A0A061I0U3_CRIGR Loading...

Arginase

AlphaFold DB , UniProt , Accession A0A061I0U3, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Arg2, Length 354 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	34.6	Very low	36.8	Very low	234 Å²	234	135.9 Å²	135.9	100%	1.153	74%	0.737	S	S	*	*				0	94.1	0	-96.5	163.8	156.2	0	0	107.2
2	F	34.4	Very low	36.5	Very low	190 Å²	190	141.2 Å²	141.2	83%	0.833	74%	0.738	S	S	*	*				54.2	117.1	112.4	-80.9	-83.1	0	0	0	112.2
3	L	33.6	Very low	36.1	Very low	167 Å²	167	135.5 Å²	135.5	87%	0.874	72%	0.724	S	S	*	*				-151.8	115.2	66.2	-78.3	137.3	0	0	0	112.3
4	R	38.4	Very low	35.9	Very low	249 Å²	249	136.2 Å²	136.2	94%	0.94	72%	0.721	S	S	*	*			trans	-83.7	122.5	150.1	-79.5	178.9	170.3	-177.9	-3.2	106.7
5	G	38.7	Very low	35.6	Very low	72 Å²	72	133.1 Å²	133.1	74%	0.742	71%	0.709	S	S	*	*			trans	172.5	106.4	170.6	0	0	0	0	0	112.7
6	S	41.3	Very low	35.1	Very low	80 Å²	80	134.4 Å²	134.4	56%	0.559	71%	0.709	S	S	*	*	S	Bend	trans	177.5	-28.6	141.7	-176.4	0	0	0	0	112	S8 S9	S6-S8 VanDerWaalsContact C-N 3.3Å; S6-S8 PolarHBondContact O-N 3.12Å; S6-S9 PolarHBondContact O-N 3.3Å; S6-S9 PolarHBondContact O-OG 3.23Å; S6-S9 VanDerWaalsContact O-OG 3.12Å
7	V	39.6	Very low	34.8	Very low	119 Å²	119	132.8 Å²	132.8	72%	0.721	71%	0.71	S	S	*	*	H	α-helix	trans	-70.2	-22.5	-172.3	-165	0	0	0	0	113.6
8	S	38.3	Very low	34.9	Very low	83 Å²	83	131.2 Å²	131.2	58%	0.58	71%	0.705	S	S	*	*	H	α-helix	trans	-79.7	-14.7	179.4	68.9	0	0	0	0	114.8	S6 R12	S6-S8 VanDerWaalsContact C-N 3.3Å; S6-S8 PolarHBondContact O-N 3.12Å; S8-R12 WeakPolarHBondContact O-CB 3.43Å; S8-R12 PolarHBondContact O-N 3.17Å
9	S	36.5	Very low	34.8	Very low	72 Å²	72	129.7 Å²	129.7	50%	0.503	70%	0.697	S	S	.	*	H	α-helix	trans	-79.9	-35.9	-177.2	72.6	0	0	0	0	112.6	S6 R12 A13	S6-S9 PolarHBondContact O-N 3.3Å; S6-S9 PolarHBondContact O-OG 3.23Å; S6-S9 VanDerWaalsContact O-OG 3.12Å; S9-R12 PolarHBondContact O-N 3.49Å; S9-A13 PolarHBondContact O-N 3.21Å
10	L	34.2	Very low	34.9	Very low	126 Å²	126	129.7 Å²	129.7	66%	0.66	70%	0.701	S	S	*	*	H	α-helix	trans	-73.5	-38.4	177.7	-78.9	154	0	0	0	112.2	A13 Q14	L10-A13 PolarHBondContact O-N 3.47Å; L10-Q14 PolarHBondContact O-N 3.06Å
11	L	35.3	Very low	35.6	Very low	103 Å²	103	131.4 Å²	131.4	54%	0.539	70%	0.698	S	S	.	*	H	α-helix	trans	-68.9	-33.5	173.3	-87.4	148.9	0	0	0	112.4	V15	L11-V15 WeakPolarHBondContact O-CB 3.2Å; L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.27Å
12	R	32.6	Very low	36.4	Very low	199 Å²	199	125 Å²	125	75%	0.751	68%	0.676	S	S	*	*	H	α-helix	trans	-69	-34.4	173.6	-88.4	-175.8	175.2	-168	-2.1	113.1	S8 S9 V15 H16	S8-R12 WeakPolarHBondContact O-CB 3.43Å; S8-R12 PolarHBondContact O-N 3.17Å; S9-R12 PolarHBondContact O-N 3.49Å; R12-V15 PolarHBondContact O-N 3.4Å; R12-H16 WeakPolarHBondContact O-CB 3.41Å; R12-H16 PolarHBondContact O-N 3.01Å
13	A	32.3	Very low	37.8	Very low	67 Å²	67	117.9 Å²	117.9	55%	0.554	65%	0.653	S	S	*	*	H	α-helix	trans	-68.8	-36.5	176.8	0	0	0	0	0	112.5	S9 L10	S9-A13 PolarHBondContact O-N 3.21Å; L10-A13 PolarHBondContact O-N 3.47Å
14	Q	32.8	Very low	40.2	Very low	146 Å²	146	113.3 Å²	113.3	68%	0.682	63%	0.627	S	S	*	*	H	α-helix	trans	-73	-34.2	174.1	-84.6	179.9	-23.5	0	0	113.1	L10	L10-Q14 PolarHBondContact O-N 3.06Å
15	V	31.5	Very low	42.9	Very low	90 Å²	90	103.1 Å²	103.1	55%	0.545	59%	0.593	S	S	.	*	H	α-helix	trans	-78	-24.7	178.8	175.9	0	0	0	0	112.3	L11 R12	L11-V15 WeakPolarHBondContact O-CB 3.2Å; L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.27Å; R12-V15 PolarHBondContact O-N 3.4Å
16	H	27.9	Very low	45.8	Very low	154 Å²	154	99.7 Å²	99.7	71%	0.713	56%	0.558	S	S	*	*	H	α-helix	trans	-82.4	-17.4	177.3	-129.1	25.6	0	0	0	114.5	R12 V18	R12-H16 WeakPolarHBondContact O-CB 3.41Å; R12-H16 PolarHBondContact O-N 3.01Å; H16-V18 PolarHBondContact O-N 3.37Å
17	C	30.4	Very low	48.5	Very low	106 Å²	106	95.9 Å²	95.9	72%	0.716	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-9.5	174.6	-164.4	0	0	0	0	113.2
18	V	35.3	Very low	51.3	Low	104 Å²	104	90.2 Å²	90.2	63%	0.63	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-15.2	-173.8	178.7	0	0	0	0	112.9	H16	H16-V18 PolarHBondContact O-N 3.37Å
19	L	33.8	Very low	54.2	Low	104 Å²	104	86.2 Å²	86.2	55%	0.545	47%	0.469	S	S	.	.	S	Bend	trans	-114.2	11.5	-164.4	-74.9	166	0	0	0	116.6	V333	L19-V333 HydrophobicContact CD2-CG1 4.35Å
20	T	35.8	Very low	57.2	Low	128 Å²	128	82.8 Å²	82.8	79%	0.785	45%	0.445	S	S	*	.			trans	-143.3	67.7	166.3	49.8	0	0	0	0	110.7	S22	T20-S22 PolarHBondContact O-N 3.15Å
21	R	50.1	Low	60.3	Low	167 Å²	167	76.8 Å²	76.8	63%	0.63	41%	0.414	S	S	*	.			trans	-65	106.8	165.5	-86.9	-177.5	162.4	-157.1	-11.5	108.2	A23 H284	R21-A23 PolarHBondContact O-N 3.31Å; R21-H284 PolarHBondContact NH1-NE2 3.46Å; R21-H284 PolarHBondContact NH2-NE2 3.26Å; R21-H284 VanDerWaalsContact NH2-NE2 3.15Å
22	S	50.6	Low	63.3	Low	98 Å²	98	73.6 Å²	73.6	69%	0.685	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-48	126	166.6	173	0	0	0	0	109.1	T20 H24	T20-S22 PolarHBondContact O-N 3.15Å; S22-H24 PolarHBondContact O-N 3.02Å; S22-H24 PolarHBondContact O-ND1 2.93Å; S22-H24 VanDerWaalsContact O-ND1 3.1Å
23	A	63.8	Low	66.4	Low	42 Å²	42	64.7 Å²	64.7	35%	0.347	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-50.8	125.4	174.1	0	0	0	0	0	109.3	R21 S25 Q64	R21-A23 PolarHBondContact O-N 3.31Å; A23-S25 PolarHBondContact O-N 3.33Å; A23-Q64 HydrophobicContact CB-CG 3.96Å
24	H	84.5	Confident	69.6	Low	71 Å²	71	62.7 Å²	62.7	33%	0.329	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-75.3	121.7	179.1	-75.1	17.6	0	0	0	108.8	S22 V26 C63 Q64	S22-H24 PolarHBondContact O-N 3.02Å; S22-H24 PolarHBondContact O-ND1 2.93Å; S22-H24 VanDerWaalsContact O-ND1 3.1Å; H24-V26 HydrophobicContact CB-CG2 4.46Å; H24-C63 CarbonylContact O-C 3.57Å; H24-C63 WeakPolarHBondContact O-CA 3.26Å; H24-Q64 PolarHBondContact O-N 3.48Å
25	S	96.4	Very high	72.7	Confident	34 Å²	34	58.7 Å²	58.7	24%	0.238	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	117.7	173.7	-64	0	0	0	0	109.1	A23 Q64 Y111 S112	A23-S25 PolarHBondContact O-N 3.33Å; S25-Q64 CarbonylContact C-O 2.96Å; S25-Q64 WeakPolarHBondContact CA-O 3.45Å; S25-Y111 WeakPolarHBondContact O-CA 3.33Å; S25-S112 PolarHBondContact O-N 3.25Å
26	V	98.5	Very high	75.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	123.8	-177.4	-176.2	0	0	0	0	110.1	H24 V28 L58 C63 Q64 L65 K66 S112 V114 F323	H24-V26 HydrophobicContact CB-CG2 4.46Å; V26-V28 HydrophobicContact CG1-CG2 4.36Å; V26-L58 HydrophobicContact CG1-CD1 4.29Å; V26-C63 HydrophobicContact CB-CB 4.46Å; V26-C63 HydrophobicContact CG2-CB 3.97Å; V26-Q64 PolarHBondContact N-O 3.42Å; V26-L65 HydrophobicContact CB-CD2 3.9Å; V26-L65 HydrophobicContact CG1-CD2 4.47Å; V26-L65 WeakPolarHBondContact O-CA 3.28Å; V26-K66 PolarHBondContact O-N 3.43Å; V26-S112 WeakPolarHBondContact CA-O 3.41Å; V26-V114 HydrophobicContact CG1-CB 4.4Å; V26-V114 HydrophobicContact CG1-CG2 3.63Å; V26-F323 HydrophobicContact CG1-CE1 4.23Å; V26-F323 HydrophobicContact CG1-CE2 4.36Å; V26-F323 HydrophobicContact CG1-CZ 4.02Å; V26-F323 HydrophobicContact CG2-CD1 3.59Å; V26-F323 HydrophobicContact CG2-CE1 3.52Å; V26-F323 HydrophobicContact CG2-CG 4.27Å; V26-F323 HydrophobicContact CG2-CZ 4.16Å
27	A	98.7	Very high	79.1	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	134.9	169.1	0	0	0	0	0	108.9	K66 F68 A106 Y111 S112 V114	A27-K66 CarbonylContact C-O 3.57Å; A27-K66 VanDerWaalsContact CA-O 3.24Å; A27-K66 WeakPolarHBondContact CA-O 3.25Å; A27-F68 HydrophobicContact CB-CD2 4.2Å; A27-F68 HydrophobicContact CB-CE2 3.8Å; A27-A106 HydrophobicContact CB-CB 3.73Å; A27-Y111 HydrophobicContact CB-CD1 4.24Å; A27-Y111 HydrophobicContact CB-CG 3.99Å; A27-S112 PolarHBondContact N-O 3.04Å; A27-V114 PolarHBondContact O-N 2.76Å
28	V	98.9	Very high	82.2	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	126.6	175	-176.9	0	0	0	0	108.7	V26 L54 L55 L58 K66 F68 V114 V116	V26-V28 HydrophobicContact CG1-CG2 4.36Å; V28-L54 HydrophobicContact CG1-CD2 4.15Å; V28-L55 HydrophobicContact CB-CD2 4.15Å; V28-L55 HydrophobicContact CG1-CD2 4.21Å; V28-L55 HydrophobicContact CG2-CD2 3.93Å; V28-L58 HydrophobicContact CG2-CD1 4.08Å; V28-K66 PolarHBondContact N-O 3.07Å; V28-F68 PolarHBondContact O-N 2.85Å; V28-V114 CarbonylContact C-O 3.44Å; V28-V114 WeakPolarHBondContact CA-O 3.31Å; V28-V114 HydrophobicContact CG2-CB 4.47Å; V28-V116 HydrophobicContact CG1-CG2 4.38Å
29	V	98.9	Very high	85.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.8	-179.8	-174.7	0	0	0	0	108	F68 L71 L99 V102 V114 T115 V116	V29-F68 HydrophobicContact CG2-CB 4.08Å; V29-F68 HydrophobicContact CG2-CD2 4.11Å; V29-F68 HydrophobicContact CG2-CG 4.21Å; V29-L71 HydrophobicContact CG1-CD1 3.86Å; V29-L71 HydrophobicContact CG1-CD2 4.23Å; V29-L71 HydrophobicContact CG1-CG 3.85Å; V29-L99 HydrophobicContact CG1-CD1 4.14Å; V29-V102 HydrophobicContact CG1-CG1 4.01Å; V29-V102 HydrophobicContact CG2-CG1 3.88Å; V29-V114 PolarHBondContact N-O 2.88Å; V29-T115 CarbonylContact O-C 3.27Å; V29-T115 WeakPolarHBondContact O-CA 3.45Å; V29-V116 PolarHBondContact O-N 2.87Å
30	G	98.9	Very high	88.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	130.1	168.4	0	0	0	0	0	110.3	P32 G69 D70 L71	G30-P32 VanDerWaalsContact C-CD 3.43Å; G30-P32 VanDerWaalsContact O-CD 3.31Å; G30-P32 WeakPolarHBondContact O-CD 3.48Å; G30-G69 PolarHBondContact N-O 3.15Å; G30-D70 WeakPolarHBondContact CA-OD1 3.35Å; G30-D70 WeakPolarHBondContact O-CA 3.13Å; G30-L71 WeakPolarHBondContact O-CG 3.38Å; G30-L71 PolarHBondContact O-N 3.4Å
31	A	98.8	Very high	91	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	72.4	178.1	0	0	0	0	0	110.2	F33 F73 L99 T115 V116 G117 G118 L122	A31-F33 PolarHBondContact O-N 3.02Å; A31-F73 HydrophobicContact CB-CE2 4.34Å; A31-F73 HydrophobicContact CB-CZ 3.96Å; A31-L99 HydrophobicContact CB-CD1 4.38Å; A31-L99 HydrophobicContact CB-CD2 4.26Å; A31-T115 HydrophobicContact CB-CG2 3.84Å; A31-V116 PolarHBondContact N-O 2.83Å; A31-G117 CarbonylContact O-C 3.59Å; A31-G118 PolarHBondContact O-N 2.81Å; A31-L122 HydrophobicContact CB-CD2 4.27Å
32	P	98.6	Very high	93.3	Very high	36 Å²	36	36.9 Å²	36.9	23%	0.234	19%	0.194	C	C	.	.			trans	-72.4	74.3	-175.4	33.1	-38.7	0	0	0	111.8	G30 E43 P46 D70 L71	G30-P32 VanDerWaalsContact C-CD 3.43Å; G30-P32 VanDerWaalsContact O-CD 3.31Å; G30-P32 WeakPolarHBondContact O-CD 3.48Å; P32-E43 HydrophobicContact CB-CB 4.29Å; P32-E43 WeakPolarHBondContact CB-O 3.47Å; P32-P46 HydrophobicContact CB-CG 4.15Å; P32-D70 HydrophobicContact CG-CB 4.17Å; P32-L71 WeakPolarHBondContact CG-O 3.39Å
33	F	98.6	Very high	95.6	Very high	11 Å²	11	34.2 Å²	34.2	5%	0.048	17%	0.17	C	C	.	.			trans	-125.2	134.4	-174	-172.9	-99	0	0	0	111.4	A31 Q35 F73 V92 A95 G118 D119	A31-F33 PolarHBondContact O-N 3.02Å; F33-Q35 HydrophobicContact CE1-CB 4.08Å; F33-Q35 HydrophobicContact CE2-CB 4.08Å; F33-Q35 HydrophobicContact CE2-CG 4.25Å; F33-Q35 HydrophobicContact CZ-CB 3.58Å; F33-Q35 HydrophobicContact CZ-CG 4.25Å; F33-F73 HydrophobicContact CB-CD2 3.96Å; F33-F73 HydrophobicContact CB-CE2 3.66Å; F33-F73 HydrophobicContact CB-CZ 4.41Å; F33-F73 AromaticContact CD2-CD2 3.93Å; F33-F73 HydrophobicContact CD2-CD2 3.93Å; F33-F73 HydrophobicContact CD2-CE2 4.4Å; F33-F73 HydrophobicContact CD2-CG 4.28Å; F33-F73 HydrophobicContact CG-CD2 4.4Å; F33-F73 HydrophobicContact CG-CE2 4.43Å; F33-V92 HydrophobicContact CE1-CB 4.28Å; F33-V92 HydrophobicContact CE1-CG1 4.38Å; F33-V92 HydrophobicContact CE1-CG2 3.76Å; F33-V92 HydrophobicContact CZ-CB 4.15Å; F33-V92 HydrophobicContact CZ-CG2 3.72Å; F33-A95 HydrophobicContact CD2-CB 3.63Å; F33-A95 HydrophobicContact CE2-CB 3.47Å; F33-A95 VanDerWaalsContact CE2-CB 3.47Å; F33-A95 HydrophobicContact CG-CB 4.29Å; F33-A95 HydrophobicContact CZ-CB 4.01Å; F33-G118 CarbonylContact O-C 3.52Å; F33-G118 VanDerWaalsContact O-CA 3.26Å; F33-G118 WeakPolarHBondContact O-CA 3.32Å; F33-D119 PolarHBondContact O-N 3Å
