å; M172-F180 HydrophobicContact CE-CZ 4.44Å; M172-F180 HydrophobicContact SD-CB 4.29Å; M172-F180 HydrophobicContact SD-CD1 4.16Å; M172-F180 HydrophobicContact SD-CG 4.26Å
173	T	97.5	Very high	97.2	Very high	65 Å²	65	64 Å²	64	40%	0.399	32%	0.321	S	S	.	.			trans	-70.3	166.8	165.3	73.6	0	0	0	0	110.1	E175 E176 C177	T173-E175 VanDerWaalsContact C-N 3.29Å; T173-E175 PolarHBondContact O-N 3.2Å; T173-E176 PolarHBondContact N-OE2 3.18Å; T173-E176 PolarHBondContact O-N 3Å; T173-E176 WeakPolarHBondContact OG1-CG 3.41Å; T173-E176 PolarHBondContact OG1-N 3.22Å; T173-C177 WeakPolarHBondContact O-CB 3.25Å; T173-C177 PolarHBondContact O-N 3.33Å
174	R	97.9	Very high	97.2	Very high	75 Å²	75	61 Å²	61	28%	0.283	31%	0.309	S	S	.	.	H	α-helix	trans	-52.5	-48.7	173.7	178.5	-179.3	167.1	-77.4	-1.9	111.3	Y33 C177 V178 I203 E210	Y33-R174 HydrophobicContact CD2-CB 3.92Å; Y33-R174 HydrophobicContact CE2-CB 3.67Å; Y33-R174 HydrophobicContact CE2-CG 4.11Å; R174-C177 PolarHBondContact O-N 2.69Å; R174-V178 VanDerWaalsContact O-CG2 3.25Å; R174-V178 WeakPolarHBondContact O-CG2 3.31Å; R174-V178 PolarHBondContact O-N 3.34Å; R174-I203 HydrophobicContact CG-CG2 4.14Å; R174-E210 IonicContact CZ-OE2 3.79Å; R174-E210 IonicContact NH2-OE1 2.63Å; R174-E210 PolarHBondContact NH2-OE1 3.14Å; R174-E210 IonicContact NH2-OE2 2.64Å; R174-E210 PolarHBondContact NH2-OE2 2.85Å
175	E	98.1	Very high	97.2	Very high	113 Å²	113	60.4 Å²	60.4	53%	0.528	31%	0.306	S	S	.	.	H	α-helix	trans	-67.6	-39.7	-175.5	-66.6	62.4	-131.3	0	0	111.9	T173 V178 S179	T173-E175 VanDerWaalsContact C-N 3.29Å; T173-E175 PolarHBondContact O-N 3.2Å; E175-V178 PolarHBondContact O-N 2.8Å; E175-S179 WeakPolarHBondContact O-CB 3.45Å; E175-S179 PolarHBondContact O-N 3.15Å
176	E	98	Very high	97.3	Very high	77 Å²	77	54.3 Å²	54.3	36%	0.36	27%	0.273	S	S	.	.	H	α-helix	trans	-64.2	-44.5	175.3	-69.5	176.3	136.1	0	0	111.2	R169 M172 T173 S179 F180	R169-E176 IonicContact CZ-OE1 3.91Å; R169-E176 IonicContact CZ-OE2 2.91Å; R169-E176 IonicContact NH1-OE2 2.61Å; R169-E176 IonicContact NH2-OE1 3.74Å; R169-E176 PolarHBondContact NH2-OE1 2.62Å; R169-E176 IonicContact NH2-OE2 2.72Å; R169-E176 PolarHBondContact NH2-OE2 3.4Å; M172-E176 HydrophobicContact CB-CB 4.2Å; M172-E176 HydrophobicContact CG-CB 4.36Å; T173-E176 PolarHBondContact N-OE2 3.18Å; T173-E176 PolarHBondContact O-N 3Å; T173-E176 WeakPolarHBondContact OG1-CG 3.41Å; T173-E176 PolarHBondContact OG1-N 3.22Å; E176-S179 PolarHBondContact O-N 3.15Å; E176-F180 WeakPolarHBondContact O-CB 3.31Å; E176-F180 PolarHBondContact O-N 2.96Å
177	C	98.4	Very high	97.3	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-43.7	177.9	-170.1	0	0	0	0	111.6	C31 Y33 V38 M172 T173 R174 S179 F180 V181	C31-C177 PolarHBondContact O-SG 3.31Å; Y33-C177 HydrophobicContact CD1-CB 4.29Å; Y33-C177 HydrophobicContact CG-CB 4.24Å; V38-C177 HydrophobicContact CG2-CB 4.08Å; M172-C177 HydrophobicContact CB-CB 4.27Å; M172-C177 HydrophobicContact SD-CB 4.5Å; T173-C177 WeakPolarHBondContact O-CB 3.25Å; T173-C177 PolarHBondContact O-N 3.33Å; R174-C177 PolarHBondContact O-N 2.69Å; C177-S179 PolarHBondContact O-N 3.41Å; C177-F180 WeakPolarHBondContact O-CB 3.38Å; C177-F180 PolarHBondContact O-N 3.1Å; C177-V181 WeakPolarHBondContact O-CG2 3.5Å; C177-V181 PolarHBondContact O-N 2.62Å
178	V	98.6	Very high	97.4	Very high	23 Å²	23	46.8 Å²	46.8	14%	0.139	23%	0.233	C	C	.	.	H	α-helix	trans	-58	-48.2	173.6	170.8	0	0	0	0	111.2	V38 R174 E175 F180 L182 L201 I203 I212	V38-V178 HydrophobicContact CG1-CG2 4.34Å; V38-V178 HydrophobicContact CG2-CG2 3.87Å; R174-V178 VanDerWaalsContact O-CG2 3.25Å; R174-V178 WeakPolarHBondContact O-CG2 3.31Å; R174-V178 PolarHBondContact O-N 3.34Å; E175-V178 PolarHBondContact O-N 2.8Å; V178-F180 VanDerWaalsContact C-N 3.3Å; V178-F180 PolarHBondContact O-N 2.92Å; V178-L182 VanDerWaalsContact O-CB 3.31Å; V178-L182 WeakPolarHBondContact O-CB 3.33Å; V178-L182 PolarHBondContact O-N 3.26Å; V178-L201 HydrophobicContact CG1-CD1 4.07Å; V178-I203 HydrophobicContact CG2-CD1 3.4Å; V178-I203 VanDerWaalsContact CG2-CD1 3.4Å; V178-I203 HydrophobicContact CG2-CG1 3.76Å; V178-I212 HydrophobicContact CG1-CD1 4.29Å