34	S	98.1	Very high	97.3	Very high	26 Å²	26	37.7 Å²	37.7	18%	0.182	18%	0.176	C	C	.	.			trans	-131.4	-0.7	-174.6	58.1	0	0	0	0	115.1	G36 Q37 V42 E43 D119	S34-G36 VanDerWaalsContact C-N 3.27Å; S34-G36 PolarHBondContact O-N 3.32Å; S34-Q37 PolarHBondContact O-N 2.64Å; S34-Q37 PolarHBondContact O-NE2 2.97Å; S34-Q37 VanDerWaalsContact O-O 3.1Å; S34-V42 VanDerWaalsContact CB-CG1 3.44Å; S34-E43 WeakPolarHBondContact CB-OE2 3.32Å; S34-E43 PolarHBondContact OG-OE2 3.43Å; S34-D119 WeakPolarHBondContact CA-OD2 3.39Å
35	Q	98.4	Very high	98	Very high	61 Å²	61	34.3 Å²	34.3	29%	0.285	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-0.1	-174.4	-53.9	-172.6	-100.6	0	0	113.6	F33 Q37 Y88 S91 V92 D119	F33-Q35 HydrophobicContact CE1-CB 4.08Å; F33-Q35 HydrophobicContact CE2-CB 4.08Å; F33-Q35 HydrophobicContact CE2-CG 4.25Å; F33-Q35 HydrophobicContact CZ-CB 3.58Å; F33-Q35 HydrophobicContact CZ-CG 4.25Å; Q35-Q37 PolarHBondContact O-N 3.31Å; Q35-Y88 HydrophobicContact CB-CD2 3.91Å; Q35-Y88 HydrophobicContact CB-CG 4.02Å; Q35-Y88 WeakPolarHBondContact O-CD2 3.3Å; Q35-S91 PolarHBondContact NE2-OG 3.4Å; Q35-S91 VanDerWaalsContact OE1-CB 3.22Å; Q35-S91 PolarHBondContact OE1-OG 2.99Å; Q35-V92 HydrophobicContact CB-CG2 4.47Å; Q35-V92 WeakPolarHBondContact O-CG2 3.38Å; Q35-D119 PolarHBondContact N-OD2 3.06Å
36	G	97.9	Very high	98.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.8	167.3	0	0	0	0	0	112.5	S34 D119 N158 I159 H160	S34-G36 VanDerWaalsContact C-N 3.27Å; S34-G36 PolarHBondContact O-N 3.32Å; G36-D119 WeakPolarHBondContact CA-OD1 3.37Å; G36-D119 WeakPolarHBondContact CA-OD2 3.42Å; G36-D119 PolarHBondContact N-OD2 2.99Å; G36-N158 CarbonylContact O-C 3.55Å; G36-N158 VanDerWaalsContact O-C 3.27Å; G36-N158 WeakPolarHBondContact O-CA 3.46Å; G36-N158 WeakPolarHBondContact O-CB 3.41Å; G36-I159 PolarHBondContact O-N 3.35Å; G36-H160 PolarHBondContact O-N 3.22Å
37	Q	97	Very high	98.1	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.037	16%	0.162	C	C	.	.	S	Bend	trans	-145.4	-171.7	178.3	51.9	73.2	43.2	0	0	111.5	S34 Q35 K39 D119 N158 H160	S34-Q37 PolarHBondContact O-N 2.64Å; S34-Q37 PolarHBondContact O-NE2 2.97Å; S34-Q37 VanDerWaalsContact O-O 3.1Å; Q35-Q37 PolarHBondContact O-N 3.31Å; Q37-K39 VanDerWaalsContact CD-O 3.3Å; Q37-K39 PolarHBondContact NE2-O 2.87Å; Q37-K39 VanDerWaalsContact OE1-CA 3.29Å; Q37-K39 VanDerWaalsContact OE1-CB 3.27Å; Q37-K39 PolarHBondContact OE1-O 3.02Å; Q37-D119 HydrophobicContact CG-CB 3.64Å; Q37-N158 HydrophobicContact CB-CB 4.32Å; Q37-H160 HydrophobicContact CB-CB 4.44Å
38	K	95.1	Very high	98.1	Very high	130 Å²	130	35.1 Å²	35.1	57%	0.565	17%	0.169	S	C	*	.	S	Bend	trans	-107.3	-21.2	-168.2	-68.7	171.3	-174.7	155.6	0	114.6	S156 N158	K38-S156 PolarHBondContact NZ-O 2.95Å; K38-N158 WeakPolarHBondContact CE-OD1 3.37Å; K38-N158 PolarHBondContact NZ-OD1 3.25Å
39	K	96.3	Very high	98.1	Very high	99 Å²	99	35.1 Å²	35.1	43%	0.43	17%	0.169	S	C	.	.			trans	-79.9	130.1	178.7	-58.3	-177.1	178.2	-176.3	0	109.2	Q37 G264 L301	Q37-K39 VanDerWaalsContact CD-O 3.3Å; Q37-K39 PolarHBondContact NE2-O 2.87Å; Q37-K39 VanDerWaalsContact OE1-CA 3.29Å; Q37-K39 VanDerWaalsContact OE1-CB 3.27Å; Q37-K39 PolarHBondContact OE1-O 3.02Å; K39-G264 PolarHBondContact NZ-O 3.06Å; K39-L301 HydrophobicContact CD-CD1 3.79Å; K39-L301 HydrophobicContact CD-CD2 4.39Å
40	K	95.7	Very high	98.1	Very high	158 Å²	158	37.2 Å²	37.2	69%	0.687	18%	0.177	S	C	*	.	S	Bend	trans	-76.7	162.5	170.7	-63.3	-178.2	179.9	-179.6	0	109.8	N298	K40-N298 PolarHBondContact O-ND2 3.44Å
41	G	97.9	Very high	98.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.214	C	C	.	.			trans	109.2	-21	167.2	0	0	0	0	0	114.8	E43 Y44 N298 Q300	G41-E43 VanDerWaalsContact N-CD 3.32Å; G41-E43 PolarHBondContact N-OE1 3.06Å; G41-E43 PolarHBondContact N-OE2 3.03Å; G41-E43 PolarHBondContact O-N 3.32Å; G41-Y44 WeakPolarHBondContact O-CB 3.19Å; G41-Y44 WeakPolarHBondContact O-CD2 3.46Å; G41-Y44 PolarHBondContact O-N 3.33Å; G41-N298 VanDerWaalsContact C-CG 3.41Å; G41-N298 VanDerWaalsContact CA-OD1 3.28Å; G41-N298 WeakPolarHBondContact CA-OD1 3.22Å; G41-N298 PolarHBondContact O-OD1 2.93Å; G41-Q300 VanDerWaalsContact CA-OE1 3.22Å
42	V	98.6	Very high	98.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-66.8	-24.1	175.7	76	0	0	0	0	111.1	S34 Y44 G45 G118 D119 N298	S34-V42 VanDerWaalsContact CB-CG1 3.44Å; V42-Y44 PolarHBondContact O-N 3.35Å; V42-Y44 VanDerWaalsContact O-N 3.11Å; V42-G45 PolarHBondContact O-N 3.46Å; V42-G118 WeakPolarHBondContact O-CA 3.22Å; V42-D119 HydrophobicContact CG1-CB 4.16Å; V42-N298 HydrophobicContact CB-CB 4.05Å; V42-N298 HydrophobicContact CG2-CB 4.25Å; V42-N298 VanDerWaalsContact N-CG 3.28Å; V42-N298 PolarHBondContact N-ND2 3.05Å; V42-N298 PolarHBondContact N-OD1 3.42Å
43	E	98.6	Very high	98	Very high	42 Å²	42	46.4 Å²	46.4	20%	0.196	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-61.4	-16.2	170.3	66.4	-89.3	-158.6	0	0	113.9	P32 S34 G41	P32-E43 HydrophobicContact CB-CB 4.29Å; P32-E43 WeakPolarHBondContact CB-O 3.47Å; S34-E43 WeakPolarHBondContact CB-OE2 3.32Å; S34-E43 PolarHBondContact OG-OE2 3.43Å; G41-E43 VanDerWaalsContact N-CD 3.32Å; G41-E43 PolarHBondContact N-OE1 3.06Å; G41-E43 PolarHBondContact N-OE2 3.03Å; G41-E43 PolarHBondContact O-N 3.32Å
44	Y	98.8	Very high	98	Very high	116 Å²	116	45.9 Å²	45.9	46%	0.455	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-90.7	-4.7	173.5	-55.2	-68	0	0	0	113.4	G41 V42 A47 A48 Q300	G41-Y44 WeakPolarHBondContact O-CB 3.19Å; G41-Y44 WeakPolarHBondContact O-CD2 3.46Å; G41-Y44 PolarHBondContact O-N 3.33Å; V42-Y44 PolarHBondContact O-N 3.35Å; V42-Y44 VanDerWaalsContact O-N 3.11Å; Y44-A47 PolarHBondContact O-N 3.41Å; Y44-A48 PolarHBondContact O-N 3.21Å; Y44-Q300 HydrophobicContact CD2-CG 3.92Å; Y44-Q300 HydrophobicContact CE2-CG 4.24Å
45	G	98.8	Very high	98	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-51.1	-49.7	175.7	0	0	0	0	0	113.5	V42 A47 A48 V49 V297	V42-G45 PolarHBondContact O-N 3.46Å; G45-A47 PolarHBondContact O-N 3.15Å; G45-A48 PolarHBondContact O-N 3.32Å; G45-V49 WeakPolarHBondContact O-CG2 3.49Å; G45-V49 PolarHBondContact O-N 3.39Å; G45-V297 VanDerWaalsContact CA-O 3.24Å; G45-V297 WeakPolarHBondContact CA-O 3.25Å
46	P	98.8	Very high	98	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-59.4	-44.4	-179.8	-24.8	36	0	0	0	112.9	P32 R50 V116 G117	P32-P46 HydrophobicContact CB-CG 4.15Å; P46-R50 WeakPolarHBondContact O-CB 3.43Å; P46-R50 WeakPolarHBondContact O-CD 3.47Å; P46-R50 WeakPolarHBondContact O-CG 3.34Å; P46-R50 PolarHBondContact O-N 2.88Å; P46-V116 HydrophobicContact CB-CG1 4.34Å; P46-V116 WeakPolarHBondContact CG-O 3.24Å; P46-G117 VanDerWaalsContact CD-O 3.23Å; P46-G117 WeakPolarHBondContact CD-O 3.33Å; P46-G117 WeakPolarHBondContact CG-O 3.47Å
47	A	98.8	Very high	98	Very high	34 Å²	34	55 Å²	55	28%	0.281	26%	0.262	S	S	.	.	H	α-helix	trans	-62.9	-47.4	177.1	0	0	0	0	0	111.6	Y44 G45 V49 R50 E51	Y44-A47 PolarHBondContact O-N 3.41Å; G45-A47 PolarHBondContact O-N 3.15Å; A47-V49 PolarHBondContact O-N 3.04Å; A47-R50 WeakPolarHBondContact O-CB 3.19Å; A47-R50 PolarHBondContact O-N 3.44Å; A47-E51 WeakPolarHBondContact O-CB 3.43Å; A47-E51 WeakPolarHBondContact O-CG 3.47Å; A47-E51 PolarHBondContact O-N 3.15Å
48	A	98.8	Very high	98	Very high	17 Å²	17	54.6 Å²	54.6	14%	0.14	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-42.8	-179.8	0	0	0	0	0	112.6	Y44 G45 E51 A52 P299 A312	Y44-A48 PolarHBondContact O-N 3.21Å; G45-A48 PolarHBondContact O-N 3.32Å; A48-E51 PolarHBondContact O-N 3.22Å; A48-A52 WeakPolarHBondContact O-CB 3.45Å; A48-A52 PolarHBondContact O-N 3.28Å; A48-P299 HydrophobicContact CB-CB 4.38Å; A48-P299 HydrophobicContact CB-CG 4.12Å; A48-A312 HydrophobicContact CB-CB 4.27Å
49	V	98.8	Very high	98	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-68.6	-36.9	177.6	175.1	0	0	0	0	111.4	G45 A47 A52 L54 V116 L294 V297 A315 V316 I319	G45-V49 WeakPolarHBondContact O-CG2 3.49Å; G45-V49 PolarHBondContact O-N 3.39Å; A47-V49 PolarHBondContact O-N 3.04Å; V49-A52 PolarHBondContact O-N 3.27Å; V49-L54 HydrophobicContact CG1-CB 4.2Å; V49-L54 HydrophobicContact CG1-CD2 3.95Å; V49-L54 PolarHBondContact O-N 3.04Å; V49-V116 HydrophobicContact CB-CG1 3.82Å; V49-V116 HydrophobicContact CG1-CG1 3.98Å; V49-V116 HydrophobicContact CG1-CG2 4.49Å; V49-V116 HydrophobicContact CG2-CG1 3.97Å; V49-L294 HydrophobicContact CG1-CD2 4.4Å; V49-L294 HydrophobicContact CG2-CD2 4.33Å; V49-V297 HydrophobicContact CG2-CG1 4.4Å; V49-V297 HydrophobicContact CG2-CG2 4.39Å; V49-A315 HydrophobicContact CG2-CB 3.87Å; V49-V316 HydrophobicContact CG1-CG2 3.88Å; V49-V316 WeakPolarHBondContact O-CG2 3.48Å; V49-I319 HydrophobicContact CG1-CD1 4.29Å
50	R	98.7	Very high	97.9	Very high	44 Å²	44	51 Å²	51	17%	0.166	26%	0.256	C	S	.	.	H	α-helix	trans	-63.9	-46.4	173.1	-74.6	170.5	178.6	-72.9	3	111.6	P46 A47 A52 G53 D67 G69 D70	P46-R50 WeakPolarHBondContact O-CB 3.43Å; P46-R50 WeakPolarHBondContact O-CD 3.47Å; P46-R50 WeakPolarHBondContact O-CG 3.34Å; P46-R50 PolarHBondContact O-N 2.88Å; A47-R50 WeakPolarHBondContact O-CB 3.19Å; A47-R50 PolarHBondContact O-N 3.44Å; R50-A52 VanDerWaalsContact C-N 3.27Å; R50-A52 PolarHBondContact O-N 3.43Å; R50-G53 WeakPolarHBondContact O-CA 3.33Å; R50-G53 PolarHBondContact O-N 3.06Å; R50-D67 IonicContact CZ-OD1 3.87Å; R50-D67 IonicContact CZ-OD2 3.09Å; R50-D67 IonicContact NH1-OD1 3.69Å; R50-D67 PolarHBondContact NH1-OD1 3.1Å; R50-D67 IonicContact NH1-OD2 2.61Å; R50-D67 PolarHBondContact NH1-OD2 3.24Å; R50-D67 IonicContact NH2-OD1 2.72Å; R50-D67 PolarHBondContact NH2-OD1 3.28Å; R50-D67 IonicContact NH2-OD2 3.43Å; R50-G69 PolarHBondContact NH2-O 2.89Å; R50-G69 VanDerWaalsContact NH2-O 3.14Å; R50-D70 IonicContact CZ-OD1 3.68Å; R50-D70 IonicContact NE-OD1 3.97Å; R50-D70 PolarHBondContact NE-OD1 2.8Å; R50-D70 IonicContact NH2-OD1 2.88Å; R50-D70 PolarHBondContact NH2-OD1 2.86Å
51	E	98.5	Very high	97.8	Very high	169 Å²	169	45 Å²	45	79%	0.79	23%	0.231	S	C	*	.	H	α-helix	trans	-63	-32.6	177.5	-74	174.6	-172	0	0	112.4	A47 A48 G53	A47-E51 WeakPolarHBondContact O-CB 3.43Å; A47-E51 WeakPolarHBondContact O-CG 3.47Å; A47-E51 PolarHBondContact O-N 3.15Å; A48-E51 PolarHBondContact O-N 3.22Å; E51-G53 PolarHBondContact O-N 3.02Å; E51-G53 VanDerWaalsContact O-N 3.14Å
52	A	98.5	Very high	97.5	Very high	38 Å²	38	47 Å²	47	31%	0.314	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-3.6	171.1	0	0	0	0	0	113.8	A48 V49 R50 A312 V316	A48-A52 WeakPolarHBondContact O-CB 3.45Å; A48-A52 PolarHBondContact O-N 3.28Å; V49-A52 PolarHBondContact O-N 3.27Å; R50-A52 VanDerWaalsContact C-N 3.27Å; R50-A52 PolarHBondContact O-N 3.43Å; A52-A312 HydrophobicContact CB-CB 4.04Å; A52-V316 HydrophobicContact CB-CG2 3.8Å
53	G	98.4	Very high	97.4	Very high	22 Å²	22	47.6 Å²	47.6	23%	0.227	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.6	22.8	168.1	0	0	0	0	0	115.4	R50 E51 L55 K56 R57	R50-G53 WeakPolarHBondContact O-CA 3.33Å; R50-G53 PolarHBondContact O-N 3.06Å; E51-G53 PolarHBondContact O-N 3.02Å; E51-G53 VanDerWaalsContact O-N 3.14Å; G53-L55 PolarHBondContact O-N 3.45Å; G53-K56 PolarHBondContact O-N 2.76Å; G53-R57 WeakPolarHBondContact O-CG 3.27Å; G53-R57 PolarHBondContact O-N 2.63Å
54	L	98.6	Very high	97.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-47.3	-56.6	-179.1	176	59.3	0	0	0	113.5	V28 V49 K56 R57 L58 V116 V316 I319	V28-L54 HydrophobicContact CG1-CD2 4.15Å; V49-L54 HydrophobicContact CG1-CB 4.2Å; V49-L54 HydrophobicContact CG1-CD2 3.95Å; V49-L54 PolarHBondContact O-N 3.04Å; L54-K56 VanDerWaalsContact C-N 3.3Å; L54-K56 PolarHBondContact O-N 2.68Å; L54-R57 PolarHBondContact O-N 3.48Å; L54-R57 VanDerWaalsContact O-N 3.14Å; L54-L58 HydrophobicContact CD1-CD1 3.95Å; L54-L58 HydrophobicContact CD1-CG 4.15Å; L54-L58 HydrophobicContact CG-CD1 4.25Å; L54-L58 PolarHBondContact O-N 3.26Å; L54-V116 HydrophobicContact CD2-CG2 3.66Å; L54-V316 HydrophobicContact CB-CG2 4.09Å; L54-I319 HydrophobicContact CD1-CB 3.92Å; L54-I319 HydrophobicContact CD1-CD1 3.79Å; L54-I319 HydrophobicContact CD1-CG1 4.47Å; L54-I319 HydrophobicContact CD1-CG2 3.71Å; L54-I319 HydrophobicContact CD2-CD1 3.99Å
55	L	98.3	Very high	97.2	Very high	51 Å²	51	48.1 Å²	48.1	27%	0.267	26%	0.264	S	S	.	.	H	α-helix	trans	-62.4	-39.4	-175.6	-59.4	178.7	0	0	0	111.7	V28 G53 S59 L65 D67	V28-L55 HydrophobicContact CB-CD2 4.15Å; V28-L55 HydrophobicContact CG1-CD2 4.21Å; V28-L55 HydrophobicContact CG2-CD2 3.93Å; G53-L55 PolarHBondContact O-N 3.45Å; L55-S59 WeakPolarHBondContact O-CB 3.42Å; L55-S59 PolarHBondContact O-N 3.08Å; L55-S59 PolarHBondContact O-OG 3.12Å; L55-S59 VanDerWaalsContact O-OG 3.09Å; L55-L65 HydrophobicContact CB-CD1 4.3Å; L55-L65 HydrophobicContact CD2-CD1 4.38Å; L55-L65 VanDerWaalsContact O-CD1 3.31Å; L55-L65 WeakPolarHBondContact O-CD1 3.25Å; L55-D67 VanDerWaalsContact CD1-OD2 3.26Å; L55-D67 WeakPolarHBondContact CD1-OD2 2.98Å
56	K	97.8	Very high	97.2	Very high	154 Å²	154	50.8 Å²	50.8	67%	0.67	28%	0.276	S	S	*	.	H	α-helix	trans	-63.7	-42.9	176.8	-176.4	179.2	177.8	-177.9	0	111	G53 L54 S59 I60	G53-K56 PolarHBondContact O-N 2.76Å; L54-K56 VanDerWaalsContact C-N 3.3Å; L54-K56 PolarHBondContact O-N 2.68Å; K56-S59 PolarHBondContact O-N 3.46Å; K56-I60 HydrophobicContact CG-CD1 4.07Å; K56-I60 VanDerWaalsContact O-CG1 3.3Å; K56-I60 WeakPolarHBondContact O-CG1 3.43Å; K56-I60 PolarHBondContact O-N 2.86Å
57	R	97.1	Very high	97.2	Very high	73 Å²	73	54.3 Å²	54.3	28%	0.275	30%	0.295	S	S	.	.	H	α-helix	trans	-63.2	-46.4	178.8	-73.4	-75.8	-75.9	-88.5	-6.2	111.6	G53 L54 S59 I60 L61 V316 D317 A320	G53-R57 WeakPolarHBondContact O-CG 3.27Å; G53-R57 PolarHBondContact O-N 2.63Å; L54-R57 PolarHBondContact O-N 3.48Å; L54-R57 VanDerWaalsContact O-N 3.14Å; R57-S59 PolarHBondContact O-N 3.17Å; R57-I60 PolarHBondContact O-N 3.43Å; R57-L61 WeakPolarHBondContact O-CG 3.32Å; R57-L61 PolarHBondContact O-N 2.81Å; R57-V316 HydrophobicContact CB-CG1 4.21Å; R57-V316 HydrophobicContact CG-CG1 3.88Å; R57-D317 IonicContact CZ-OD1 2.67Å; R57-D317 IonicContact NH1-OD1 3.33Å; R57-D317 PolarHBondContact NH1-OD1 3.42Å; R57-D317 IonicContact NH2-OD1 3.79Å; R57-D317 PolarHBondContact NH2-OD1 3.44Å; R57-A320 HydrophobicContact CB-CB 4.47Å
58	L	96.8	Very high	97.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.9	-38	177	-65.6	173.7	0	0	0	112.7	V26 V28 L54 I60 L61 G62 C63 L65 I319 F323	V26-L58 HydrophobicContact CG1-CD1 4.29Å; V28-L58 HydrophobicContact CG2-CD1 4.08Å; L54-L58 HydrophobicContact CD1-CD1 3.95Å; L54-L58 HydrophobicContact CD1-CG 4.15Å; L54-L58 HydrophobicContact CG-CD1 4.25Å; L54-L58 PolarHBondContact O-N 3.26Å; L58-I60 PolarHBondContact O-N 3.41Å; L58-L61 HydrophobicContact CD2-CD1 4.45Å; L58-L61 WeakPolarHBondContact O-CB 3.32Å; L58-L61 PolarHBondContact O-N 3.36Å; L58-G62 PolarHBondContact O-N 3.1Å; L58-C63 HydrophobicContact CB-CB 4.3Å; L58-C63 VanDerWaalsContact O-CB 3.31Å; L58-C63 WeakPolarHBondContact O-CB 3.42Å; L58-C63 PolarHBondContact O-N 2.94Å; L58-C63 VanDerWaalsContact O-N 3.15Å; L58-L65 HydrophobicContact CB-CD1 4.08Å; L58-L65 HydrophobicContact CB-CD2 3.79Å; L58-L65 HydrophobicContact CB-CG 4.46Å; L58-L65 HydrophobicContact CD1-CD2 4.1Å; L58-I319 HydrophobicContact CD2-CG2 4.31Å; L58-F323 HydrophobicContact CD2-CB 3.91Å; L58-F323 HydrophobicContact CD2-CD2 3.82Å; L58-F323 HydrophobicContact CD2-CG 4.05Å
59	S	95.5	Very high	97.1	Very high	68 Å²	68	55.8 Å²	55.8	48%	0.476	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-39.7	173.5	-69.5	0	0	0	0	112.7	L55 K56 R57 L61 G62 L65	L55-S59 WeakPolarHBondContact O-CB 3.42Å; L55-S59 PolarHBondContact O-N 3.08Å; L55-S59 PolarHBondContact O-OG 3.12Å; L55-S59 VanDerWaalsContact O-OG 3.09Å; K56-S59 PolarHBondContact O-N 3.46Å; R57-S59 PolarHBondContact O-N 3.17Å; S59-L61 PolarHBondContact O-N 3.36Å; S59-G62 PolarHBondContact O-N 3.1Å; S59-L65 VanDerWaalsContact OG-CD1 3.29Å; S59-L65 WeakPolarHBondContact OG-CD1 3.31Å
60	I	93.8	Very high	97.1	Very high	86 Å²	86	59 Å²	59	44%	0.441	32%	0.316	S	S	.	.	H	α-helix	trans	-63	-33.2	176.1	-71.4	164.7	0	0	0	111.3	K56 R57 L58 G62	K56-I60 HydrophobicContact CG-CD1 4.07Å; K56-I60 VanDerWaalsContact O-CG1 3.3Å; K56-I60 WeakPolarHBondContact O-CG1 3.43Å; K56-I60 PolarHBondContact O-N 2.86Å; R57-I60 PolarHBondContact O-N 3.43Å; L58-I60 PolarHBondContact O-N 3.41Å; I60-G62 PolarHBondContact O-N 3.22Å
61	L	93.3	Very high	97.1	Very high	31 Å²	31	58.3 Å²	58.3	16%	0.162	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-0.6	173.6	-63.5	172.2	0	0	0	113.4	R57 L58 S59 A320 F323 Q325 H331	R57-L61 WeakPolarHBondContact O-CG 3.32Å; R57-L61 PolarHBondContact O-N 2.81Å; L58-L61 HydrophobicContact CD2-CD1 4.45Å; L58-L61 WeakPolarHBondContact O-CB 3.32Å; L58-L61 PolarHBondContact O-N 3.36Å; S59-L61 PolarHBondContact O-N 3.36Å; L61-A320 HydrophobicContact CD1-CB 4.17Å; L61-A320 WeakPolarHBondContact CD1-O 3.41Å; L61-F323 HydrophobicContact CD1-CB 4.42Å; L61-Q325 HydrophobicContact CD1-CB 4.15Å; L61-Q325 HydrophobicContact CD2-CB 3.93Å; L61-Q325 HydrophobicContact CD2-CG 4.48Å; L61-H331 HydrophobicContact CD2-CB 4.32Å
62	G	93.3	Very high	97.1	Very high	43 Å²	43	55.9 Å²	55.9	44%	0.443	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	18.1	-179.6	0	0	0	0	0	114.1	L58 S59 I60	L58-G62 PolarHBondContact O-N 3.1Å; S59-G62 PolarHBondContact O-N 3.1Å; I60-G62 PolarHBondContact O-N 3.22Å
63	C	95.2	Very high	97.1	Very high	12 Å²	12	55.7 Å²	55.7	8%	0.081	31%	0.309	C	S	.	.			trans	-70.5	137.3	175.8	-61.7	0	0	0	0	111	H24 V26 L58 L65	H24-C63 CarbonylContact O-C 3.57Å; H24-C63 WeakPolarHBondContact O-CA 3.26Å; V26-C63 HydrophobicContact CB-CB 4.46Å; V26-C63 HydrophobicContact CG2-CB 3.97Å; L58-C63 HydrophobicContact CB-CB 4.3Å; L58-C63 VanDerWaalsContact O-CB 3.31Å; L58-C63 WeakPolarHBondContact O-CB 3.42Å; L58-C63 PolarHBondContact O-N 2.94Å; L58-C63 VanDerWaalsContact O-N 3.15Å; C63-L65 HydrophobicContact CB-CD2 3.82Å; C63-L65 PolarHBondContact O-N 3.18Å
64	Q	96.2	Very high	97	Very high	115 Å²	115	58.4 Å²	58.4	54%	0.537	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	106.3	169	-67	-176.3	10	0	0	109	A23 H24 S25 V26	A23-Q64 HydrophobicContact CB-CG 3.96Å; H24-Q64 PolarHBondContact O-N 3.48Å; S25-Q64 CarbonylContact C-O 2.96Å; S25-Q64 WeakPolarHBondContact CA-O 3.45Å; V26-Q64 PolarHBondContact N-O 3.42Å
65	L	97.8	Very high	96.9	Very high	53 Å²	53	67.5 Å²	67.5	28%	0.277	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	136.7	-171.8	-61.1	-174.1	0	0	0	113.1	V26 L55 L58 S59 C63	V26-L65 HydrophobicContact CB-CD2 3.9Å; V26-L65 HydrophobicContact CG1-CD2 4.47Å; V26-L65 WeakPolarHBondContact O-CA 3.28Å; L55-L65 HydrophobicContact CB-CD1 4.3Å; L55-L65 HydrophobicContact CD2-CD1 4.38Å; L55-L65 VanDerWaalsContact O-CD1 3.31Å; L55-L65 WeakPolarHBondContact O-CD1 3.25Å; L58-L65 HydrophobicContact CB-CD1 4.08Å; L58-L65 HydrophobicContact CB-CD2 3.79Å; L58-L65 HydrophobicContact CB-CG 4.46Å; L58-L65 HydrophobicContact CD1-CD2 4.1Å; S59-L65 VanDerWaalsContact OG-CD1 3.29Å; S59-L65 WeakPolarHBondContact OG-CD1 3.31Å; C63-L65 HydrophobicContact CB-CD2 3.82Å; C63-L65 PolarHBondContact O-N 3.18Å
66	K	98.3	Very high	96.8	Very high	57 Å²	57	66.9 Å²	66.9	25%	0.248	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	105.1	162	-176.9	174.4	179.9	177.8	0	108.8	V26 A27 V28 F68 D109 Y111	V26-K66 PolarHBondContact O-N 3.43Å; A27-K66 CarbonylContact C-O 3.57Å; A27-K66 VanDerWaalsContact CA-O 3.24Å; A27-K66 WeakPolarHBondContact CA-O 3.25Å; V28-K66 PolarHBondContact N-O 3.07Å; K66-F68 HydrophobicContact CB-CE2 4.45Å; K66-F68 HydrophobicContact CD-CE2 3.65Å; K66-F68 HydrophobicContact CD-CZ 3.87Å; K66-F68 HydrophobicContact CG-CD2 4.15Å; K66-F68 HydrophobicContact CG-CE2 3.7Å; K66-F68 HydrophobicContact CG-CZ 4.32Å; K66-D109 IonicContact NZ-OD2 3.79Å; K66-D109 PolarHBondContact NZ-OD2 3.12Å; K66-Y111 HydrophobicContact CB-CD1 4.08Å; K66-Y111 HydrophobicContact CB-CE1 3.53Å; K66-Y111 HydrophobicContact CB-CE2 4.43Å; K66-Y111 HydrophobicContact CD-CD2 4.33Å; K66-Y111 HydrophobicContact CD-CE1 4.3Å; K66-Y111 HydrophobicContact CD-CE2 3.68Å
67	D	98.4	Very high	96.5	Very high	73 Å²	73	64.9 Å²	64.9	39%	0.39	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	117.4	177.2	-169	0.9	0	0	0	110.1	R50 L55 G69	R50-D67 IonicContact CZ-OD1 3.87Å; R50-D67 IonicContact CZ-OD2 3.09Å; R50-D67 IonicContact NH1-OD1 3.69Å; R50-D67 PolarHBondContact NH1-OD1 3.1Å; R50-D67 IonicContact NH1-OD2 2.61Å; R50-D67 PolarHBondContact NH1-OD2 3.24Å; R50-D67 IonicContact NH2-OD1 2.72Å; R50-D67 PolarHBondContact NH2-OD1 3.28Å; R50-D67 IonicContact NH2-OD2 3.43Å; L55-D67 VanDerWaalsContact CD1-OD2 3.26Å; L55-D67 WeakPolarHBondContact CD1-OD2 2.98Å; D67-G69 WeakPolarHBondContact OD1-CA 3.34Å; D67-G69 PolarHBondContact OD1-N 3.37Å
68	F	98.1	Very high	96.2	Very high	58 Å²	58	70.3 Å²	70.3	25%	0.254	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-2.1	174.8	-76.3	-101	0	0	0	112.4	A27 V28 V29 K66 V102 A106	A27-F68 HydrophobicContact CB-CD2 4.2Å; A27-F68 HydrophobicContact CB-CE2 3.8Å; V28-F68 PolarHBondContact O-N 2.85Å; V29-F68 HydrophobicContact CG2-CB 4.08Å; V29-F68 HydrophobicContact CG2-CD2 4.11Å; V29-F68 HydrophobicContact CG2-CG 4.21Å; K66-F68 HydrophobicContact CB-CE2 4.45Å; K66-F68 HydrophobicContact CD-CE2 3.65Å; K66-F68 HydrophobicContact CD-CZ 3.87Å; K66-F68 HydrophobicContact CG-CD2 4.15Å; K66-F68 HydrophobicContact CG-CE2 3.7Å; K66-F68 HydrophobicContact CG-CZ 4.32Å; F68-V102 HydrophobicContact CD1-CG1 3.95Å; F68-V102 HydrophobicContact CE1-CG1 4.31Å; F68-V102 HydrophobicContact CG-CG1 4.3Å; F68-A106 HydrophobicContact CE2-CB 4.12Å; F68-A106 HydrophobicContact CZ-CB 4.23Å
69	G	98.4	Very high	96.2	Very high	25 Å²	25	71.1 Å²	71.1	26%	0.258	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	69.8	-159.8	-172.3	0	0	0	0	0	111.6	G30 R50 D67	G30-G69 PolarHBondContact N-O 3.15Å; R50-G69 PolarHBondContact NH2-O 2.89Å; R50-G69 VanDerWaalsContact NH2-O 3.14Å; D67-G69 WeakPolarHBondContact OD1-CA 3.34Å; D67-G69 PolarHBondContact OD1-N 3.37Å
70	D	98.7	Very high	96.2	Very high	66 Å²	66	73.1 Å²	73.1	35%	0.353	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	129.3	177.2	-65.1	-3.3	0	0	0	109.2	G30 P32 R50	G30-D70 WeakPolarHBondContact CA-OD1 3.35Å; G30-D70 WeakPolarHBondContact O-CA 3.13Å; P32-D70 HydrophobicContact CG-CB 4.17Å; R50-D70 IonicContact CZ-OD1 3.68Å; R50-D70 IonicContact NE-OD1 3.97Å; R50-D70 PolarHBondContact NE-OD1 2.8Å; R50-D70 IonicContact NH2-OD1 2.88Å; R50-D70 PolarHBondContact NH2-OD1 2.86Å
71	L	98.4	Very high	96.4	Very high	31 Å²	31	72 Å²	72	16%	0.162	40%	0.396	C	S	.	.			trans	-68	140.2	-179.1	-60.6	-175.5	0	0	0	110.9	V29 G30 P32 F73 L99 V102	V29-L71 HydrophobicContact CG1-CD1 3.86Å; V29-L71 HydrophobicContact CG1-CD2 4.23Å; V29-L71 HydrophobicContact CG1-CG 3.85Å; G30-L71 WeakPolarHBondContact O-CG 3.38Å; G30-L71 PolarHBondContact O-N 3.4Å; P32-L71 WeakPolarHBondContact CG-O 3.39Å; L71-F73 HydrophobicContact CB-CE1 4.06Å; L71-F73 HydrophobicContact CB-CE2 4.25Å; L71-F73 HydrophobicContact CB-CZ 3.89Å; L71-F73 HydrophobicContact CD1-CE1 3.96Å; L71-F73 HydrophobicContact CD1-CZ 4.05Å; L71-L99 HydrophobicContact CD1-CB 4.48Å; L71-L99 HydrophobicContact CD1-CD1 3.76Å; L71-V102 HydrophobicContact CD1-CB 4.47Å; L71-V102 HydrophobicContact CD1-CG2 4.14Å; L71-V102 HydrophobicContact CD2-CG1 4.45Å; L71-V102 HydrophobicContact CD2-CG2 4Å
72	S	98	Very high	96.6	Very high	118 Å²	118	73.9 Å²	73.9	83%	0.825	40%	0.401	S	S	*	.			trans	-100.2	98.5	170.1	-67.8	0	0	0	0	109
73	F	97.9	Very high	96.7	Very high	34 Å²	34	77.4 Å²	77.4	15%	0.149	41%	0.41	C	S	.	.	P	Polyproline II helix	trans	-71.7	137.9	-177.1	-63.4	-66.9	0	0	0	112.6	A31 F33 L71 K75 A95 E98 L99	A31-F73 HydrophobicContact CB-CE2 4.34Å; A31-F73 HydrophobicContact CB-CZ 3.96Å; F33-F73 HydrophobicContact CB-CD2 3.96Å; F33-F73 HydrophobicContact CB-CE2 3.66Å; F33-F73 HydrophobicContact CB-CZ 4.41Å; F33-F73 AromaticContact CD2-CD2 3.93Å; F33-F73 HydrophobicContact CD2-CD2 3.93Å; F33-F73 HydrophobicContact CD2-CE2 4.4Å; F33-F73 HydrophobicContact CD2-CG 4.28Å; F33-F73 HydrophobicContact CG-CD2 4.4Å; F33-F73 HydrophobicContact CG-CE2 4.43Å; L71-F73 HydrophobicContact CB-CE1 4.06Å; L71-F73 HydrophobicContact CB-CE2 4.25Å; L71-F73 HydrophobicContact CB-CZ 3.89Å; L71-F73 HydrophobicContact CD1-CE1 3.96Å; L71-F73 HydrophobicContact CD1-CZ 4.05Å; F73-K75 PolarHBondContact O-N 2.84Å; F73-A95 HydrophobicContact CB-CB 4.17Å; F73-A95 HydrophobicContact CD1-CB 3.52Å; F73-A95 HydrophobicContact CE1-CB 3.98Å; F73-A95 WeakPolarHBondContact CE1-O 3.38Å; F73-A95 HydrophobicContact CG-CB 3.81Å; F73-E98 WeakPolarHBondContact CA-OE2 3.43Å; F73-L99 HydrophobicContact CE1-CB 4.39Å