179	S	98.2	Very high	97.4	Very high	46 Å²	46	45.9 Å²	45.9	32%	0.322	23%	0.23	S	C	.	.	H	α-helix	trans	-62.3	-40.1	177.7	-166.7	0	0	0	0	111.8	E175 E176 C177 K183	E175-S179 WeakPolarHBondContact O-CB 3.45Å; E175-S179 PolarHBondContact O-N 3.15Å; E176-S179 PolarHBondContact O-N 3.15Å; C177-S179 PolarHBondContact O-N 3.41Å; S179-K183 WeakPolarHBondContact O-CB 3.29Å; S179-K183 VanDerWaalsContact O-CG 3.25Å; S179-K183 WeakPolarHBondContact O-CG 3.36Å; S179-K183 PolarHBondContact O-N 3.46Å; S179-K183 WeakPolarHBondContact OG-CE 3.41Å; S179-K183 PolarHBondContact OG-NZ 2.9Å
180	F	98.5	Very high	97.4	Very high	11 Å²	11	42.7 Å²	42.7	5%	0.048	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-49.3	-179.3	-173.6	-115.7	0	0	0	111.8	F29 I150 Y163 F168 M172 E176 C177 V178 K183 G184	F29-F180 HydrophobicContact CE1-CD1 4.15Å; F29-F180 HydrophobicContact CE1-CE1 4.04Å; F29-F180 HydrophobicContact CZ-CD1 4.25Å; F29-F180 AromaticContact CZ-CE1 3.91Å; F29-F180 HydrophobicContact CZ-CE1 3.91Å; F29-F180 HydrophobicContact CZ-CZ 4.4Å; I150-F180 HydrophobicContact CD1-CD1 4.47Å; I150-F180 HydrophobicContact CD1-CE1 3.54Å; I150-F180 HydrophobicContact CD1-CZ 4.34Å; Y163-F180 AromaticContact CD1-CE2 3.94Å; Y163-F180 HydrophobicContact CD1-CE2 3.94Å; Y163-F180 HydrophobicContact CD1-CZ 4.36Å; Y163-F180 AromaticContact CE1-CD2 3.52Å; Y163-F180 HydrophobicContact CE1-CD2 3.52Å; Y163-F180 AromaticContact CE1-CE2 3.33Å; Y163-F180 HydrophobicContact CE1-CE2 3.33Å; Y163-F180 HydrophobicContact CE1-CG 4.27Å; Y163-F180 HydrophobicContact CE1-CZ 4.03Å; Y163-F180 WeakPolarHBondContact CE1-O 3.37Å; Y163-F180 HydrophobicContact CE2-CD2 4.4Å; Y163-F180 HydrophobicContact CE2-CE2 4.2Å; Y163-F180 AromaticContact CZ-CD2 3.44Å; Y163-F180 VanDerWaalsContact CZ-CD2 3.44Å; Y163-F180 AromaticContact CZ-CE2 3.49Å; Y163-F180 VanDerWaalsContact CZ-CE2 3.49Å; Y163-F180 WeakPolarHBondContact OH-CD2 3.31Å; Y163-F180 PolarHBondContact OH-O 2.96Å; F168-F180 HydrophobicContact CB-CE1 4.13Å; F168-F180 HydrophobicContact CB-CZ 3.99Å; F168-F180 HydrophobicContact CD2-CE1 4.47Å; M172-F180 HydrophobicContact CE-CB 4.33Å; M172-F180 HydrophobicContact CE-CD1 3.98Å; M172-F180 HydrophobicContact CE-CD2 4.06Å; M172-F180 HydrophobicContact CE-CE1 4.25Å; M172-F180 HydrophobicContact CE-CE2 4.39Å; M172-F180 HydrophobicContact CE-CG 3.87Å; M172-F180 HydrophobicContact CE-CZ 4.44Å; M172-F180 HydrophobicContact SD-CB 4.29Å; M172-F180 HydrophobicContact SD-CD1 4.16Å; M172-F180 HydrophobicContact SD-CG 4.26Å; E176-F180 WeakPolarHBondContact O-CB 3.31Å; E176-F180 PolarHBondContact O-N 2.96Å; C177-F180 WeakPolarHBondContact O-CB 3.38Å; C177-F180 PolarHBondContact O-N 3.1Å; V178-F180 VanDerWaalsContact C-N 3.3Å; V178-F180 PolarHBondContact O-N 2.92Å; F180-K183 PolarHBondContact O-N 2.98Å; F180-G184 PolarHBondContact O-N 2.81Å
181	V	98.8	Very high	97.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.5	-45.9	176.8	176.5	0	0	0	0	111	F29 C31 V38 C177 K183 G184 V185 L201	F29-V181 HydrophobicContact CB-CG1 4.09Å; F29-V181 HydrophobicContact CD1-CB 4.29Å; F29-V181 HydrophobicContact CD1-CG1 4.14Å; F29-V181 HydrophobicContact CD1-CG2 3.85Å; F29-V181 HydrophobicContact CE1-CG2 4.14Å; F29-V181 HydrophobicContact CG-CG1 4.3Å; C31-V181 HydrophobicContact CB-CG2 3.79Å; V38-V181 HydrophobicContact CB-CG2 4Å; V38-V181 HydrophobicContact CG1-CB 3.97Å; V38-V181 HydrophobicContact CG1-CG1 4.15Å; V38-V181 HydrophobicContact CG1-CG2 3.9Å; C177-V181 WeakPolarHBondContact O-CG2 3.5Å; C177-V181 PolarHBondContact O-N 2.62Å; V181-K183 PolarHBondContact O-N 2.97Å; V181-G184 PolarHBondContact O-N 3.43Å; V181-V185 WeakPolarHBondContact O-CG2 3.19Å; V181-V185 PolarHBondContact O-N 2.83Å; V181-L201 HydrophobicContact CG1-CD2 3.73Å
182	L	98.7	Very high	97.6	Very high	35 Å²	35	39 Å²	39	18%	0.183	19%	0.187	C	C	.	.	H	α-helix	trans	-57.7	-48.7	178.1	176.8	57.4	0	0	0	111.9	V178 V185 A186 V199 L201 T214	V178-L182 VanDerWaalsContact O-CB 3.31Å; V178-L182 WeakPolarHBondContact O-CB 3.33Å; V178-L182 PolarHBondContact O-N 3.26Å; L182-V185 PolarHBondContact O-N 3.32Å; L182-A186 VanDerWaalsContact O-CB 3.31Å; L182-A186 WeakPolarHBondContact O-CB 3.26Å; L182-A186 PolarHBondContact O-N 3.44Å; L182-V199 HydrophobicContact CD1-CB 3.91Å; L182-V199 HydrophobicContact CD1-CG1 3.77Å; L182-V199 HydrophobicContact CD1-CG2 4.14Å; L182-L201 HydrophobicContact CB-CD1 4.19Å; L182-T214 HydrophobicContact CD1-CG2 4.33Å; L182-T214 WeakPolarHBondContact CD1-OG1 3.15Å
183	K	98.2	Very high	97.3	Very high	90 Å²	90	41.6 Å²	41.6	39%	0.391	22%	0.216	S	C	.	.	H	α-helix	trans	-64.9	-40.8	178.5	-75.2	171.9	-177.6	167.7	0	111.6	Y163 S179 F180 V181 A186 L187	Y163-K183 HydrophobicContact CE1-CB 4.4Å; Y163-K183 VanDerWaalsContact OH-CB 3.32Å; Y163-K183 WeakPolarHBondContact OH-CB 3.48Å; S179-K183 WeakPolarHBondContact O-CB 3.29Å; S179-K183 VanDerWaalsContact O-CG 3.25Å; S179-K183 WeakPolarHBondContact O-CG 3.36Å; S179-K183 PolarHBondContact O-N 3.46Å; S179-K183 WeakPolarHBondContact OG-CE 3.41Å; S179-K183 PolarHBondContact OG-NZ 2.9Å; F180-K183 PolarHBondContact O-N 2.98Å; V181-K183 PolarHBondContact O-N 2.97Å; K183-A186 PolarHBondContact O-N 2.99Å; K183-L187 WeakPolarHBondContact O-CB 3.44Å; K183-L187 VanDerWaalsContact O-CG 3.27Å; K183-L187 WeakPolarHBondContact O-CG 3.39Å; K183-L187 PolarHBondContact O-N 2.88Å
184	G	98.3	Very high	97.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.9	-50.5	175.1	0	0	0	0	0	112.1	T160 F180 V181 A186 L187 A188	T160-G184 WeakPolarHBondContact CG2-O 3.49Å; F180-G184 PolarHBondContact O-N 2.81Å; V181-G184 PolarHBondContact O-N 3.43Å; G184-A186 PolarHBondContact O-N 3.43Å; G184-L187 PolarHBondContact O-N 3.16Å; G184-A188 PolarHBondContact O-N 3.12Å
185	V	98.6	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.3	-42	176.8	-177.9	0	0	0	0	111.4	T27 F29 D42 V181 L182 L187 A188 I189 V199	T27-V185 HydrophobicContact CG2-CB 4.5Å; T27-V185 HydrophobicContact CG2-CG1 4.39Å; T27-V185 HydrophobicContact CG2-CG2 4.31Å; F29-V185 HydrophobicContact CB-CG2 3.85Å; D42-V185 HydrophobicContact CB-CG1 4.09Å; V181-V185 WeakPolarHBondContact O-CG2 3.19Å; V181-V185 PolarHBondContact O-N 2.83Å; L182-V185 PolarHBondContact O-N 3.32Å; V185-L187 PolarHBondContact O-N 3.23Å; V185-A188 PolarHBondContact O-N 3.27Å; V185-I189 HydrophobicContact CG1-CD1 4.01Å; V185-I189 HydrophobicContact CG1-CG1 4.39Å; V185-I189 WeakPolarHBondContact O-CG1 3.41Å; V185-I189 PolarHBondContact O-N 2.94Å; V185-V199 HydrophobicContact CB-CG1 4.02Å; V185-V199 HydrophobicContact CB-CG2 4.22Å; V185-V199 HydrophobicContact CG1-CB 4.39Å; V185-V199 HydrophobicContact CG1-CG1 3.93Å; V185-V199 HydrophobicContact CG1-CG2 3.71Å; V185-V199 HydrophobicContact CG2-CG1 4.42Å
186	A	98.1	Very high	96.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.6	-43.3	177.9	0	0	0	0	0	112.4	L182 K183 G184 A188 I189 N190 V219 P220 Y222	L182-A186 VanDerWaalsContact O-CB 3.31Å; L182-A186 WeakPolarHBondContact O-CB 3.26Å; L182-A186 PolarHBondContact O-N 3.44Å; K183-A186 PolarHBondContact O-N 2.99Å; G184-A186 PolarHBondContact O-N 3.43Å; A186-A188 VanDerWaalsContact C-N 3.29Å; A186-A188 PolarHBondContact O-N 3.11Å; A186-I189 PolarHBondContact O-N 2.9Å; A186-N190 PolarHBondContact O-N 3.27Å; A186-N190 PolarHBondContact O-ND2 2.97Å; A186-V219 HydrophobicContact CB-CG1 3.76Å; A186-P220 HydrophobicContact CB-CB 4.1Å; A186-P220 HydrophobicContact CB-CG 4.14Å; A186-Y222 HydrophobicContact CB-CE2 4.18Å
187	L	97.6	Very high	96.8	Very high	43 Å²	43	29.1 Å²	29.1	23%	0.225	17%	0.168	C	C	.	.	H	α-helix	trans	-57.8	-43.1	176.2	-77.2	166.9	0	0	0	111.5	Y163 K183 G184 V185 N190 Y222	Y163-L187 HydrophobicContact CD1-CD1 4.02Å; Y163-L187 HydrophobicContact CD2-CD1 3.65Å; Y163-L187 HydrophobicContact CE1-CD1 4.46Å; Y163-L187 HydrophobicContact CE2-CD1 4.15Å; Y163-L187 HydrophobicContact CG-CD1 3.58Å; K183-L187 WeakPolarHBondContact O-CB 3.44Å; K183-L187 VanDerWaalsContact O-CG 3.27Å; K183-L187 WeakPolarHBondContact O-CG 3.39Å; K183-L187 PolarHBondContact O-N 2.88Å; G184-L187 PolarHBondContact O-N 3.16Å; V185-L187 PolarHBondContact O-N 3.23Å; L187-N190 PolarHBondContact O-N 2.91Å; L187-Y222 HydrophobicContact CD2-CD1 4.26Å; L187-Y222 HydrophobicContact CD2-CD2 3.69Å; L187-Y222 HydrophobicContact CD2-CE1 4.16Å; L187-Y222 HydrophobicContact CD2-CE2 3.58Å; L187-Y222 HydrophobicContact CD2-CG 4.03Å; L187-Y222 HydrophobicContact CG-CD2 4.37Å; L187-Y222 HydrophobicContact CG-CE2 3.81Å