74	T	97.3	Very high	96.7	Very high	79 Å²	79	84.3 Å²	84.3	49%	0.485	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-63	123.7	177.6	-63	0	0	0	0	110.7	V76 L94 E98	T74-V76 PolarHBondContact O-N 3.15Å; T74-L94 HydrophobicContact CG2-CD2 3.82Å; T74-E98 WeakPolarHBondContact CB-OE1 3.43Å; T74-E98 PolarHBondContact N-OE2 3.26Å; T74-E98 PolarHBondContact OG1-OE1 2.67Å
75	K	96	Very high	96.7	Very high	191 Å²	191	82.2 Å²	82.2	83%	0.83	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-73.1	127.3	177.4	-65.8	-177.5	-179.6	178.7	0	110.6	F73 P77	F73-K75 PolarHBondContact O-N 2.84Å; K75-P77 WeakPolarHBondContact O-CD 3.21Å
76	V	96.5	Very high	96.7	Very high	38 Å²	38	79.7 Å²	79.7	23%	0.23	43%	0.425	C	S	.	.			trans	-94.6	114.4	173.3	-175.6	0	0	0	0	109.6	T74 D79 R90 L94	T74-V76 PolarHBondContact O-N 3.15Å; V76-D79 HydrophobicContact CG1-CB 4.41Å; V76-R90 HydrophobicContact CB-CB 4.49Å; V76-R90 HydrophobicContact CG1-CB 3.85Å; V76-R90 HydrophobicContact CG2-CB 4.42Å; V76-L94 HydrophobicContact CG2-CB 4.36Å; V76-L94 HydrophobicContact CG2-CD2 3.7Å
77	P	91.2	Very high	96.7	Very high	112 Å²	112	78 Å²	78	73%	0.727	42%	0.419	S	S	*	.	S	Bend	trans	-71.7	139.5	174.4	29.7	-32.7	0	0	0	110.2	K75	K75-P77 WeakPolarHBondContact O-CD 3.21Å
78	K	91.3	Very high	96.6	Very high	187 Å²	187	79.2 Å²	79.2	81%	0.813	42%	0.419	S	S	*	.			trans	54.6	66.2	177	-59.3	-178.8	179.2	-179	0	113.2	D80	K78-D80 PolarHBondContact O-N 3.47Å
79	D	96.5	Very high	96.6	Very high	16 Å²	16	76.4 Å²	76.4	9%	0.086	41%	0.407	C	S	.	.			trans	-94.5	73.4	175.6	-165.3	15.1	0	0	0	111.6	V76 Y88 P89 R90 S91	V76-D79 HydrophobicContact CG1-CB 4.41Å; D79-Y88 WeakPolarHBondContact OD2-CA 3.44Å; D79-Y88 VanDerWaalsContact OD2-O 3.11Å; D79-P89 WeakPolarHBondContact OD1-CD 3.38Å; D79-R90 VanDerWaalsContact OD1-CB 3.22Å; D79-R90 WeakPolarHBondContact OD1-CB 3.29Å; D79-R90 WeakPolarHBondContact OD1-CD 3.44Å; D79-R90 WeakPolarHBondContact OD1-CG 3.33Å; D79-R90 IonicContact OD1-CZ 3.12Å; D79-R90 PolarHBondContact OD1-N 2.97Å; D79-R90 VanDerWaalsContact OD1-N 3.1Å; D79-R90 IonicContact OD1-NH1 3.12Å; D79-R90 PolarHBondContact OD1-NH1 3.35Å; D79-R90 PolarHBondContact OD2-N 3.29Å; D79-S91 WeakPolarHBondContact OD2-CB 3.23Å; D79-S91 PolarHBondContact OD2-N 2.8Å
80	D	96.4	Very high	96.6	Very high	111 Å²	111	79.3 Å²	79.3	59%	0.594	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-64.9	143.1	-179.5	-62.2	-39.5	0	0	0	111	K78 R90	K78-D80 PolarHBondContact O-N 3.47Å; D80-R90 PolarHBondContact O-NH1 2.77Å
81	P	97.1	Very high	96.6	Very high	63 Å²	63	76.3 Å²	76.3	41%	0.409	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-55.9	141.7	-178.7	-25.2	33.6	0	0	0	113.1	V86 V87	P81-V86 CarbonylContact C-O 3.48Å; P81-V86 WeakPolarHBondContact CA-O 3.39Å; P81-V86 WeakPolarHBondContact CB-O 3.48Å; P81-V87 HydrophobicContact CG-CG1 4.49Å
82	Y	97.4	Very high	96.7	Very high	69 Å²	69	74.9 Å²	74.9	27%	0.271	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-76.6	132.3	169.6	175.8	-90.4	0	0	0	110.1	N84 L85 V86 P176 L178 P179	Y82-N84 PolarHBondContact O-N 3.48Å; Y82-N84 VanDerWaalsContact O-N 3.13Å; Y82-L85 PolarHBondContact O-N 3.01Å; Y82-V86 PolarHBondContact N-O 3.33Å; Y82-V86 PolarHBondContact O-N 2.99Å; Y82-P176 HydrophobicContact CE1-CG 4.36Å; Y82-L178 HydrophobicContact CD1-CD2 3.26Å; Y82-L178 HydrophobicContact CD2-CD2 3.88Å; Y82-L178 HydrophobicContact CE1-CD2 3.49Å; Y82-L178 VanDerWaalsContact CE1-CD2 3.49Å; Y82-L178 HydrophobicContact CE2-CD2 4.06Å; Y82-L178 HydrophobicContact CG-CD2 3.46Å; Y82-L178 VanDerWaalsContact CG-CD2 3.46Å; Y82-P179 HydrophobicContact CD2-CG 4.26Å
83	N	95.3	Very high	96.7	Very high	118 Å²	118	69.2 Å²	69.2	63%	0.631	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	33.8	-179.6	-157.1	29.8	0	0	0	113.8	L85	N83-L85 PolarHBondContact O-N 3.09Å
84	N	95.2	Very high	96.7	Very high	157 Å²	157	69.9 Å²	69.9	84%	0.84	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	16.4	-176.7	-57.9	-48.3	0	0	0	115.5	Y82	Y82-N84 PolarHBondContact O-N 3.48Å; Y82-N84 VanDerWaalsContact O-N 3.13Å
85	L	97.1	Very high	96.8	Very high	70 Å²	70	66.3 Å²	66.3	37%	0.366	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	-56.8	-175.5	-178.6	61.6	0	0	0	112.4	Y82 N83 V87 T154 G157	Y82-L85 PolarHBondContact O-N 3.01Å; N83-L85 PolarHBondContact O-N 3.09Å; L85-V87 PolarHBondContact O-N 3.4Å; L85-T154 HydrophobicContact CD2-CG2 4.35Å; L85-T154 WeakPolarHBondContact CD2-O 3.36Å; L85-G157 WeakPolarHBondContact O-CA 3.47Å
86	V	97.9	Very high	96.9	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-74.4	112	-173.7	179.1	0	0	0	0	109.5	P81 Y82 P151 T154 G157 I159 L178	P81-V86 CarbonylContact C-O 3.48Å; P81-V86 WeakPolarHBondContact CA-O 3.39Å; P81-V86 WeakPolarHBondContact CB-O 3.48Å; Y82-V86 PolarHBondContact N-O 3.33Å; Y82-V86 PolarHBondContact O-N 2.99Å; V86-P151 HydrophobicContact CG2-CB 4.16Å; V86-T154 HydrophobicContact CG2-CG2 4.24Å; V86-G157 WeakPolarHBondContact CA-O 3.45Å; V86-I159 HydrophobicContact CG1-CD1 3.7Å; V86-I159 HydrophobicContact CG1-CG1 3.62Å; V86-L178 HydrophobicContact CG1-CD1 4.05Å
87	V	96.7	Very high	97.1	Very high	20 Å²	20	58.7 Å²	58.7	12%	0.121	30%	0.296	C	S	.	.			trans	-84.8	144.2	-172.2	-63.9	0	0	0	0	111.8	P81 L85 P89 G157	P81-V87 HydrophobicContact CG-CG1 4.49Å; L85-V87 PolarHBondContact O-N 3.4Å; V87-P89 VanDerWaalsContact C-CD 3.45Å; V87-G157 PolarHBondContact N-O 2.9Å
88	Y	97.8	Very high	97.4	Very high	99 Å²	99	55.6 Å²	55.6	39%	0.388	27%	0.271	S	S	.	.			trans	51.3	42	174.5	-47.2	-60.5	0	0	0	116.8	Q35 D79 R90 S91 V92	Q35-Y88 HydrophobicContact CB-CD2 3.91Å; Q35-Y88 HydrophobicContact CB-CG 4.02Å; Q35-Y88 WeakPolarHBondContact O-CD2 3.3Å; D79-Y88 WeakPolarHBondContact OD2-CA 3.44Å; D79-Y88 VanDerWaalsContact OD2-O 3.11Å; Y88-R90 VanDerWaalsContact C-N 3.34Å; Y88-R90 PolarHBondContact O-N 3.22Å; Y88-S91 PolarHBondContact O-N 3.41Å; Y88-V92 WeakPolarHBondContact O-CG2 3.32Å; Y88-V92 PolarHBondContact O-N 3.41Å
89	P	98.3	Very high	97.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-62.7	-36.2	-174.3	28.2	-36.2	0	0	0	113.2	D79 V87 G93 I159 L178 P179 F181	D79-P89 WeakPolarHBondContact OD1-CD 3.38Å; V87-P89 VanDerWaalsContact C-CD 3.45Å; P89-G93 PolarHBondContact O-N 2.9Å; P89-I159 HydrophobicContact CB-CD1 4.41Å; P89-L178 HydrophobicContact CB-CB 4.49Å; P89-L178 HydrophobicContact CB-CD1 4.48Å; P89-P179 CarbonylContact C-O 3.58Å; P89-F181 WeakPolarHBondContact O-CE2 3.33Å
90	R	98.6	Very high	97.9	Very high	85 Å²	85	46 Å²	46	32%	0.321	23%	0.229	S	C	.	.	H	α-helix	trans	-74.7	-40.6	-177.6	-58.4	168.6	-170.7	78.3	-3.6	111.4	V76 D79 D80 Y88 L94 P179	V76-R90 HydrophobicContact CB-CB 4.49Å; V76-R90 HydrophobicContact CG1-CB 3.85Å; V76-R90 HydrophobicContact CG2-CB 4.42Å; D79-R90 VanDerWaalsContact OD1-CB 3.22Å; D79-R90 WeakPolarHBondContact OD1-CB 3.29Å; D79-R90 WeakPolarHBondContact OD1-CD 3.44Å; D79-R90 WeakPolarHBondContact OD1-CG 3.33Å; D79-R90 IonicContact OD1-CZ 3.12Å; D79-R90 PolarHBondContact OD1-N 2.97Å; D79-R90 VanDerWaalsContact OD1-N 3.1Å; D79-R90 IonicContact OD1-NH1 3.12Å; D79-R90 PolarHBondContact OD1-NH1 3.35Å; D79-R90 PolarHBondContact OD2-N 3.29Å; D80-R90 PolarHBondContact O-NH1 2.77Å; Y88-R90 VanDerWaalsContact C-N 3.34Å; Y88-R90 PolarHBondContact O-N 3.22Å; R90-L94 VanDerWaalsContact O-CB 3.26Å; R90-L94 WeakPolarHBondContact O-CB 3.29Å; R90-L94 PolarHBondContact O-N 3Å; R90-P179 HydrophobicContact CG-CB 3.72Å
91	S	98.7	Very high	98	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.028	23%	0.225	C	C	.	.	H	α-helix	trans	-59.6	-50.3	174.2	-89.3	0	0	0	0	111	Q35 D79 Y88 L94 A95	Q35-S91 PolarHBondContact NE2-OG 3.4Å; Q35-S91 VanDerWaalsContact OE1-CB 3.22Å; Q35-S91 PolarHBondContact OE1-OG 2.99Å; D79-S91 WeakPolarHBondContact OD2-CB 3.23Å; D79-S91 PolarHBondContact OD2-N 2.8Å; Y88-S91 PolarHBondContact O-N 3.41Å; S91-L94 PolarHBondContact O-N 3.36Å; S91-A95 VanDerWaalsContact O-CB 3.29Å; S91-A95 WeakPolarHBondContact O-CB 3.14Å; S91-A95 PolarHBondContact O-N 3.35Å
92	V	98.8	Very high	98.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.5	-45.4	179.1	179.3	0	0	0	0	110.8	F33 Q35 Y88 N96 I159 F181	F33-V92 HydrophobicContact CE1-CB 4.28Å; F33-V92 HydrophobicContact CE1-CG1 4.38Å; F33-V92 HydrophobicContact CE1-CG2 3.76Å; F33-V92 HydrophobicContact CZ-CB 4.15Å; F33-V92 HydrophobicContact CZ-CG2 3.72Å; Q35-V92 HydrophobicContact CB-CG2 4.47Å; Q35-V92 WeakPolarHBondContact O-CG2 3.38Å; Y88-V92 WeakPolarHBondContact O-CG2 3.32Å; Y88-V92 PolarHBondContact O-N 3.41Å; V92-N96 WeakPolarHBondContact O-CB 3.41Å; V92-N96 PolarHBondContact O-N 3.36Å; V92-N96 VanDerWaalsContact O-N 3.09Å; V92-N96 PolarHBondContact O-ND2 3.27Å; V92-I159 HydrophobicContact CB-CD1 3.93Å; V92-I159 HydrophobicContact CG1-CB 4.21Å; V92-I159 HydrophobicContact CG1-CD1 4.14Å; V92-I159 HydrophobicContact CG1-CG2 3.76Å; V92-I159 HydrophobicContact CG2-CB 4.46Å; V92-I159 HydrophobicContact CG2-CD1 3.91Å; V92-F181 HydrophobicContact CB-CE2 4.46Å; V92-F181 HydrophobicContact CB-CZ 4.32Å; V92-F181 HydrophobicContact CG1-CZ 3.92Å
93	G	98.8	Very high	98.2	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.5	-44.9	178.8	0	0	0	0	0	113.2	P89 Q97 G180 W183	P89-G93 PolarHBondContact O-N 2.9Å; G93-Q97 PolarHBondContact O-N 2.76Å; G93-G180 CarbonylContact C-O 3.58Å; G93-G180 VanDerWaalsContact CA-O 3.27Å; G93-G180 WeakPolarHBondContact CA-O 3.37Å; G93-W183 PolarHBondContact O-NE1 3.02Å
94	L	98.8	Very high	98.3	Very high	47 Å²	47	36 Å²	36	25%	0.246	18%	0.175	C	C	.	.	H	α-helix	trans	-70.1	-44.6	-179.9	-177.8	59.2	0	0	0	112.2	T74 V76 R90 S91 N96 Q97 E98	T74-L94 HydrophobicContact CG2-CD2 3.82Å; V76-L94 HydrophobicContact CG2-CB 4.36Å; V76-L94 HydrophobicContact CG2-CD2 3.7Å; R90-L94 VanDerWaalsContact O-CB 3.26Å; R90-L94 WeakPolarHBondContact O-CB 3.29Å; R90-L94 PolarHBondContact O-N 3Å; S91-L94 PolarHBondContact O-N 3.36Å; L94-N96 VanDerWaalsContact C-N 3.29Å; L94-N96 PolarHBondContact O-N 3.21Å; L94-Q97 WeakPolarHBondContact O-CB 3.32Å; L94-Q97 PolarHBondContact O-N 3.47Å; L94-Q97 VanDerWaalsContact O-N 3.08Å; L94-E98 WeakPolarHBondContact O-CG 3.44Å; L94-E98 PolarHBondContact O-N 2.98Å
95	A	98.8	Very high	98.5	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.033	16%	0.163	C	C	.	.	H	α-helix	trans	-59.3	-42.2	177.5	0	0	0	0	0	111.6	F33 F73 S91 Q97 E98 L99	F33-A95 HydrophobicContact CD2-CB 3.63Å; F33-A95 HydrophobicContact CE2-CB 3.47Å; F33-A95 VanDerWaalsContact CE2-CB 3.47Å; F33-A95 HydrophobicContact CG-CB 4.29Å; F33-A95 HydrophobicContact CZ-CB 4.01Å; F73-A95 HydrophobicContact CB-CB 4.17Å; F73-A95 HydrophobicContact CD1-CB 3.52Å; F73-A95 HydrophobicContact CE1-CB 3.98Å; F73-A95 WeakPolarHBondContact CE1-O 3.38Å; F73-A95 HydrophobicContact CG-CB 3.81Å; S91-A95 VanDerWaalsContact O-CB 3.29Å; S91-A95 WeakPolarHBondContact O-CB 3.14Å; S91-A95 PolarHBondContact O-N 3.35Å; A95-Q97 VanDerWaalsContact C-N 3.34Å; A95-Q97 PolarHBondContact O-N 2.86Å; A95-E98 PolarHBondContact O-N 3.1Å; A95-L99 WeakPolarHBondContact O-CB 3.43Å; A95-L99 PolarHBondContact O-N 2.85Å