188	A	97.5	Very high	96.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.4	-43.9	175.9	0	0	0	0	0	112.4	T27 G156 T160 G184 V185 A186 N190 R191 D192	T27-A188 HydrophobicContact CG2-CB 3.58Å; T27-A188 WeakPolarHBondContact OG1-CB 3.3Å; G156-A188 WeakPolarHBondContact O-CB 3.13Å; T160-A188 HydrophobicContact CG2-CB 3.79Å; G184-A188 PolarHBondContact O-N 3.12Å; V185-A188 PolarHBondContact O-N 3.27Å; A186-A188 VanDerWaalsContact C-N 3.29Å; A186-A188 PolarHBondContact O-N 3.11Å; A188-N190 PolarHBondContact O-N 2.89Å; A188-N190 VanDerWaalsContact O-N 3.17Å; A188-R191 PolarHBondContact O-N 3.22Å; A188-D192 PolarHBondContact O-N 2.89Å
189	I	96.9	Very high	96.7	Very high	33 Å²	33	28.4 Å²	28.4	17%	0.169	16%	0.164	C	C	.	.	H	α-helix	trans	-55.4	-33.4	174.8	-73.8	174.6	0	0	0	111.9	D42 V185 A186 R191 V199 V219	D42-I189 HydrophobicContact CB-CD1 3.84Å; D42-I189 HydrophobicContact CB-CG1 3.85Å; V185-I189 HydrophobicContact CG1-CD1 4.01Å; V185-I189 HydrophobicContact CG1-CG1 4.39Å; V185-I189 WeakPolarHBondContact O-CG1 3.41Å; V185-I189 PolarHBondContact O-N 2.94Å; A186-I189 PolarHBondContact O-N 2.9Å; I189-R191 VanDerWaalsContact C-N 3.29Å; I189-R191 PolarHBondContact O-N 3.36Å; I189-V199 HydrophobicContact CD1-CG2 3.61Å; I189-V219 HydrophobicContact CD1-CG1 4.12Å; I189-V219 HydrophobicContact CG2-CG1 4.26Å
190	N	95.3	Very high	96.8	Very high	47 Å²	47	28.8 Å²	28.8	25%	0.251	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-14.2	179.6	-82	-104	0	0	0	113.6	A186 L187 A188 P220 V221 Y222	A186-N190 PolarHBondContact O-N 3.27Å; A186-N190 PolarHBondContact O-ND2 2.97Å; L187-N190 PolarHBondContact O-N 2.91Å; A188-N190 PolarHBondContact O-N 2.89Å; A188-N190 VanDerWaalsContact O-N 3.17Å; N190-P220 PolarHBondContact ND2-O 3.26Å; N190-V221 WeakPolarHBondContact OD1-CA 3.41Å; N190-V221 WeakPolarHBondContact OD1-CG1 3.49Å; N190-Y222 HydrophobicContact CB-CD2 4.47Å; N190-Y222 PolarHBondContact OD1-N 2.81Å
191	R	95	Very high	96.8	Very high	141 Å²	141	28.3 Å²	28.3	53%	0.532	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	-35.8	-168.9	-60.2	-62	177.3	-174.5	-1.5	115.1	Y159 A188 I189	Y159-R191 HydrophobicContact CD1-CB 3.42Å; Y159-R191 VanDerWaalsContact CD1-CB 3.42Å; Y159-R191 HydrophobicContact CD1-CG 4.27Å; Y159-R191 HydrophobicContact CD2-CB 4.44Å; Y159-R191 HydrophobicContact CE1-CB 3.8Å; Y159-R191 HydrophobicContact CG-CB 3.77Å; A188-R191 PolarHBondContact O-N 3.22Å; I189-R191 VanDerWaalsContact C-N 3.29Å; I189-R191 PolarHBondContact O-N 3.36Å
192	D	94.8	Very high	96.8	Very high	12 Å²	12	28.3 Å²	28.3	6%	0.064	16%	0.157	C	C	.	.			trans	-82.5	120.4	177.7	176.8	25.4	0	0	0	110.7	S155 G156 Y159 A188 S194 S195	S155-D192 PolarHBondContact OG-OD2 3.22Å; G156-D192 WeakPolarHBondContact CA-OD2 3.16Å; G156-D192 PolarHBondContact N-OD2 3.03Å; G156-D192 VanDerWaalsContact N-OD2 3.15Å; Y159-D192 HydrophobicContact CD2-CB 3.79Å; Y159-D192 HydrophobicContact CE2-CB 3.58Å; A188-D192 PolarHBondContact O-N 2.89Å; D192-S194 PolarHBondContact O-N 3.23Å; D192-S194 VanDerWaalsContact O-N 3.14Å; D192-S194 PolarHBondContact OD1-N 3.27Å; D192-S194 PolarHBondContact OD1-OG 3.04Å; D192-S195 PolarHBondContact O-N 3.13Å; D192-S195 VanDerWaalsContact O-N 3.16Å; D192-S195 WeakPolarHBondContact OD2-CB 3.48Å; D192-S195 PolarHBondContact OD2-N 2.87Å; D192-S195 VanDerWaalsContact OD2-N 3.15Å; D192-S195 PolarHBondContact OD2-OG 2.95Å
193	G	91	Very high	96.8	Very high	62 Å²	62	26.9 Å²	26.9	64%	0.639	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.5	177.4	0	0	0	0	0	113.3	R44	R44-G193 PolarHBondContact NH1-O 2.9Å