96	N	98.9	Very high	98.6	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.011	15%	0.145	C	C	.	.	H	α-helix	trans	-68.3	-31.3	175.8	-83.6	-75.3	0	0	0	113.2	V92 L94 A100 S121 L122 I124 G125 W183	V92-N96 WeakPolarHBondContact O-CB 3.41Å; V92-N96 PolarHBondContact O-N 3.36Å; V92-N96 VanDerWaalsContact O-N 3.09Å; V92-N96 PolarHBondContact O-ND2 3.27Å; L94-N96 VanDerWaalsContact C-N 3.29Å; L94-N96 PolarHBondContact O-N 3.21Å; N96-A100 VanDerWaalsContact O-CB 3.28Å; N96-A100 WeakPolarHBondContact O-CB 3.47Å; N96-A100 PolarHBondContact O-N 3.21Å; N96-S121 PolarHBondContact ND2-O 3.34Å; N96-S121 VanDerWaalsContact ND2-O 3.15Å; N96-S121 PolarHBondContact OD1-O 2.69Å; N96-S121 VanDerWaalsContact OD1-O 3.07Å; N96-L122 VanDerWaalsContact OD1-C 3.25Å; N96-L122 WeakPolarHBondContact OD1-CA 3.34Å; N96-L122 PolarHBondContact OD1-O 3.05Å; N96-I124 HydrophobicContact CB-CB 4.27Å; N96-I124 HydrophobicContact CB-CG2 4.2Å; N96-G125 VanDerWaalsContact O-CA 3.27Å; N96-G125 WeakPolarHBondContact O-CA 3.44Å; N96-G125 WeakPolarHBondContact OD1-CA 3.47Å; N96-G125 PolarHBondContact OD1-N 2.85Å; N96-W183 VanDerWaalsContact C-CZ2 3.41Å; N96-W183 HydrophobicContact CB-CH2 4.09Å; N96-W183 HydrophobicContact CB-CZ2 3.62Å; N96-W183 WeakPolarHBondContact O-CH2 3.4Å
97	Q	98.9	Very high	98.6	Very high	68 Å²	68	32.7 Å²	32.7	32%	0.318	15%	0.146	S	C	.	.	H	α-helix	trans	-64.4	-48	174.1	-169.4	178.4	-2.3	0	0	110.9	G93 L94 A95 A100 E101 W183	G93-Q97 PolarHBondContact O-N 2.76Å; L94-Q97 WeakPolarHBondContact O-CB 3.32Å; L94-Q97 PolarHBondContact O-N 3.47Å; L94-Q97 VanDerWaalsContact O-N 3.08Å; A95-Q97 VanDerWaalsContact C-N 3.34Å; A95-Q97 PolarHBondContact O-N 2.86Å; Q97-A100 PolarHBondContact O-N 3.26Å; Q97-E101 PolarHBondContact O-N 3.38Å; Q97-W183 HydrophobicContact CB-CD2 3.93Å; Q97-W183 HydrophobicContact CB-CG 4.18Å; Q97-W183 HydrophobicContact CB-CZ2 4.01Å; Q97-W183 HydrophobicContact CG-CB 4.49Å; Q97-W183 HydrophobicContact CG-CD2 3.89Å; Q97-W183 HydrophobicContact CG-CE3 4.37Å; Q97-W183 HydrophobicContact CG-CG 3.91Å
98	E	98.8	Very high	98.7	Very high	47 Å²	47	34.6 Å²	34.6	22%	0.22	16%	0.161	C	C	.	.	H	α-helix	trans	-61	-45.6	176.6	-67.9	175.3	172.7	0	0	110.8	F73 T74 L94 A95 A100 E101 V102	F73-E98 WeakPolarHBondContact CA-OE2 3.43Å; T74-E98 WeakPolarHBondContact CB-OE1 3.43Å; T74-E98 PolarHBondContact N-OE2 3.26Å; T74-E98 PolarHBondContact OG1-OE1 2.67Å; L94-E98 WeakPolarHBondContact O-CG 3.44Å; L94-E98 PolarHBondContact O-N 2.98Å; A95-E98 PolarHBondContact O-N 3.1Å; E98-A100 PolarHBondContact O-N 3.23Å; E98-E101 PolarHBondContact O-N 2.86Å; E98-V102 PolarHBondContact O-N 3.27Å
99	L	98.9	Very high	98.7	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-62	-42.3	177.1	-178.6	57.8	0	0	0	112.2	V29 A31 L71 F73 A95 E101 V102 V103 T115 L122 T126	V29-L99 HydrophobicContact CG1-CD1 4.14Å; A31-L99 HydrophobicContact CB-CD1 4.38Å; A31-L99 HydrophobicContact CB-CD2 4.26Å; L71-L99 HydrophobicContact CD1-CB 4.48Å; L71-L99 HydrophobicContact CD1-CD1 3.76Å; F73-L99 HydrophobicContact CE1-CB 4.39Å; A95-L99 WeakPolarHBondContact O-CB 3.43Å; A95-L99 PolarHBondContact O-N 2.85Å; L99-E101 PolarHBondContact O-N 3.22Å; L99-V102 PolarHBondContact O-N 3.26Å; L99-V102 VanDerWaalsContact O-N 3.17Å; L99-V103 HydrophobicContact CD1-CG2 3.98Å; L99-V103 HydrophobicContact CG-CG2 4.32Å; L99-V103 WeakPolarHBondContact O-CG2 3.3Å; L99-V103 PolarHBondContact O-N 3.25Å; L99-T115 HydrophobicContact CD1-CG2 4.18Å; L99-T115 HydrophobicContact CD2-CG2 4.41Å; L99-L122 HydrophobicContact CD2-CB 3.78Å; L99-L122 HydrophobicContact CD2-CD1 4.46Å; L99-T126 HydrophobicContact CD1-CG2 4.47Å; L99-T126 HydrophobicContact CD2-CG2 3.67Å; L99-T126 HydrophobicContact CG-CG2 4.07Å
100	A	98.9	Very high	98.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.2	-34.3	177.9	0	0	0	0	0	112.6	N96 Q97 E98 S104 G125 G129 W183	N96-A100 VanDerWaalsContact O-CB 3.28Å; N96-A100 WeakPolarHBondContact O-CB 3.47Å; N96-A100 PolarHBondContact O-N 3.21Å; Q97-A100 PolarHBondContact O-N 3.26Å; E98-A100 PolarHBondContact O-N 3.23Å; A100-S104 WeakPolarHBondContact O-CB 3.5Å; A100-S104 PolarHBondContact O-N 3.38Å; A100-G125 VanDerWaalsContact CA-O 3.24Å; A100-G125 WeakPolarHBondContact CA-O 3.2Å; A100-G125 VanDerWaalsContact CB-O 3.28Å; A100-G125 WeakPolarHBondContact CB-O 3.33Å; A100-G129 WeakPolarHBondContact O-CA 3.26Å; A100-W183 HydrophobicContact CB-CH2 4.03Å; A100-W183 HydrophobicContact CB-CZ3 3.84Å
101	E	98.8	Very high	98.6	Very high	107 Å²	107	34.4 Å²	34.4	50%	0.5	18%	0.181	S	C	.	.	H	α-helix	trans	-68.7	-43.2	175.5	-69	179	-176.8	0	0	112.1	Q97 E98 L99 R105	Q97-E101 PolarHBondContact O-N 3.38Å; E98-E101 PolarHBondContact O-N 2.86Å; L99-E101 PolarHBondContact O-N 3.22Å; E101-R105 WeakPolarHBondContact O-CB 3.33Å; E101-R105 PolarHBondContact O-N 3.33Å
102	V	98.8	Very high	98.6	Very high	29 Å²	29	35.5 Å²	35.5	18%	0.176	19%	0.189	C	C	.	.	H	α-helix	trans	-64.6	-47	177.8	178.2	0	0	0	0	110.9	V29 F68 L71 E98 L99 R105 A106	V29-V102 HydrophobicContact CG1-CG1 4.01Å; V29-V102 HydrophobicContact CG2-CG1 3.88Å; F68-V102 HydrophobicContact CD1-CG1 3.95Å; F68-V102 HydrophobicContact CE1-CG1 4.31Å; F68-V102 HydrophobicContact CG-CG1 4.3Å; L71-V102 HydrophobicContact CD1-CB 4.47Å; L71-V102 HydrophobicContact CD1-CG2 4.14Å; L71-V102 HydrophobicContact CD2-CG1 4.45Å; L71-V102 HydrophobicContact CD2-CG2 4Å; E98-V102 PolarHBondContact O-N 3.27Å; L99-V102 PolarHBondContact O-N 3.26Å; L99-V102 VanDerWaalsContact O-N 3.17Å; V102-R105 PolarHBondContact O-N 3.11Å; V102-A106 PolarHBondContact O-N 3.48Å
103	V	98.9	Very high	98.6	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	19%	0.189	C	C	.	.	H	α-helix	trans	-64.7	-43.9	178.5	174.5	0	0	0	0	111	L99 R105 A106 V107 C113 T126 H130	L99-V103 HydrophobicContact CD1-CG2 3.98Å; L99-V103 HydrophobicContact CG-CG2 4.32Å; L99-V103 WeakPolarHBondContact O-CG2 3.3Å; L99-V103 PolarHBondContact O-N 3.25Å; V103-R105 VanDerWaalsContact C-N 3.28Å; V103-R105 PolarHBondContact O-N 3.44Å; V103-A106 PolarHBondContact O-N 2.97Å; V103-V107 HydrophobicContact CG1-CG2 4.29Å; V103-V107 WeakPolarHBondContact O-CG2 3.25Å; V103-V107 PolarHBondContact O-N 3.1Å; V103-C113 HydrophobicContact CG1-CB 4.35Å; V103-T126 WeakPolarHBondContact CG1-O 3.47Å; V103-T126 HydrophobicContact CG2-CG2 4.25Å; V103-H130 HydrophobicContact CG1-CB 4.27Å
104	S	98.8	Very high	98.6	Very high	12 Å²	12	35.5 Å²	35.5	8%	0.084	19%	0.189	C	C	.	.	H	α-helix	trans	-55.3	-45.1	174.4	-173.1	0	0	0	0	111.2	A100 S108 G129 R132 H133	A100-S104 WeakPolarHBondContact O-CB 3.5Å; A100-S104 PolarHBondContact O-N 3.38Å; S104-S108 WeakPolarHBondContact O-CB 3.41Å; S104-S108 PolarHBondContact O-N 2.86Å; S104-S108 PolarHBondContact O-OG 3.34Å; S104-G129 WeakPolarHBondContact CA-O 3.37Å; S104-R132 WeakPolarHBondContact OG-CD 3.35Å; S104-H133 PolarHBondContact O-CD2 3.44Å; S104-H133 PolarHBondContact O-NE2 3.06Å; S104-H133 PolarHBondContact OG-CD2 3.16Å; S104-H133 PolarHBondContact OG-NE2 2.9Å
105	R	98.6	Very high	98.6	Very high	154 Å²	154	33.3 Å²	33.3	58%	0.581	18%	0.177	S	C	*	.	H	α-helix	trans	-65.7	-44.7	178.3	-175.8	178.5	179.7	179.3	1.5	112.5	E101 V102 V103 V107 S108 D109	E101-R105 WeakPolarHBondContact O-CB 3.33Å; E101-R105 PolarHBondContact O-N 3.33Å; V102-R105 PolarHBondContact O-N 3.11Å; V103-R105 VanDerWaalsContact C-N 3.28Å; V103-R105 PolarHBondContact O-N 3.44Å; R105-V107 VanDerWaalsContact C-N 3.34Å; R105-V107 PolarHBondContact O-N 3.28Å; R105-S108 WeakPolarHBondContact CA-OG 3.44Å; R105-S108 PolarHBondContact O-N 3.19Å; R105-S108 PolarHBondContact O-OG 3.29Å; R105-D109 WeakPolarHBondContact O-CB 3.4Å; R105-D109 PolarHBondContact O-N 2.87Å
106	A	98.5	Very high	98.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.7	-46.4	177.9	0	0	0	0	0	111.3	A27 F68 V102 V103 D109 G110 Y111 C113	A27-A106 HydrophobicContact CB-CB 3.73Å; F68-A106 HydrophobicContact CE2-CB 4.12Å; F68-A106 HydrophobicContact CZ-CB 4.23Å; V102-A106 PolarHBondContact O-N 3.48Å; V103-A106 PolarHBondContact O-N 2.97Å; A106-D109 PolarHBondContact O-N 3.25Å; A106-G110 PolarHBondContact O-N 2.95Å; A106-Y111 WeakPolarHBondContact O-CB 3.28Å; A106-Y111 PolarHBondContact O-N 2.8Å; A106-Y111 VanDerWaalsContact O-N 3.14Å; A106-C113 HydrophobicContact CB-CB 4.3Å
107	V	98.3	Very high	98.4	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-66.6	-39.2	177.8	175.9	0	0	0	0	111.6	V103 R105 D109 G110 C113 H133 R134	V103-V107 HydrophobicContact CG1-CG2 4.29Å; V103-V107 WeakPolarHBondContact O-CG2 3.25Å; V103-V107 PolarHBondContact O-N 3.1Å; R105-V107 VanDerWaalsContact C-N 3.34Å; R105-V107 PolarHBondContact O-N 3.28Å; V107-D109 VanDerWaalsContact C-N 3.28Å; V107-D109 PolarHBondContact O-N 2.87Å; V107-G110 PolarHBondContact O-N 3.14Å; V107-G110 VanDerWaalsContact O-N 3.1Å; V107-C113 HydrophobicContact CG2-CB 4.15Å; V107-H133 HydrophobicContact CG1-CB 3.91Å; V107-R134 HydrophobicContact CG1-CG 4Å
108	S	98.3	Very high	98.3	Very high	61 Å²	61	29.9 Å²	29.9	43%	0.427	16%	0.161	S	C	.	.	H	α-helix	trans	-65.5	-32.5	176.3	69.2	0	0	0	0	113	S104 R105 G110	S104-S108 WeakPolarHBondContact O-CB 3.41Å; S104-S108 PolarHBondContact O-N 2.86Å; S104-S108 PolarHBondContact O-OG 3.34Å; R105-S108 WeakPolarHBondContact CA-OG 3.44Å; R105-S108 PolarHBondContact O-N 3.19Å; R105-S108 PolarHBondContact O-OG 3.29Å; S108-G110 PolarHBondContact O-N 3.47Å
109	D	97.9	Very high	98.3	Very high	74 Å²	74	27.7 Å²	27.7	40%	0.396	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-0.8	175.9	-70.9	-4.8	0	0	0	112.2	K66 R105 A106 V107 Y111	K66-D109 IonicContact NZ-OD2 3.79Å; K66-D109 PolarHBondContact NZ-OD2 3.12Å; R105-D109 WeakPolarHBondContact O-CB 3.4Å; R105-D109 PolarHBondContact O-N 2.87Å; A106-D109 PolarHBondContact O-N 3.25Å; V107-D109 VanDerWaalsContact C-N 3.28Å; V107-D109 PolarHBondContact O-N 2.87Å; D109-Y111 HydrophobicContact CB-CD2 3.65Å; D109-Y111 HydrophobicContact CB-CE2 3.78Å
110	G	97.2	Very high	98.3	Very high	51 Å²	51	27.6 Å²	27.6	53%	0.526	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	13.5	176.4	0	0	0	0	0	115	A106 V107 S108	A106-G110 PolarHBondContact O-N 2.95Å; V107-G110 PolarHBondContact O-N 3.14Å; V107-G110 VanDerWaalsContact O-N 3.1Å; S108-G110 PolarHBondContact O-N 3.47Å
111	Y	98.4	Very high	98.3	Very high	55 Å²	55	27.6 Å²	27.6	22%	0.216	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-88.8	142.8	176	-64.9	-95.1	0	0	0	111.4	S25 A27 K66 A106 D109	S25-Y111 WeakPolarHBondContact O-CA 3.33Å; A27-Y111 HydrophobicContact CB-CD1 4.24Å; A27-Y111 HydrophobicContact CB-CG 3.99Å; K66-Y111 HydrophobicContact CB-CD1 4.08Å; K66-Y111 HydrophobicContact CB-CE1 3.53Å; K66-Y111 HydrophobicContact CB-CE2 4.43Å; K66-Y111 HydrophobicContact CD-CD2 4.33Å; K66-Y111 HydrophobicContact CD-CE1 4.3Å; K66-Y111 HydrophobicContact CD-CE2 3.68Å; A106-Y111 WeakPolarHBondContact O-CB 3.28Å; A106-Y111 PolarHBondContact O-N 2.8Å; A106-Y111 VanDerWaalsContact O-N 3.14Å; D109-Y111 HydrophobicContact CB-CD2 3.65Å; D109-Y111 HydrophobicContact CB-CE2 3.78Å
112	S	98.6	Very high	98.2	Very high	26 Å²	26	22.7 Å²	22.7	18%	0.182	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	129.1	154.9	-63.5	0	0	0	0	108.2	S25 V26 A27 L289 S290	S25-S112 PolarHBondContact O-N 3.25Å; V26-S112 WeakPolarHBondContact CA-O 3.41Å; A27-S112 PolarHBondContact N-O 3.04Å; S112-L289 PolarHBondContact OG-O 3.05Å; S112-L289 VanDerWaalsContact OG-O 3.05Å; S112-S290 CarbonylContact C-O 3.47Å; S112-S290 VanDerWaalsContact CA-O 3.22Å; S112-S290 WeakPolarHBondContact CA-O 3.35Å
113	C	98.8	Very high	98.3	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.007	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119.8	-172.5	-167.9	0	0	0	0	111.5	V103 A106 V107 S290 A291 L292	V103-C113 HydrophobicContact CG1-CB 4.35Å; A106-C113 HydrophobicContact CB-CB 4.3Å; V107-C113 HydrophobicContact CG2-CB 4.15Å; C113-S290 PolarHBondContact N-O 3.36Å; C113-A291 HydrophobicContact CB-CB 4.41Å; C113-A291 CarbonylContact O-C 3.41Å; C113-A291 WeakPolarHBondContact O-CA 3.48Å; C113-L292 PolarHBondContact O-N 3.43Å
114	V	98.9	Very high	98.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	115.8	170.7	176.7	0	0	0	0	108.6	V26 A27 V28 V29 V116 L292 I319 F323	V26-V114 HydrophobicContact CG1-CB 4.4Å; V26-V114 HydrophobicContact CG1-CG2 3.63Å; A27-V114 PolarHBondContact O-N 2.76Å; V28-V114 CarbonylContact C-O 3.44Å; V28-V114 WeakPolarHBondContact CA-O 3.31Å; V28-V114 HydrophobicContact CG2-CB 4.47Å; V29-V114 PolarHBondContact N-O 2.88Å; V114-V116 HydrophobicContact CG1-CG2 4.12Å; V114-L292 CarbonylContact C-O 3.54Å; V114-L292 WeakPolarHBondContact CA-O 3.43Å; V114-L292 HydrophobicContact CG1-CD2 4.28Å; V114-L292 HydrophobicContact CG2-CB 4.46Å; V114-I319 HydrophobicContact CG1-CD1 4.19Å; V114-I319 HydrophobicContact CG1-CG2 4.09Å; V114-I319 HydrophobicContact CG2-CG2 4.29Å; V114-F323 HydrophobicContact CG2-CD2 4.37Å; V114-F323 HydrophobicContact CG2-CE2 3.26Å; V114-F323 HydrophobicContact CG2-CZ 3.48Å; V114-F323 VanDerWaalsContact CG2-CZ 3.48Å