194	S	92.3	Very high	96.8	Very high	43 Å²	43	22.6 Å²	22.6	30%	0.301	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-14	-177.5	-26.7	0	0	0	0	112.6	G25 R44 D192	G25-S194 CarbonylContact C-O 3.56Å; G25-S194 VanDerWaalsContact CA-O 3.29Å; G25-S194 WeakPolarHBondContact CA-O 3.39Å; G25-S194 VanDerWaalsContact O-O 3.06Å; R44-S194 WeakPolarHBondContact CD-O 3.49Å; D192-S194 PolarHBondContact O-N 3.23Å; D192-S194 VanDerWaalsContact O-N 3.14Å; D192-S194 PolarHBondContact OD1-N 3.27Å; D192-S194 PolarHBondContact OD1-OG 3.04Å
195	S	96	Very high	96.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.134	C	C	.	.			trans	-98	148.1	176.7	-63.5	0	0	0	0	111.8	T27 D42 R44 D192	T27-S195 PolarHBondContact N-OG 3.22Å; T27-S195 PolarHBondContact OG1-OG 3.45Å; D42-S195 VanDerWaalsContact OD2-CA 3.31Å; D42-S195 WeakPolarHBondContact OD2-CA 3.29Å; R44-S195 PolarHBondContact NH1-O 3.08Å; D192-S195 PolarHBondContact O-N 3.13Å; D192-S195 VanDerWaalsContact O-N 3.16Å; D192-S195 WeakPolarHBondContact OD2-CB 3.48Å; D192-S195 PolarHBondContact OD2-N 2.87Å; D192-S195 VanDerWaalsContact OD2-N 3.15Å; D192-S195 PolarHBondContact OD2-OG 2.95Å
196	G	96.2	Very high	96.8	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.01	17%	0.165	C	C	.	.			trans	165.2	-160.8	174.7	0	0	0	0	0	114.7	D42 S43 R44	D42-G196 PolarHBondContact OD2-N 3.43Å; S43-G196 PolarHBondContact N-O 3.19Å; R44-G196 PolarHBondContact N-O 2.84Å
197	G	95.7	Very high	96.7	Very high	25 Å²	25	36.7 Å²	36.7	26%	0.258	20%	0.2	S	C	.	.	S	Bend	trans	81.5	-131.7	-176.3	0	0	0	0	0	110.9	R54 G216	R54-G197 WeakPolarHBondContact O-CA 3.48Å; G197-G216 WeakPolarHBondContact O-CA 3.48Å
198	C	97.3	Very high	96.7	Very high	8 Å²	8	35.6 Å²	35.6	5%	0.054	20%	0.199	C	C	.	.			trans	-103.5	164.8	176.2	59.2	0	0	0	0	111.4	D42 S43 L213 T214	D42-C198 CarbonylContact C-O 3.06Å; D42-C198 WeakPolarHBondContact CA-O 3.43Å; S43-C198 VanDerWaalsContact CB-SG 3.54Å; S43-C198 PolarHBondContact N-O 3.38Å; S43-C198 PolarHBondContact OG-N 3.28Å; S43-C198 PolarHBondContact OG-O 3.46Å; S43-C198 PolarHBondContact OG-SG 3.05Å; C198-L213 HydrophobicContact CB-CD1 3.89Å; C198-L213 VanDerWaalsContact SG-CD1 3.59Å; C198-T214 WeakPolarHBondContact CA-O 3.04Å; C198-T214 WeakPolarHBondContact CB-O 3.38Å
199	V	98.6	Very high	96.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.3	170.2	-178.3	0	0	0	0	109	L182 V185 I189 L201 T214 V219	L182-V199 HydrophobicContact CD1-CB 3.91Å; L182-V199 HydrophobicContact CD1-CG1 3.77Å; L182-V199 HydrophobicContact CD1-CG2 4.14Å; V185-V199 HydrophobicContact CB-CG1 4.02Å; V185-V199 HydrophobicContact CB-CG2 4.22Å; V185-V199 HydrophobicContact CG1-CB 4.39Å; V185-V199 HydrophobicContact CG1-CG1 3.93Å; V185-V199 HydrophobicContact CG1-CG2 3.71Å; V185-V199 HydrophobicContact CG2-CG1 4.42Å; I189-V199 HydrophobicContact CD1-CG2 3.61Å; V199-L201 HydrophobicContact CG1-CD2 3.71Å; V199-L201 HydrophobicContact CG1-CG 4.19Å; V199-T214 PolarHBondContact N-O 3.22Å; V199-T214 PolarHBondContact O-N 3.05Å; V199-V219 HydrophobicContact CG2-CG1 4.3Å; V199-V219 HydrophobicContact CG2-CG2 3.94Å
200	R	98.6	Very high	96.8	Very high	54 Å²	54	40.8 Å²	40.8	20%	0.204	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	130.7	172.4	-65.5	179.7	177.4	-80.8	-1.4	108.6	G40 A41 V55 T56 D57 L59 L213	G40-R200 CarbonylContact C-O 3.57Å; G40-R200 VanDerWaalsContact CA-O 3.24Å; G40-R200 WeakPolarHBondContact CA-O 3.28Å; A41-R200 PolarHBondContact N-O 3.34Å; A41-R200 PolarHBondContact O-N 2.91Å; V55-R200 PolarHBondContact O-NE 2.82Å; V55-R200 PolarHBondContact O-NH2 3.17Å; T56-R200 PolarHBondContact O-NE 2.98Å; D57-R200 VanDerWaalsContact CG-CD 3.47Å; D57-R200 WeakPolarHBondContact OD1-CD 3.16Å; D57-R200 IonicContact OD2-CZ 2.6Å; D57-R200 IonicContact OD2-NH1 3.84Å; L59-R200 HydrophobicContact CD1-CB 4.1Å; L59-R200 WeakPolarHBondContact CD1-O 3.39Å; R200-L213 HydrophobicContact CG-CD1 3.94Å
201	L	98.8	Very high	97	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	150.4	173.9	-49.9	177.6	0	0	0	111	I39 G40 V178 V181 L182 V199 R211 I212	I39-L201 CarbonylContact O-C 3.53Å; I39-L201 WeakPolarHBondContact O-CA 3.5Å; G40-L201 VanDerWaalsContact CA-CD2 3.47Å; V178-L201 HydrophobicContact CG1-CD1 4.07Å; V181-L201 HydrophobicContact CG1-CD2 3.73Å; L182-L201 HydrophobicContact CB-CD1 4.19Å; V199-L201 HydrophobicContact CG1-CD2 3.71Å; V199-L201 HydrophobicContact CG1-CG 4.19Å; L201-R211 WeakPolarHBondContact O-CA 3.15Å; L201-R211 PolarHBondContact O-NH1 3.26Å; L201-I212 HydrophobicContact CB-CB 4.2Å; L201-I212 PolarHBondContact N-O 3.38Å; L201-I212 PolarHBondContact O-N 3.27Å
202	A	98.8	Very high	97.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.7	159.5	0	0	0	0	0	109.6	V38 I39 I204 V209 E210	V38-A202 WeakPolarHBondContact CA-O 3.44Å; I39-A202 HydrophobicContact CD1-CB 4.02Å; I39-A202 HydrophobicContact CG1-CB 3.66Å; I39-A202 PolarHBondContact N-O 3.3Å; I39-A202 PolarHBondContact O-N 3.43Å; A202-I204 HydrophobicContact CB-CD1 4.49Å; A202-I204 HydrophobicContact CB-CG1 4.23Å; A202-V209 HydrophobicContact CB-CG1 4.21Å; A202-E210 CarbonylContact C-O 3.53Å; A202-E210 VanDerWaalsContact CA-O 3.3Å; A202-E210 WeakPolarHBondContact CA-O 3.49Å
203	I	98.8	Very high	97.3	Very high	4 Å²	4	42 Å²	42	2%	0.021	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.6	170.5	-50.7	169	0	0	0	106	Y33 V38 R174 V178 V209 E210 I212	Y33-I203 HydrophobicContact CE1-CG2 3.98Å; V38-I203 HydrophobicContact CG2-CG1 4.25Å; V38-I203 HydrophobicContact CG2-CG2 4.28Å; R174-I203 HydrophobicContact CG-CG2 4.14Å; V178-I203 HydrophobicContact CG2-CD1 3.4Å; V178-I203 VanDerWaalsContact CG2-CD1 3.4Å; V178-I203 HydrophobicContact CG2-CG1 3.76Å; I203-V209 WeakPolarHBondContact O-CA 3.36Å; I203-E210 HydrophobicContact CB-CB 4.34Å; I203-E210 PolarHBondContact N-O 3.32Å; I203-E210 PolarHBondContact O-N 3.25Å; I203-I212 HydrophobicContact CD1-CD1 3.69Å
204	I	98.8	Very high	97.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	119.7	-172.2	-50.2	170.4	0	0	0	108.4	G36 V37 I39 S65 Y67 W128 A202 V209	G36-I204 CarbonylContact C-O 3.58Å; G36-I204 VanDerWaalsContact CA-O 3.25Å; G36-I204 WeakPolarHBondContact CA-O 3.27Å; V37-I204 HydrophobicContact CG2-CB 3.74Å; V37-I204 HydrophobicContact CG2-CD1 4.05Å; V37-I204 HydrophobicContact CG2-CG1 4.25Å; V37-I204 PolarHBondContact N-O 3.12Å; V37-I204 PolarHBondContact O-N 3.32Å; I39-I204 HydrophobicContact CD1-CD1 4.02Å; I39-I204 HydrophobicContact CG1-CD1 4.42Å; S65-I204 VanDerWaalsContact O-CG2 3.26Å; S65-I204 WeakPolarHBondContact O-CG2 3.3Å; Y67-I204 HydrophobicContact CD2-CD1 3.75Å; Y67-I204 HydrophobicContact CD2-CG1 4.47Å; Y67-I204 HydrophobicContact CG-CD1 4.15Å; W128-I204 HydrophobicContact CB-CG2 4Å; A202-I204 HydrophobicContact CB-CD1 4.49Å; A202-I204 HydrophobicContact CB-CG1 4.23Å; I204-V209 HydrophobicContact CG1-CG1 4.28Å; I204-V209 HydrophobicContact CG1-CG2 4.22Å; I204-V209 HydrophobicContact CG2-CG2 4.08Å
205	S	98.3	Very high	97.9	Very high	13 Å²	13	43.4 Å²	43.4	9%	0.091	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	-177.4	179.2	74.3	0	0	0	0	111.1	G35 D207 G208	G35-S205 WeakPolarHBondContact O-CB 3.4Å; S205-D207 PolarHBondContact O-N 3.42Å; S205-D207 PolarHBondContact OG-N 2.83Å; S205-D207 VanDerWaalsContact OG-N 3.17Å; S205-G208 PolarHBondContact N-O 3.29Å; S205-G208 PolarHBondContact O-N 3.47Å; S205-G208 VanDerWaalsContact O-N 3.11Å
206	K	97.5	Very high	97.9	Very high	145 Å²	145	45.5 Å²	45.5	63%	0.63	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-29.7	170.5	74.6	-178.1	-175.3	175.7	0	113.6	W128 G208	W128-K206 HydrophobicContact CD2-CB 4.11Å; W128-K206 HydrophobicContact CE3-CB 4.37Å; W128-K206 HydrophobicContact CH2-CB 3.63Å; W128-K206 HydrophobicContact CZ2-CB 3.32Å; W128-K206 HydrophobicContact CZ3-CB 4.15Å; K206-G208 VanDerWaalsContact C-N 3.28Å; K206-G208 PolarHBondContact O-N 3.5Å
207	D	96.9	Very high	97.8	Very high	139 Å²	139	52.2 Å²	52.2	74%	0.743	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-7.9	-175.3	-53.2	-56.8	0	0	0	111.9	S205	S205-D207 PolarHBondContact O-N 3.42Å; S205-D207 PolarHBondContact OG-N 2.83Å; S205-D207 VanDerWaalsContact OG-N 3.17Å