115	T	98.9	Very high	98.3	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	114.2	170.7	-62.6	0	0	0	0	109	V29 A31 L99 L122 T126 L292 D293 L294	V29-T115 CarbonylContact O-C 3.27Å; V29-T115 WeakPolarHBondContact O-CA 3.45Å; A31-T115 HydrophobicContact CB-CG2 3.84Å; L99-T115 HydrophobicContact CD1-CG2 4.18Å; L99-T115 HydrophobicContact CD2-CG2 4.41Å; T115-L122 HydrophobicContact CG2-CD1 4.04Å; T115-T126 HydrophobicContact CG2-CG2 3.78Å; T115-L292 PolarHBondContact N-O 3.4Å; T115-D293 WeakPolarHBondContact O-CA 3.45Å; T115-L294 PolarHBondContact O-N 2.9Å
116	V	98.9	Very high	98.3	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.006	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	116.2	172.3	-171.5	0	0	0	0	107.2	V28 V29 A31 P46 V49 L54 V114 I319	V28-V116 HydrophobicContact CG1-CG2 4.38Å; V29-V116 PolarHBondContact O-N 2.87Å; A31-V116 PolarHBondContact N-O 2.83Å; P46-V116 HydrophobicContact CB-CG1 4.34Å; P46-V116 WeakPolarHBondContact CG-O 3.24Å; V49-V116 HydrophobicContact CB-CG1 3.82Å; V49-V116 HydrophobicContact CG1-CG1 3.98Å; V49-V116 HydrophobicContact CG1-CG2 4.49Å; V49-V116 HydrophobicContact CG2-CG1 3.97Å; L54-V116 HydrophobicContact CD2-CG2 3.66Å; V114-V116 HydrophobicContact CG1-CG2 4.12Å; V116-I319 HydrophobicContact CG2-CD1 4.23Å
117	G	93.8	Very high	98.3	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.01	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	164.6	-165.2	0	0	0	0	0	115.2	A31 P46 L294	A31-G117 CarbonylContact O-C 3.59Å; P46-G117 VanDerWaalsContact CD-O 3.23Å; P46-G117 WeakPolarHBondContact CD-O 3.33Å; P46-G117 WeakPolarHBondContact CG-O 3.47Å; G117-L294 PolarHBondContact N-O 2.82Å
118	G	96.3	Very high	98.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-89.3	-127.2	133.3	0	0	0	0	0	110	A31 F33 V42 E296	A31-G118 PolarHBondContact O-N 2.81Å; F33-G118 CarbonylContact O-C 3.52Å; F33-G118 VanDerWaalsContact O-CA 3.26Å; F33-G118 WeakPolarHBondContact O-CA 3.32Å; V42-G118 WeakPolarHBondContact O-CA 3.22Å; G118-E296 PolarHBondContact O-N 2.94Å
119	D	98.8	Very high	98.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.069	C	C	.	.	S	Bend	trans	-70.4	158.3	-173	70.5	65.6	0	0	0	115.1	F33 S34 Q35 G36 Q37 V42 S121 L122 H160 E296	F33-D119 PolarHBondContact O-N 3Å; S34-D119 WeakPolarHBondContact CA-OD2 3.39Å; Q35-D119 PolarHBondContact N-OD2 3.06Å; G36-D119 WeakPolarHBondContact CA-OD1 3.37Å; G36-D119 WeakPolarHBondContact CA-OD2 3.42Å; G36-D119 PolarHBondContact N-OD2 2.99Å; Q37-D119 HydrophobicContact CG-CB 3.64Å; V42-D119 HydrophobicContact CG1-CB 4.16Å; D119-S121 PolarHBondContact O-N 3.47Å; D119-S121 WeakPolarHBondContact OD1-CB 3.2Å; D119-S121 PolarHBondContact OD1-N 3.24Å; D119-S121 VanDerWaalsContact OD1-N 3.07Å; D119-S121 PolarHBondContact OD1-OG 3.38Å; D119-L122 WeakPolarHBondContact O-CD2 3.32Å; D119-L122 WeakPolarHBondContact O-CG 3.29Å; D119-L122 PolarHBondContact O-N 3.49Å; D119-H160 HydrophobicContact CB-CB 4.11Å; D119-E296 VanDerWaalsContact CA-OE1 3.25Å; D119-E296 WeakPolarHBondContact CA-OE1 3.32Å; D119-E296 VanDerWaalsContact CB-OE1 3.31Å; D119-E296 WeakPolarHBondContact CB-OE1 3.46Å
120	H	98.9	Very high	98.4	Very high	0 Å²	0	7.2 Å²	7.2	0%	0	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-67.7	-7.4	-171.4	-143.1	155.1	0	0	0	114.6	L122 A123 W141 D143 D147 H160 S249 D251 V295 E296	H120-L122 PolarHBondContact O-N 3.27Å; H120-L122 VanDerWaalsContact O-N 3.12Å; H120-A123 WeakPolarHBondContact O-CB 3.39Å; H120-A123 PolarHBondContact O-N 3.21Å; H120-A123 VanDerWaalsContact O-N 3.15Å; H120-W141 AromaticContact CD2-CH2 3.56Å; H120-W141 AromaticContact CD2-CZ2 3.51Å; H120-W141 AromaticContact CE1-CE2 3.37Å; H120-W141 AromaticContact CE1-CH2 3.88Å; H120-W141 AromaticContact CE1-CZ2 3.15Å; H120-W141 WeakPolarHBondContact CE1-CZ2 3.5Å; H120-W141 AromaticContact CE1-NE1 3.55Å; H120-W141 AromaticContact CG-CZ2 3.77Å; H120-W141 AromaticContact ND1-CZ2 3.55Å; H120-W141 AromaticContact NE2-CE2 3.63Å; H120-W141 AromaticContact NE2-CH2 3.35Å; H120-W141 VanDerWaalsContact NE2-CH2 3.35Å; H120-W141 WeakPolarHBondContact NE2-CH2 3.4Å; H120-W141 AromaticContact NE2-CZ2 3.13Å; H120-W141 WeakPolarHBondContact NE2-CZ2 3.48Å; H120-D143 IonicContact CE1-OD2 2.85Å; H120-D143 PolarHBondContact CE1-OD2 2.97Å; H120-D143 IonicContact ND1-OD2 3.09Å; H120-D143 PolarHBondContact ND1-OD2 2.88Å; H120-D143 VanDerWaalsContact ND1-OD2 3.12Å; H120-D147 IonicContact CE1-OD2 2.76Å; H120-D147 IonicContact CG-OD2 3.33Å; H120-D147 IonicContact ND1-OD2 3.45Å; H120-D147 PolarHBondContact ND1-OD2 3.06Å; H120-D147 VanDerWaalsContact ND1-OD2 3.09Å; H120-H160 HydrophobicContact CB-CB 4.37Å; H120-S249 PolarHBondContact NE2-OG 2.67Å; H120-D251 IonicContact CE1-OD2 3.26Å; H120-D251 IonicContact CG-OD2 3.51Å; H120-D251 IonicContact ND1-OD2 2.8Å; H120-D251 PolarHBondContact ND1-OD2 3.15Å; H120-D251 VanDerWaalsContact ND1-OD2 3.12Å; H120-V295 HydrophobicContact CB-CG2 4.06Å; H120-E296 HydrophobicContact CB-CG 4.32Å; H120-E296 PolarHBondContact N-OE1 3.42Å
121	S	98.9	Very high	98.5	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.029	C	C	.	.	G	3₁₀ helix	trans	-62.9	-21.1	174	75	0	0	0	0	112.7	N96 D119 A123 I124	N96-S121 PolarHBondContact ND2-O 3.34Å; N96-S121 VanDerWaalsContact ND2-O 3.15Å; N96-S121 PolarHBondContact OD1-O 2.69Å; N96-S121 VanDerWaalsContact OD1-O 3.07Å; D119-S121 PolarHBondContact O-N 3.47Å; D119-S121 WeakPolarHBondContact OD1-CB 3.2Å; D119-S121 PolarHBondContact OD1-N 3.24Å; D119-S121 VanDerWaalsContact OD1-N 3.07Å; D119-S121 PolarHBondContact OD1-OG 3.38Å; S121-A123 PolarHBondContact O-N 2.82Å; S121-I124 WeakPolarHBondContact O-CB 3.18Å; S121-I124 WeakPolarHBondContact O-CD1 3.31Å; S121-I124 WeakPolarHBondContact O-CG1 3.42Å; S121-I124 PolarHBondContact O-N 3.38Å
122	L	98.8	Very high	98.5	Very high	4 Å²	4	8.3 Å²	8.3	2%	0.021	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-61.4	-20.3	176.8	68.1	86.6	0	0	0	113.8	A31 N96 L99 T115 D119 H120 I124 G125 T126 D293 V295	A31-L122 HydrophobicContact CB-CD2 4.27Å; N96-L122 VanDerWaalsContact OD1-C 3.25Å; N96-L122 WeakPolarHBondContact OD1-CA 3.34Å; N96-L122 PolarHBondContact OD1-O 3.05Å; L99-L122 HydrophobicContact CD2-CB 3.78Å; L99-L122 HydrophobicContact CD2-CD1 4.46Å; T115-L122 HydrophobicContact CG2-CD1 4.04Å; D119-L122 WeakPolarHBondContact O-CD2 3.32Å; D119-L122 WeakPolarHBondContact O-CG 3.29Å; D119-L122 PolarHBondContact O-N 3.49Å; H120-L122 PolarHBondContact O-N 3.27Å; H120-L122 VanDerWaalsContact O-N 3.12Å; L122-I124 PolarHBondContact O-N 3.02Å; L122-G125 PolarHBondContact O-N 3.45Å; L122-T126 HydrophobicContact CD1-CG2 3.75Å; L122-T126 PolarHBondContact O-N 2.92Å; L122-T126 VanDerWaalsContact O-N 3.07Å; L122-D293 HydrophobicContact CD1-CB 4.36Å; L122-V295 HydrophobicContact CD1-CG1 3.79Å; L122-V295 HydrophobicContact CD2-CG1 3.88Å; L122-V295 HydrophobicContact CG-CG1 4.01Å
123	A	98.9	Very high	98.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-60.5	-25.5	177	0	0	0	0	0	112.4	H120 S121 G125 T126 I127 W141 P163	H120-A123 WeakPolarHBondContact O-CB 3.39Å; H120-A123 PolarHBondContact O-N 3.21Å; H120-A123 VanDerWaalsContact O-N 3.15Å; S121-A123 PolarHBondContact O-N 2.82Å; A123-G125 VanDerWaalsContact C-N 3.28Å; A123-G125 PolarHBondContact O-N 3.26Å; A123-T126 VanDerWaalsContact CA-OG1 3.31Å; A123-T126 WeakPolarHBondContact CA-OG1 3.32Å; A123-T126 PolarHBondContact O-OG1 3.28Å; A123-I127 HydrophobicContact CB-CD1 4.27Å; A123-I127 VanDerWaalsContact O-CB 3.27Å; A123-I127 WeakPolarHBondContact O-CB 3.11Å; A123-I127 WeakPolarHBondContact O-CG1 3.29Å; A123-I127 PolarHBondContact O-N 2.95Å; A123-I127 VanDerWaalsContact O-N 3.08Å; A123-W141 HydrophobicContact CB-CH2 3.54Å; A123-W141 HydrophobicContact CB-CZ3 3.78Å; A123-P163 HydrophobicContact CB-CB 4.18Å
124	I	98.9	Very high	98.5	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-57.6	-45.4	172.1	-65.3	155.5	0	0	0	109.9	N96 S121 L122 S128 I159 P163 F166 F181 W183 V184	N96-I124 HydrophobicContact CB-CB 4.27Å; N96-I124 HydrophobicContact CB-CG2 4.2Å; S121-I124 WeakPolarHBondContact O-CB 3.18Å; S121-I124 WeakPolarHBondContact O-CD1 3.31Å; S121-I124 WeakPolarHBondContact O-CG1 3.42Å; S121-I124 PolarHBondContact O-N 3.38Å; L122-I124 PolarHBondContact O-N 3.02Å; I124-S128 WeakPolarHBondContact O-CB 3.48Å; I124-S128 PolarHBondContact O-N 2.76Å; I124-S128 PolarHBondContact O-OG 3.25Å; I124-I159 HydrophobicContact CD1-CG2 4.01Å; I124-P163 HydrophobicContact CD1-CB 4.17Å; I124-P163 HydrophobicContact CG1-CB 3.73Å; I124-F166 HydrophobicContact CD1-CD2 3.87Å; I124-F166 HydrophobicContact CD1-CE2 4.32Å; I124-F166 HydrophobicContact CG1-CD2 4.3Å; I124-F181 HydrophobicContact CD1-CE1 3.73Å; I124-F181 HydrophobicContact CD1-CZ 4.23Å; I124-W183 HydrophobicContact CG2-CH2 4.19Å; I124-W183 HydrophobicContact CG2-CZ2 4.23Å; I124-V184 HydrophobicContact CG2-CG2 3.97Å
125	G	98.9	Very high	98.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-74.6	-50.1	-178.6	0	0	0	0	0	112.6	N96 A100 L122 A123 S128 G129	N96-G125 VanDerWaalsContact O-CA 3.27Å; N96-G125 WeakPolarHBondContact O-CA 3.44Å; N96-G125 WeakPolarHBondContact OD1-CA 3.47Å; N96-G125 PolarHBondContact OD1-N 2.85Å; A100-G125 VanDerWaalsContact CA-O 3.24Å; A100-G125 WeakPolarHBondContact CA-O 3.2Å; A100-G125 VanDerWaalsContact CB-O 3.28Å; A100-G125 WeakPolarHBondContact CB-O 3.33Å; L122-G125 PolarHBondContact O-N 3.45Å; A123-G125 VanDerWaalsContact C-N 3.28Å; A123-G125 PolarHBondContact O-N 3.26Å; G125-S128 PolarHBondContact O-N 3.17Å; G125-G129 PolarHBondContact O-N 3.15Å
126	T	98.9	Very high	98.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-62.9	-48.1	-176.4	60.7	0	0	0	0	111.6	L99 V103 T115 L122 A123 G129 H130 D293	L99-T126 HydrophobicContact CD1-CG2 4.47Å; L99-T126 HydrophobicContact CD2-CG2 3.67Å; L99-T126 HydrophobicContact CG-CG2 4.07Å; V103-T126 WeakPolarHBondContact CG1-O 3.47Å; V103-T126 HydrophobicContact CG2-CG2 4.25Å; T115-T126 HydrophobicContact CG2-CG2 3.78Å; L122-T126 HydrophobicContact CD1-CG2 3.75Å; L122-T126 PolarHBondContact O-N 2.92Å; L122-T126 VanDerWaalsContact O-N 3.07Å; A123-T126 VanDerWaalsContact CA-OG1 3.31Å; A123-T126 WeakPolarHBondContact CA-OG1 3.32Å; A123-T126 PolarHBondContact O-OG1 3.28Å; T126-G129 PolarHBondContact O-N 3.13Å; T126-H130 WeakPolarHBondContact O-CB 3.34Å; T126-H130 PolarHBondContact O-N 3.02Å; T126-D293 VanDerWaalsContact CB-OD1 3.29Å; T126-D293 WeakPolarHBondContact CB-OD1 3.15Å; T126-D293 WeakPolarHBondContact CB-OD2 3.45Å; T126-D293 VanDerWaalsContact CG2-OD1 3.31Å; T126-D293 WeakPolarHBondContact CG2-OD1 3.35Å; T126-D293 PolarHBondContact OG1-OD1 2.83Å; T126-D293 PolarHBondContact OG1-OD2 3.45Å
127	I	98.9	Very high	98.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-68.2	-44.2	179.2	-62.2	172	0	0	0	110.2	A123 G129 H130 A131 L137 V139 W141 L164 L167 L188 H247	A123-I127 HydrophobicContact CB-CD1 4.27Å; A123-I127 VanDerWaalsContact O-CB 3.27Å; A123-I127 WeakPolarHBondContact O-CB 3.11Å; A123-I127 WeakPolarHBondContact O-CG1 3.29Å; A123-I127 PolarHBondContact O-N 2.95Å; A123-I127 VanDerWaalsContact O-N 3.08Å; I127-G129 VanDerWaalsContact C-N 3.33Å; I127-G129 PolarHBondContact O-N 3.1Å; I127-H130 PolarHBondContact O-N 3.35Å; I127-A131 VanDerWaalsContact O-CB 3.28Å; I127-A131 WeakPolarHBondContact O-CB 3.39Å; I127-A131 PolarHBondContact O-N 3.07Å; I127-L137 HydrophobicContact CG2-CD1 4.49Å; I127-V139 HydrophobicContact CD1-CG2 4.26Å; I127-W141 HydrophobicContact CD1-CZ3 3.99Å; I127-L164 HydrophobicContact CD1-CD2 4.41Å; I127-L167 HydrophobicContact CB-CD1 3.81Å; I127-L167 HydrophobicContact CD1-CD1 3.67Å; I127-L167 HydrophobicContact CG1-CD1 4.27Å; I127-L167 HydrophobicContact CG2-CD1 4.01Å; I127-L188 HydrophobicContact CG2-CD1 4.11Å; I127-L188 HydrophobicContact CG2-CD2 4.08Å; I127-L188 HydrophobicContact CG2-CG 4.18Å; I127-H247 WeakPolarHBondContact CG1-NE2 3.3Å
128	S	98.9	Very high	98.6	Very high	11 Å²	11	23 Å²	23	8%	0.077	11%	0.111	C	C	.	.	H	α-helix	trans	-60.6	-42.5	177.1	-67.6	0	0	0	0	112	I124 G125 R132 L167	I124-S128 WeakPolarHBondContact O-CB 3.48Å; I124-S128 PolarHBondContact O-N 2.76Å; I124-S128 PolarHBondContact O-OG 3.25Å; G125-S128 PolarHBondContact O-N 3.17Å; S128-R132 WeakPolarHBondContact O-CG 3.28Å; S128-R132 PolarHBondContact O-N 2.96Å; S128-L167 WeakPolarHBondContact OG-CD2 3.31Å
129	G	98.9	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-44.9	176.9	0	0	0	0	0	112.2	A100 S104 G125 T126 I127 A131 R132	A100-G129 WeakPolarHBondContact O-CA 3.26Å; S104-G129 WeakPolarHBondContact CA-O 3.37Å; G125-G129 PolarHBondContact O-N 3.15Å; T126-G129 PolarHBondContact O-N 3.13Å; I127-G129 VanDerWaalsContact C-N 3.33Å; I127-G129 PolarHBondContact O-N 3.1Å; G129-A131 PolarHBondContact O-N 2.88Å; G129-R132 WeakPolarHBondContact O-CB 3.37Å; G129-R132 PolarHBondContact O-N 3.04Å
130	H	98.9	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.2	-44.6	177.2	-174.5	-164.1	0	0	0	111.6	V103 T126 I127 R132 H133 R134 L137 H247 S290	V103-H130 HydrophobicContact CG1-CB 4.27Å; T126-H130 WeakPolarHBondContact O-CB 3.34Å; T126-H130 PolarHBondContact O-N 3.02Å; I127-H130 PolarHBondContact O-N 3.35Å; H130-R132 PolarHBondContact O-N 3.29Å; H130-H133 PolarHBondContact O-N 2.88Å; H130-R134 PolarHBondContact O-N 2.9Å; H130-L137 HydrophobicContact CB-CD2 3.98Å; H130-L137 WeakPolarHBondContact ND1-CD2 3.29Å; H130-H247 AromaticContact ND1-CG 3.76Å; H130-H247 AromaticContact ND1-ND1 3.25Å; H130-H247 PolarHBondContact ND1-ND1 3.2Å; H130-S290 VanDerWaalsContact NE2-CB 3.32Å; H130-S290 WeakPolarHBondContact NE2-CB 3.47Å; H130-S290 PolarHBondContact NE2-OG 3.08Å
131	A	98.8	Very high	98.7	Very high	10 Å²	10	23 Å²	23	8%	0.083	11%	0.111	C	C	.	.	H	α-helix	trans	-63.6	-21.6	-179.8	0	0	0	0	0	114	I127 G129 H133 R134 P135 L137 C187	I127-A131 VanDerWaalsContact O-CB 3.28Å; I127-A131 WeakPolarHBondContact O-CB 3.39Å; I127-A131 PolarHBondContact O-N 3.07Å; G129-A131 PolarHBondContact O-N 2.88Å; A131-H133 PolarHBondContact O-N 3.46Å; A131-R134 CarbonylContact O-C 3.59Å; A131-P135 VanDerWaalsContact O-CA 3.31Å; A131-P135 WeakPolarHBondContact O-CA 3.22Å; A131-L137 HydrophobicContact CB-CD2 3.91Å; A131-C187 HydrophobicContact CB-CB 3.57Å
132	R	98.7	Very high	98.7	Very high	119 Å²	119	23 Å²	23	45%	0.449	11%	0.111	S	C	.	.	H	α-helix	trans	-61.7	-32.9	176.5	-69.2	177.6	-167.7	-179.6	5.1	112.5	S104 S128 G129 H130	S104-R132 WeakPolarHBondContact OG-CD 3.35Å; S128-R132 WeakPolarHBondContact O-CG 3.28Å; S128-R132 PolarHBondContact O-N 2.96Å; G129-R132 WeakPolarHBondContact O-CB 3.37Å; G129-R132 PolarHBondContact O-N 3.04Å; H130-R132 PolarHBondContact O-N 3.29Å
133	H	98.4	Very high	98.7	Very high	88 Å²	88	22.8 Å²	22.8	41%	0.407	11%	0.11	S	C	.	.	H	α-helix	trans	-110.1	-17.9	178.7	-65.1	-68.5	0	0	0	113.3	S104 V107 H130 A131	S104-H133 PolarHBondContact O-CD2 3.44Å; S104-H133 PolarHBondContact O-NE2 3.06Å; S104-H133 PolarHBondContact OG-CD2 3.16Å; S104-H133 PolarHBondContact OG-NE2 2.9Å; V107-H133 HydrophobicContact CG1-CB 3.91Å; H130-H133 PolarHBondContact O-N 2.88Å; A131-H133 PolarHBondContact O-N 3.46Å
134	R	98.1	Very high	98.7	Very high	98 Å²	98	22.8 Å²	22.8	37%	0.37	11%	0.11	S	C	.	.			trans	-129.8	65.4	-179.8	-59	-58	179.2	105.1	5.2	110.7	V107 H130 A131 D136 L137 P245	V107-R134 HydrophobicContact CG1-CG 4Å; H130-R134 PolarHBondContact O-N 2.9Å; A131-R134 CarbonylContact O-C 3.59Å; R134-D136 PolarHBondContact O-N 3.25Å; R134-D136 VanDerWaalsContact O-N 3.1Å; R134-L137 HydrophobicContact CB-CB 4.41Å; R134-L137 WeakPolarHBondContact O-CB 3.46Å; R134-L137 WeakPolarHBondContact O-CD2 3.36Å; R134-L137 WeakPolarHBondContact O-CG 3.41Å; R134-L137 PolarHBondContact O-N 2.99Å; R134-L137 VanDerWaalsContact O-N 3.11Å; R134-P245 HydrophobicContact CB-CB 4.12Å; R134-P245 HydrophobicContact CB-CG 3.94Å; R134-P245 HydrophobicContact CG-CB 4.23Å; R134-P245 HydrophobicContact CG-CG 4.07Å
135	P	97.8	Very high	98.7	Very high	89 Å²	89	23.7 Å²	23.7	58%	0.578	11%	0.114	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-12.3	-171.5	29	-37.4	0	0	0	114.2	A131	A131-P135 VanDerWaalsContact O-CA 3.31Å; A131-P135 WeakPolarHBondContact O-CA 3.22Å
136	D	97.5	Very high	98.7	Very high	57 Å²	57	23.7 Å²	23.7	31%	0.305	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	8.6	178.2	71.4	-41.6	0	0	0	113.6	R134 K244	R134-D136 PolarHBondContact O-N 3.25Å; R134-D136 VanDerWaalsContact O-N 3.1Å; D136-K244 WeakPolarHBondContact O-CD 3.43Å
137	L	98.6	Very high	98.7	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.031	12%	0.116	C	C	.	.			trans	-54.3	153.7	178.8	72.7	83.8	0	0	0	112.3	I127 H130 A131 R134 V139 L188 P245 H247	I127-L137 HydrophobicContact CG2-CD1 4.49Å; H130-L137 HydrophobicContact CB-CD2 3.98Å; H130-L137 WeakPolarHBondContact ND1-CD2 3.29Å; A131-L137 HydrophobicContact CB-CD2 3.91Å; R134-L137 HydrophobicContact CB-CB 4.41Å; R134-L137 WeakPolarHBondContact O-CB 3.46Å; R134-L137 WeakPolarHBondContact O-CD2 3.36Å; R134-L137 WeakPolarHBondContact O-CG 3.41Å; R134-L137 PolarHBondContact O-N 2.99Å; R134-L137 VanDerWaalsContact O-N 3.11Å; L137-V139 HydrophobicContact CD1-CG2 3.73Å; L137-L188 HydrophobicContact CD1-CD2 3.59Å; L137-P245 CarbonylContact C-O 3.49Å; L137-P245 WeakPolarHBondContact CA-O 3.48Å; L137-P245 HydrophobicContact CB-CB 4.22Å; L137-P245 WeakPolarHBondContact CB-O 3.47Å; L137-H247 HydrophobicContact CD1-CB 4.2Å
138	C	98.9	Very high	98.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	153.5	166.6	55	0	0	0	0	110.8	S192 L238 K244 P245 H247	C138-S192 CarbonylContact C-O 3.39Å; C138-S192 VanDerWaalsContact CA-O 3.32Å; C138-S192 WeakPolarHBondContact CA-O 3.3Å; C138-S192 WeakPolarHBondContact CB-O 3.42Å; C138-L238 HydrophobicContact CB-CB 4.13Å; C138-L238 HydrophobicContact CB-CD1 4.16Å; C138-L238 HydrophobicContact CB-CD2 3.87Å; C138-L238 HydrophobicContact CB-CG 4.27Å; C138-K244 HydrophobicContact CB-CD 4.33Å; C138-P245 PolarHBondContact N-O 3.44Å; C138-H247 PolarHBondContact O-N 3.02Å
139	V	98.9	Very high	98.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.4	-177.4	179.8	0	0	0	0	109.8	I127 L137 W141 L188 S192 I193 V194 H247	I127-V139 HydrophobicContact CD1-CG2 4.26Å; L137-V139 HydrophobicContact CD1-CG2 3.73Å; V139-W141 HydrophobicContact CG1-CB 4.39Å; V139-W141 HydrophobicContact CG1-CE3 4.04Å; V139-L188 HydrophobicContact CG2-CD1 3.78Å; V139-L188 HydrophobicContact CG2-CD2 3.7Å; V139-L188 HydrophobicContact CG2-CG 4.42Å; V139-S192 PolarHBondContact N-O 2.9Å; V139-I193 HydrophobicContact CB-CG1 4.34Å; V139-I193 HydrophobicContact CB-CG2 4.47Å; V139-I193 WeakPolarHBondContact O-CA 3.5Å; V139-V194 PolarHBondContact O-N 2.97Å; V139-H247 WeakPolarHBondContact CA-O 3.27Å; V139-H247 HydrophobicContact CG2-CB 4.34Å
140	I	98.9	Very high	98.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	118.4	161.4	-60.5	174.8	0	0	0	105.7	V142 V194 I196 T234 F235 L238 I246 H247 L248 S249 I283	I140-V142 HydrophobicContact CG2-CG2 3.96Å; I140-V194 WeakPolarHBondContact CA-O 3.07Å; I140-I196 HydrophobicContact CG2-CD1 3.93Å; I140-I196 HydrophobicContact CG2-CG1 4.49Å; I140-T234 HydrophobicContact CD1-CG2 3.89Å; I140-T234 HydrophobicContact CG1-CG2 4.02Å; I140-F235 HydrophobicContact CD1-CE1 4.01Å; I140-L238 HydrophobicContact CD1-CD1 4.21Å; I140-L238 HydrophobicContact CG1-CD1 3.53Å; I140-I246 HydrophobicContact CD1-CG2 4.07Å; I140-I246 HydrophobicContact CG1-CG2 4.37Å; I140-H247 PolarHBondContact N-O 3.41Å; I140-L248 HydrophobicContact CB-CD1 4.22Å; I140-L248 HydrophobicContact CG2-CD1 4.13Å; I140-S249 PolarHBondContact O-N 3.44Å; I140-I283 HydrophobicContact CD1-CD1 3.94Å; I140-I283 HydrophobicContact CD1-CG1 4Å; I140-I283 HydrophobicContact CG2-CD1 4.44Å
141	W	98.9	Very high	98.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	107.2	-178.1	-164.8	-77.7	0	0	0	108.9	H120 A123 I127 V139 D143 D147 P163 L164 V194 Y195 I196 S249	H120-W141 AromaticContact CD2-CH2 3.56Å; H120-W141 AromaticContact CD2-CZ2 3.51Å; H120-W141 AromaticContact CE1-CE2 3.37Å; H120-W141 AromaticContact CE1-CH2 3.88Å; H120-W141 AromaticContact CE1-CZ2 3.15Å; H120-W141 WeakPolarHBondContact CE1-CZ2 3.5Å; H120-W141 AromaticContact CE1-NE1 3.55Å; H120-W141 AromaticContact CG-CZ2 3.77Å; H120-W141 AromaticContact ND1-CZ2 3.55Å; H120-W141 AromaticContact NE2-CE2 3.63Å; H120-W141 AromaticContact NE2-CH2 3.35Å; H120-W141 VanDerWaalsContact NE2-CH2 3.35Å; H120-W141 WeakPolarHBondContact NE2-CH2 3.4Å; H120-W141 AromaticContact NE2-CZ2 3.13Å; H120-W141 WeakPolarHBondContact NE2-CZ2 3.48Å; A123-W141 HydrophobicContact CB-CH2 3.54Å; A123-W141 HydrophobicContact CB-CZ3 3.78Å; I127-W141 HydrophobicContact CD1-CZ3 3.99Å; V139-W141 HydrophobicContact CG1-CB 4.39Å; V139-W141 HydrophobicContact CG1-CE3 4.04Å; W141-D143 PolarHBondContact NE1-OD2 3.12Å; W141-D147 HydrophobicContact CZ2-CB 3.59Å; W141-P163 HydrophobicContact CH2-CB 4.29Å; W141-P163 HydrophobicContact CH2-CG 3.64Å; W141-P163 HydrophobicContact CZ2-CG 3.95Å; W141-L164 HydrophobicContact CD2-CD1 3.64Å; W141-L164 HydrophobicContact CD2-CG 4.32Å; W141-L164 HydrophobicContact CE3-CD1 3.58Å; W141-L164 HydrophobicContact CE3-CD2 3.86Å; W141-L164 HydrophobicContact CE3-CG 3.86Å; W141-L164 HydrophobicContact CG-CD1 4.17Å; W141-L164 HydrophobicContact CH2-CD1 4.24Å; W141-L164 HydrophobicContact CH2-CD2 4.41Å; W141-L164 HydrophobicContact CH2-CG 3.93Å; W141-L164 HydrophobicContact CZ2-CD1 4.29Å; W141-L164 HydrophobicContact CZ2-CG 4.37Å; W141-L164 HydrophobicContact CZ3-CD1 3.9Å; W141-L164 HydrophobicContact CZ3-CD2 3.69Å; W141-L164 HydrophobicContact CZ3-CG 3.65Å; W141-V194 PolarHBondContact N-O 2.76Å; W141-Y195 HydrophobicContact CB-CD1 3.61Å; W141-Y195 HydrophobicContact CB-CE1 3.91Å; W141-Y195 HydrophobicContact CB-CG 4.32Å; W141-Y195 AromaticContact CD1-CD1 3.5Å; W141-Y195 VanDerWaalsContact CD1-CD1 3.5Å; W141-Y195 AromaticContact CD1-CE1 3.56Å; W141-Y195 HydrophobicContact CD2-CE1 4.35Å; W141-Y195 AromaticContact CG-CD1 3.7Å; W141-Y195 HydrophobicContact CG-CD1 3.7Å; W141-Y195 AromaticContact CG-CE1 3.66Å; W141-Y195 HydrophobicContact CG-CE1 3.66Å; W141-Y195 CarbonylContact O-C 3.54Å; W141-Y195 VanDerWaalsContact O-CA 3.28Å; W141-Y195 WeakPolarHBondContact O-CA 3.36Å; W141-I196 PolarHBondContact O-N 3.21Å; W141-S249 WeakPolarHBondContact CA-O 3.43Å; W141-S249 VanDerWaalsContact CE3-CB 3.45Å
142	V	98.9	Very high	98.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	107.7	-177.1	-173.9	0	0	0	0	108.4	I140 I196 L248 S249 F250 D251 A254 L271 I279	I140-V142 HydrophobicContact CG2-CG2 3.96Å; V142-I196 WeakPolarHBondContact CA-O 3.45Å; V142-I196 HydrophobicContact CG2-CB 4.48Å; V142-L248 HydrophobicContact CG2-CD1 3.71Å; V142-S249 PolarHBondContact N-O 3.04Å; V142-F250 HydrophobicContact CB-CD2 3.78Å; V142-F250 HydrophobicContact CB-CE2 3.95Å; V142-F250 HydrophobicContact CB-CG 4.09Å; V142-F250 HydrophobicContact CB-CZ 4.37Å; V142-F250 HydrophobicContact CG1-CD2 3.97Å; V142-F250 HydrophobicContact CG1-CE1 4.15Å; V142-F250 HydrophobicContact CG1-CE2 3.59Å; V142-F250 HydrophobicContact CG1-CG 4.41Å; V142-F250 HydrophobicContact CG1-CZ 3.67Å; V142-F250 HydrophobicContact CG2-CD2 4.06Å; V142-F250 HydrophobicContact CG2-CE2 4.26Å; V142-D251 PolarHBondContact O-N 3.39Å; V142-A254 HydrophobicContact CG1-CB 3.76Å; V142-L271 HydrophobicContact CG1-CD1 3.71Å; V142-I279 HydrophobicContact CG1-CD1 4.22Å; V142-I279 HydrophobicContact CG2-CG2 4.17Å