208	G	97.5	Very high	97.9	Very high	19 Å²	19	55.8 Å²	55.8	20%	0.196	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	124.3	-153.1	176.8	0	0	0	0	0	113.1	S205 K206	S205-G208 PolarHBondContact N-O 3.29Å; S205-G208 PolarHBondContact O-N 3.47Å; S205-G208 VanDerWaalsContact O-N 3.11Å; K206-G208 VanDerWaalsContact C-N 3.28Å; K206-G208 PolarHBondContact O-N 3.5Å
209	V	98.6	Very high	97.9	Very high	48 Å²	48	55.8 Å²	55.8	29%	0.291	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.2	-175.8	-178.1	0	0	0	0	110.2	K64 Y67 A202 I203 I204	K64-V209 WeakPolarHBondContact O-CG2 3.15Å; Y67-V209 HydrophobicContact CE2-CB 4.4Å; Y67-V209 HydrophobicContact CE2-CG1 3.75Å; Y67-V209 HydrophobicContact CE2-CG2 3.99Å; A202-V209 HydrophobicContact CB-CG1 4.21Å; I203-V209 WeakPolarHBondContact O-CA 3.36Å; I204-V209 HydrophobicContact CG1-CG1 4.28Å; I204-V209 HydrophobicContact CG1-CG2 4.22Å; I204-V209 HydrophobicContact CG2-CG2 4.08Å
210	E	98.5	Very high	97.8	Very high	94 Å²	94	58 Å²	58	44%	0.439	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.8	172.3	-175.5	-176.8	152.4	0	0	110.2	R174 A202 I203	R174-E210 IonicContact CZ-OE2 3.79Å; R174-E210 IonicContact NH2-OE1 2.63Å; R174-E210 PolarHBondContact NH2-OE1 3.14Å; R174-E210 IonicContact NH2-OE2 2.64Å; R174-E210 PolarHBondContact NH2-OE2 2.85Å; A202-E210 CarbonylContact C-O 3.53Å; A202-E210 VanDerWaalsContact CA-O 3.3Å; A202-E210 WeakPolarHBondContact CA-O 3.49Å; I203-E210 HydrophobicContact CB-CB 4.34Å; I203-E210 PolarHBondContact N-O 3.32Å; I203-E210 PolarHBondContact O-N 3.25Å
211	R	98.4	Very high	97.6	Very high	86 Å²	86	59.5 Å²	59.5	33%	0.325	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.7	-179.9	-64.2	-72.3	-71.9	167.4	-4.7	109.8	D57 L59 L201	D57-R211 IonicContact OD1-NH2 3.44Å; D57-R211 PolarHBondContact OD1-NH2 2.98Å; D57-R211 IonicContact OD2-CZ 2.75Å; D57-R211 IonicContact OD2-NH2 3.55Å; D57-R211 PolarHBondContact OD2-NH2 3.43Å; L59-R211 VanDerWaalsContact CB-NH1 3.35Å; L201-R211 WeakPolarHBondContact O-CA 3.15Å; L201-R211 PolarHBondContact O-NH1 3.26Å
212	I	98.4	Very high	97.2	Very high	56 Å²	56	63.4 Å²	63.4	29%	0.287	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	137	176.2	-56.8	175.8	0	0	0	109	V178 L201 I203	V178-I212 HydrophobicContact CG1-CD1 4.29Å; L201-I212 HydrophobicContact CB-CB 4.2Å; L201-I212 PolarHBondContact N-O 3.38Å; L201-I212 PolarHBondContact O-N 3.27Å; I203-I212 HydrophobicContact CD1-CD1 3.69Å
213	L	98.3	Very high	96.7	Very high	85 Å²	85	72.7 Å²	72.7	45%	0.445	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.5	174.7	176.3	67.6	0	0	0	109	C198 R200	C198-L213 HydrophobicContact CB-CD1 3.89Å; C198-L213 VanDerWaalsContact SG-CD1 3.59Å; R200-L213 HydrophobicContact CG-CD1 3.94Å
214	T	98.4	Very high	96	Very high	17 Å²	17	82 Å²	82	10%	0.104	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	112.4	166.6	-54.5	0	0	0	0	107.7	L182 C198 V199 E218 V219	L182-T214 HydrophobicContact CD1-CG2 4.33Å; L182-T214 WeakPolarHBondContact CD1-OG1 3.15Å; C198-T214 WeakPolarHBondContact CA-O 3.04Å; C198-T214 WeakPolarHBondContact CB-O 3.38Å; V199-T214 PolarHBondContact N-O 3.22Å; V199-T214 PolarHBondContact O-N 3.05Å; T214-E218 HydrophobicContact CG2-CB 3.73Å; T214-E218 WeakPolarHBondContact CG2-O 3.32Å; T214-V219 HydrophobicContact CG2-CG2 4.26Å
215	K	97.7	Very high	94.8	Very high	116 Å²	116	90 Å²	90	50%	0.504	46%	0.463	S	S	.	.			trans	-64.3	159.7	-178	-60.8	175	-171.1	159.2	0	110.7	D217 E218 V219	K215-D217 VanDerWaalsContact C-N 3.25Å; K215-D217 WeakPolarHBondContact CB-OD1 3.43Å; K215-D217 PolarHBondContact O-N 2.75Å; K215-E218 HydrophobicContact CB-CB 4.48Å; K215-E218 HydrophobicContact CB-CG 4.14Å; K215-E218 WeakPolarHBondContact CB-OE2 3.27Å; K215-E218 WeakPolarHBondContact CG-OE2 3.5Å; K215-E218 PolarHBondContact N-OE2 2.94Å; K215-E218 IonicContact NZ-OE1 3.97Å; K215-E218 CarbonylContact O-C 3.47Å; K215-E218 WeakPolarHBondContact O-CA 3.42Å; K215-E218 WeakPolarHBondContact O-CB 3.41Å; K215-E218 PolarHBondContact O-N 3.31Å; K215-V219 WeakPolarHBondContact O-CG2 3.48Å; K215-V219 PolarHBondContact O-N 3.05Å; K215-V219 VanDerWaalsContact O-N 3.11Å
216	G	95.2	Very high	94.6	Very high	44 Å²	44	93.9 Å²	93.9	45%	0.454	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-33.6	-172.9	0	0	0	0	0	114.5	G197 E218	G197-G216 WeakPolarHBondContact O-CA 3.48Å; G216-E218 VanDerWaalsContact C-N 3.31Å
217	D	95.5	Very high	94.5	Very high	142 Å²	142	91.2 Å²	91.2	76%	0.759	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-16.8	174	56.1	-34.8	0	0	0	113.8	K215	K215-D217 VanDerWaalsContact C-N 3.25Å; K215-D217 WeakPolarHBondContact CB-OD1 3.43Å; K215-D217 PolarHBondContact O-N 2.75Å
218	E	97.1	Very high	94.3	Very high	100 Å²	100	88.5 Å²	88.5	47%	0.467	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-8.4	177.2	-59.9	165.5	169.8	0	0	112.2	T214 K215 G216 P220	T214-E218 HydrophobicContact CG2-CB 3.73Å; T214-E218 WeakPolarHBondContact CG2-O 3.32Å; K215-E218 HydrophobicContact CB-CB 4.48Å; K215-E218 HydrophobicContact CB-CG 4.14Å; K215-E218 WeakPolarHBondContact CB-OE2 3.27Å; K215-E218 WeakPolarHBondContact CG-OE2 3.5Å; K215-E218 PolarHBondContact N-OE2 2.94Å; K215-E218 IonicContact NZ-OE1 3.97Å; K215-E218 CarbonylContact O-C 3.47Å; K215-E218 WeakPolarHBondContact O-CA 3.42Å; K215-E218 WeakPolarHBondContact O-CB 3.41Å; K215-E218 PolarHBondContact O-N 3.31Å; G216-E218 VanDerWaalsContact C-N 3.31Å; E218-P220 WeakPolarHBondContact O-CD 3.43Å
219	V	97.5	Very high	94.2	Very high	9 Å²	9	92.6 Å²	92.6	6%	0.055	47%	0.474	C	S	.	.	S	Bend	trans	-66	127.7	178.5	179.3	0	0	0	0	109.5	A186 I189 V199 T214 K215 V221	A186-V219 HydrophobicContact CB-CG1 3.76Å; I189-V219 HydrophobicContact CD1-CG1 4.12Å; I189-V219 HydrophobicContact CG2-CG1 4.26Å; V199-V219 HydrophobicContact CG2-CG1 4.3Å; V199-V219 HydrophobicContact CG2-CG2 3.94Å; T214-V219 HydrophobicContact CG2-CG2 4.26Å; K215-V219 WeakPolarHBondContact O-CG2 3.48Å; K215-V219 PolarHBondContact O-N 3.05Å; K215-V219 VanDerWaalsContact O-N 3.11Å; V219-V221 WeakPolarHBondContact O-CG2 3.38Å; V219-V221 PolarHBondContact O-N 2.89Å
220	P	96.4	Very high	93.9	Very high	45 Å²	45	95.4 Å²	95.4	29%	0.292	49%	0.486	S	S	.	.			trans	-52.8	130	177.2	-28.2	34.6	0	0	0	112.8	A186 N190 E218 Y222	A186-P220 HydrophobicContact CB-CB 4.1Å; A186-P220 HydrophobicContact CB-CG 4.14Å; N190-P220 PolarHBondContact ND2-O 3.26Å; E218-P220 WeakPolarHBondContact O-CD 3.43Å; P220-Y222 HydrophobicContact CB-CE2 4.12Å
221	V	94.2	Very high	93.6	Very high	86 Å²	86	95.5 Å²	95.5	52%	0.521	49%	0.489	S	S	.	.			trans	-110.4	131.6	178.3	-171.5	0	0	0	0	109.4	N190 V219 R223	N190-V221 WeakPolarHBondContact OD1-CA 3.41Å; N190-V221 WeakPolarHBondContact OD1-CG1 3.49Å; V219-V221 WeakPolarHBondContact O-CG2 3.38Å; V219-V221 PolarHBondContact O-N 2.89Å; V221-R223 HydrophobicContact CG1-CG 3.93Å
222	Y	90	Very high	93.2	Very high	83 Å²	83	96.1 Å²	96.1	33%	0.325	50%	0.5	S	S	.	.			trans	-109.3	109.6	-176.4	-58.4	-85.7	0	0	0	110.2	A186 L187 N190 P220	A186-Y222 HydrophobicContact CB-CE2 4.18Å; L187-Y222 HydrophobicContact CD2-CD1 4.26Å; L187-Y222 HydrophobicContact CD2-CD2 3.69Å; L187-Y222 HydrophobicContact CD2-CE1 4.16Å; L187-Y222 HydrophobicContact CD2-CE2 3.58Å; L187-Y222 HydrophobicContact CD2-CG 4.03Å; L187-Y222 HydrophobicContact CG-CD2 4.37Å; L187-Y222 HydrophobicContact CG-CE2 3.81Å; N190-Y222 HydrophobicContact CB-CD2 4.47Å; N190-Y222 PolarHBondContact OD1-N 2.81Å; P220-Y222 HydrophobicContact CB-CE2 4.12Å
223	R	88	Confident	92.8	Very high	195 Å²	195	99.2 Å²	99.2	74%	0.736	52%	0.517	S	S	*	.			trans	-127.3	157.9	-177.7	-56.3	-174.6	-176.4	178.2	3.3	110.6	V221 S225	V221-R223 HydrophobicContact CG1-CG 3.93Å; R223-S225 PolarHBondContact O-N 3.44Å
224	F	84	Confident	92.4	Very high	199 Å²	199	100.4 Å²	100.4	87%	0.873	52%	0.523	S	S	*	.			trans	-83.2	6.9	177.4	-64.3	-71.5	0	0	0	114.2
225	S	74.8	Confident	91.8	Very high	169 Å²	169	108 Å²	108	100%	1.182	56%	0.561	S	S	*	*			trans	-66.5	0	-175.9	57.1	0	0	0	0	112.8	R223	R223-S225 PolarHBondContact O-N 3.44Å

Retrieved 225 of 225 residues in 705.5 ms (Link to these results)

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