143	D	98.9	Very high	98.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-164	154	-163.8	-158.2	-41	0	0	0	111.2	H120 W141 H145 I196 G197 L198 D251	H120-D143 IonicContact CE1-OD2 2.85Å; H120-D143 PolarHBondContact CE1-OD2 2.97Å; H120-D143 IonicContact ND1-OD2 3.09Å; H120-D143 PolarHBondContact ND1-OD2 2.88Å; H120-D143 VanDerWaalsContact ND1-OD2 3.12Å; W141-D143 PolarHBondContact NE1-OD2 3.12Å; D143-H145 VanDerWaalsContact C-N 3.32Å; D143-H145 WeakPolarHBondContact CB-O 3.33Å; D143-H145 IonicContact OD1-CG 2.73Å; D143-H145 PolarHBondContact OD1-N 2.79Å; D143-H145 IonicContact OD1-ND1 3.52Å; D143-H145 PolarHBondContact OD1-ND1 3.35Å; D143-I196 PolarHBondContact N-O 3.07Å; D143-G197 CarbonylContact O-C 3.59Å; D143-G197 WeakPolarHBondContact O-CA 3.49Å; D143-L198 PolarHBondContact O-N 3.16Å; D143-D251 HydrophobicContact CB-CB 4.08Å; D143-D251 WeakPolarHBondContact OD2-CB 3.47Å
144	A	98.9	Very high	98.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-73.4	-26.9	166.4	0	0	0	0	0	112.7	L198 R199 D200 D253 V267	A144-L198 WeakPolarHBondContact O-CA 3.5Å; A144-R199 HydrophobicContact CB-CG 4.05Å; A144-R199 PolarHBondContact O-N 2.97Å; A144-D200 PolarHBondContact O-N 3.02Å; A144-D253 WeakPolarHBondContact CB-OD1 3.36Å; A144-D253 PolarHBondContact N-OD1 2.72Å; A144-V267 HydrophobicContact CB-CB 4.26Å; A144-V267 HydrophobicContact CB-CG2 4.26Å
145	H	98.9	Very high	98.6	Very high	20 Å²	20	22.8 Å²	22.8	9%	0.093	13%	0.132	C	C	.	.	S	Bend	trans	-112.4	160.7	-172.3	-47.2	92.4	0	0	0	111.8	D143 D147 L198 D200 D253 T265	D143-H145 VanDerWaalsContact C-N 3.32Å; D143-H145 WeakPolarHBondContact CB-O 3.33Å; D143-H145 IonicContact OD1-CG 2.73Å; D143-H145 PolarHBondContact OD1-N 2.79Å; D143-H145 IonicContact OD1-ND1 3.52Å; D143-H145 PolarHBondContact OD1-ND1 3.35Å; H145-D147 WeakPolarHBondContact CB-OD1 3.36Å; H145-L198 VanDerWaalsContact C-CD2 3.47Å; H145-L198 WeakPolarHBondContact O-CD2 3.45Å; H145-D200 WeakPolarHBondContact CA-O 3.41Å; H145-D200 IonicContact NE2-OD2 2.81Å; H145-D253 IonicContact CE1-OD1 3.95Å; H145-D253 IonicContact CE1-OD2 3.45Å; H145-D253 PolarHBondContact CE1-OD2 3.2Å; H145-D253 IonicContact ND1-OD1 3.58Å; H145-D253 IonicContact ND1-OD2 3.78Å; H145-D253 PolarHBondContact ND1-OD2 3.07Å; H145-T265 PolarHBondContact CE1-O 2.91Å; H145-T265 PolarHBondContact CE1-OG1 3.48Å
146	A	98.8	Very high	98.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.119	C	C	.	.			trans	-90.2	-19.9	-179.9	0	0	0	0	0	113.2	I148 Y195 L198 V201 E205 L209	A146-I148 HydrophobicContact CB-CG2 3.89Å; A146-I148 WeakPolarHBondContact O-CB 3.41Å; A146-I148 PolarHBondContact O-N 3.3Å; A146-Y195 HydrophobicContact CB-CE1 4.46Å; A146-Y195 WeakPolarHBondContact O-CE1 3.21Å; A146-Y195 VanDerWaalsContact O-CZ 3.26Å; A146-Y195 PolarHBondContact O-OH 2.88Å; A146-L198 HydrophobicContact CB-CD2 4.44Å; A146-V201 HydrophobicContact CB-CG1 4.14Å; A146-V201 HydrophobicContact CB-CG2 4.5Å; A146-E205 HydrophobicContact CB-CB 4.14Å; A146-L209 HydrophobicContact CB-CD1 4.25Å
147	D	98.8	Very high	98.6	Very high	10 Å²	10	18 Å²	18	5%	0.053	11%	0.105	C	C	.	.			trans	50.3	36.4	175.4	-76	5.9	0	0	0	114	H120 W141 H145 G161 Q162 P163 L164 E205	H120-D147 IonicContact CE1-OD2 2.76Å; H120-D147 IonicContact CG-OD2 3.33Å; H120-D147 IonicContact ND1-OD2 3.45Å; H120-D147 PolarHBondContact ND1-OD2 3.06Å; H120-D147 VanDerWaalsContact ND1-OD2 3.09Å; W141-D147 HydrophobicContact CZ2-CB 3.59Å; H145-D147 WeakPolarHBondContact CB-OD1 3.36Å; D147-G161 CarbonylContact C-O 3.54Å; D147-G161 WeakPolarHBondContact CA-O 3.46Å; D147-G161 WeakPolarHBondContact OD1-CA 3.33Å; D147-Q162 CarbonylContact O-C 3.55Å; D147-Q162 VanDerWaalsContact O-C 3.32Å; D147-P163 HydrophobicContact CB-CG 3.91Å; D147-P163 VanDerWaalsContact O-CD 3.28Å; D147-P163 WeakPolarHBondContact O-CD 3.47Å; D147-L164 PolarHBondContact O-N 3.43Å; D147-E205 PolarHBondContact N-OE1 3.2Å
148	I	98.9	Very high	98.6	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.108	C	C	.	.			trans	-127.9	10.5	-170.8	-156.4	165.8	0	0	0	112.5	A146 T150 G161 L164 V168 L171 E205 I208 I214	A146-I148 HydrophobicContact CB-CG2 3.89Å; A146-I148 WeakPolarHBondContact O-CB 3.41Å; A146-I148 PolarHBondContact O-N 3.3Å; I148-T150 PolarHBondContact O-N 3.32Å; I148-G161 PolarHBondContact N-O 3.22Å; I148-L164 HydrophobicContact CB-CB 4.26Å; I148-L164 HydrophobicContact CD1-CB 4.26Å; I148-L164 HydrophobicContact CG1-CB 4Å; I148-V168 HydrophobicContact CD1-CG2 4.48Å; I148-L171 HydrophobicContact CD1-CD1 4.02Å; I148-L171 HydrophobicContact CG1-CD1 3.86Å; I148-E205 HydrophobicContact CG2-CB 3.84Å; I148-E205 HydrophobicContact CG2-CG 3.85Å; I148-E205 PolarHBondContact N-OE1 2.86Å; I148-I208 HydrophobicContact CD1-CG2 3.7Å; I148-I208 HydrophobicContact CG1-CG2 3.99Å; I148-I208 HydrophobicContact CG2-CB 4.49Å; I148-I208 HydrophobicContact CG2-CG2 4.19Å; I148-I208 WeakPolarHBondContact O-CD1 3.04Å; I148-I214 HydrophobicContact CD1-CD1 3.53Å
149	N	98.9	Very high	98.6	Very high	5 Å²	5	18.7 Å²	18.7	3%	0.027	11%	0.108	C	C	.	.			trans	-54.9	138.9	165.6	-88.9	-67.3	0	0	0	110.1	T153 G161 Q162 S165 D202 E205	N149-T153 WeakPolarHBondContact CA-OG1 3.4Å; N149-T153 WeakPolarHBondContact OD1-CB 3.39Å; N149-T153 PolarHBondContact OD1-O 3.47Å; N149-T153 PolarHBondContact OD1-OG1 3.41Å; N149-G161 WeakPolarHBondContact CB-O 3.45Å; N149-G161 PolarHBondContact N-O 3.04Å; N149-Q162 HydrophobicContact CB-CG 4.08Å; N149-Q162 WeakPolarHBondContact O-CA 3.44Å; N149-Q162 WeakPolarHBondContact O-CB 3.44Å; N149-Q162 VanDerWaalsContact O-CG 3.31Å; N149-Q162 WeakPolarHBondContact O-CG 3.09Å; N149-S165 VanDerWaalsContact O-CB 3.24Å; N149-S165 WeakPolarHBondContact O-CB 3.22Å; N149-S165 PolarHBondContact O-OG 2.88Å; N149-D202 PolarHBondContact ND2-OD2 3.37Å; N149-E205 HydrophobicContact CB-CG 4.35Å; N149-E205 PolarHBondContact N-OE1 3.36Å; N149-E205 VanDerWaalsContact N-OE1 3.15Å; N149-E205 WeakPolarHBondContact ND2-CG 3.41Å; N149-E205 PolarHBondContact ND2-OE1 3.3Å
150	T	98.9	Very high	98.6	Very high	4 Å²	4	19.7 Å²	19.7	3%	0.025	11%	0.113	C	C	.	.			trans	-82.4	164.3	166.8	70.8	0	0	0	0	109.6	I148 L152 T153 T154 K174 V175 I208	I148-T150 PolarHBondContact O-N 3.32Å; T150-L152 PolarHBondContact O-N 2.97Å; T150-L152 PolarHBondContact OG1-N 3.31Å; T150-T153 PolarHBondContact N-OG1 3.42Å; T150-T153 PolarHBondContact O-N 2.96Å; T150-T153 PolarHBondContact O-OG1 2.88Å; T150-T153 WeakPolarHBondContact OG1-CG2 3.4Å; T150-T153 PolarHBondContact OG1-N 3.43Å; T150-T153 VanDerWaalsContact OG1-N 3.12Å; T150-T153 PolarHBondContact OG1-OG1 3.14Å; T150-T154 PolarHBondContact O-N 2.8Å; T150-K174 HydrophobicContact CG2-CB 4.42Å; T150-V175 HydrophobicContact CG2-CG2 3.95Å; T150-I208 HydrophobicContact CG2-CD1 4.35Å
151	P	98.6	Very high	98.6	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.032	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-16.2	169.2	-28.9	36.7	0	0	0	115.1	V86 F166 V175 P176 L178	V86-P151 HydrophobicContact CG2-CB 4.16Å; P151-F166 HydrophobicContact CG-CE1 3.92Å; P151-F166 HydrophobicContact CG-CZ 3.65Å; P151-V175 HydrophobicContact CG-CG1 4.3Å; P151-P176 HydrophobicContact CB-CG 3.76Å; P151-P176 HydrophobicContact CG-CG 4.15Å; P151-L178 HydrophobicContact CB-CD1 4.35Å; P151-L178 HydrophobicContact CB-CD2 4.12Å; P151-L178 HydrophobicContact CG-CD1 3.86Å; P151-L178 HydrophobicContact CG-CD2 4.26Å; P151-L178 HydrophobicContact CG-CG 4.13Å
152	L	98.4	Very high	98.6	Very high	112 Å²	112	20.3 Å²	20.3	59%	0.586	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-18.8	179.1	-57.7	179.7	0	0	0	113.4	T150 P176	T150-L152 PolarHBondContact O-N 2.97Å; T150-L152 PolarHBondContact OG1-N 3.31Å; L152-P176 HydrophobicContact CD1-CG 4.48Å; L152-P176 HydrophobicContact CD2-CG 4.02Å; L152-P176 HydrophobicContact CG-CG 4.02Å
153	T	98.6	Very high	98.6	Very high	45 Å²	45	20.3 Å²	20.3	28%	0.276	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-25.5	-179	61.4	0	0	0	0	113	N149 T150 V155 P204	N149-T153 WeakPolarHBondContact CA-OG1 3.4Å; N149-T153 WeakPolarHBondContact OD1-CB 3.39Å; N149-T153 PolarHBondContact OD1-O 3.47Å; N149-T153 PolarHBondContact OD1-OG1 3.41Å; T150-T153 PolarHBondContact N-OG1 3.42Å; T150-T153 PolarHBondContact O-N 2.96Å; T150-T153 PolarHBondContact O-OG1 2.88Å; T150-T153 WeakPolarHBondContact OG1-CG2 3.4Å; T150-T153 PolarHBondContact OG1-N 3.43Å; T150-T153 VanDerWaalsContact OG1-N 3.12Å; T150-T153 PolarHBondContact OG1-OG1 3.14Å; T153-V155 PolarHBondContact O-N 2.83Å; T153-P204 HydrophobicContact CG2-CB 3.86Å
154	T	98.3	Very high	98.5	Very high	7 Å²	7	20.3 Å²	20.3	4%	0.043	12%	0.12	C	C	.	.			trans	-55.6	135.6	176.7	-175.7	0	0	0	0	111.1	L85 V86 T150 S156 G157	L85-T154 HydrophobicContact CD2-CG2 4.35Å; L85-T154 WeakPolarHBondContact CD2-O 3.36Å; V86-T154 HydrophobicContact CG2-CG2 4.24Å; T150-T154 PolarHBondContact O-N 2.8Å; T154-S156 PolarHBondContact OG1-N 2.88Å; T154-S156 PolarHBondContact OG1-OG 3.33Å; T154-G157 PolarHBondContact OG1-N 2.96Å; T154-G157 VanDerWaalsContact OG1-N 3.14Å
155	V	96.9	Very high	98.5	Very high	118 Å²	118	20.4 Å²	20.4	72%	0.715	12%	0.12	S	C	*	.	S	Bend	trans	-97.2	-20.9	171.9	-62.7	0	0	0	0	112.4	T153	T153-V155 PolarHBondContact O-N 2.83Å
156	S	97.5	Very high	98.5	Very high	45 Å²	45	20 Å²	20	32%	0.315	12%	0.118	S	C	.	.	S	Bend	trans	-89.1	-29.7	-176.9	69.2	0	0	0	0	112.8	K38 T154 N158	K38-S156 PolarHBondContact NZ-O 2.95Å; T154-S156 PolarHBondContact OG1-N 2.88Å; T154-S156 PolarHBondContact OG1-OG 3.33Å; S156-N158 PolarHBondContact O-N 3.25Å; S156-N158 PolarHBondContact OG-N 2.91Å; S156-N158 VanDerWaalsContact OG-N 3.14Å
157	G	98	Very high	98.5	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.118	C	C	.	.			trans	73.8	3.3	-170.1	0	0	0	0	0	114.2	L85 V86 V87 T154	L85-G157 WeakPolarHBondContact O-CA 3.47Å; V86-G157 WeakPolarHBondContact CA-O 3.45Å; V87-G157 PolarHBondContact N-O 2.9Å; T154-G157 PolarHBondContact OG1-N 2.96Å; T154-G157 VanDerWaalsContact OG1-N 3.14Å
158	N	98.6	Very high	98.5	Very high	21 Å²	21	19.6 Å²	19.6	11%	0.112	12%	0.116	C	C	.	.			trans	-80.8	125.6	178.7	-60.7	-10.2	0	0	0	109.3	G36 Q37 K38 S156 H160 Q162	G36-N158 CarbonylContact O-C 3.55Å; G36-N158 VanDerWaalsContact O-C 3.27Å; G36-N158 WeakPolarHBondContact O-CA 3.46Å; G36-N158 WeakPolarHBondContact O-CB 3.41Å; Q37-N158 HydrophobicContact CB-CB 4.32Å; K38-N158 WeakPolarHBondContact CE-OD1 3.37Å; K38-N158 PolarHBondContact NZ-OD1 3.25Å; S156-N158 PolarHBondContact O-N 3.25Å; S156-N158 PolarHBondContact OG-N 2.91Å; S156-N158 VanDerWaalsContact OG-N 3.14Å; N158-H160 VanDerWaalsContact C-N 3.3Å; N158-H160 VanDerWaalsContact CB-CD2 3.42Å; N158-H160 WeakPolarHBondContact CB-CD2 3.22Å; N158-H160 PolarHBondContact O-N 3.34Å; N158-Q162 VanDerWaalsContact C-NE2 3.27Å; N158-Q162 PolarHBondContact O-NE2 3.03Å
159	I	98.8	Very high	98.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-73.8	-19.5	-176.8	-63.1	169.3	0	0	0	112.3	G36 V86 P89 V92 I124 G161 Q162 P163 F166 F181	G36-I159 PolarHBondContact O-N 3.35Å; V86-I159 HydrophobicContact CG1-CD1 3.7Å; V86-I159 HydrophobicContact CG1-CG1 3.62Å; P89-I159 HydrophobicContact CB-CD1 4.41Å; V92-I159 HydrophobicContact CB-CD1 3.93Å; V92-I159 HydrophobicContact CG1-CB 4.21Å; V92-I159 HydrophobicContact CG1-CD1 4.14Å; V92-I159 HydrophobicContact CG1-CG2 3.76Å; V92-I159 HydrophobicContact CG2-CB 4.46Å; V92-I159 HydrophobicContact CG2-CD1 3.91Å; I124-I159 HydrophobicContact CD1-CG2 4.01Å; I159-G161 PolarHBondContact O-N 2.88Å; I159-Q162 WeakPolarHBondContact O-CB 3.45Å; I159-Q162 PolarHBondContact O-N 3.19Å; I159-P163 WeakPolarHBondContact O-CD 3.48Å; I159-F166 HydrophobicContact CG2-CE2 4.09Å; I159-F181 HydrophobicContact CD1-CE2 4.22Å; I159-F181 HydrophobicContact CD1-CZ 4.13Å; I159-F181 HydrophobicContact CG2-CZ 4.19Å
160	H	98.6	Very high	98.5	Very high	22 Å²	22	27.7 Å²	27.7	10%	0.102	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-60.6	-26.6	176.2	77.3	149.5	0	0	0	113.6	G36 Q37 D119 H120 N158 Q162 P163 E296	G36-H160 PolarHBondContact O-N 3.22Å; Q37-H160 HydrophobicContact CB-CB 4.44Å; D119-H160 HydrophobicContact CB-CB 4.11Å; H120-H160 HydrophobicContact CB-CB 4.37Å; N158-H160 VanDerWaalsContact C-N 3.3Å; N158-H160 VanDerWaalsContact CB-CD2 3.42Å; N158-H160 WeakPolarHBondContact CB-CD2 3.22Å; N158-H160 PolarHBondContact O-N 3.34Å; H160-Q162 VanDerWaalsContact C-N 3.34Å; H160-P163 WeakPolarHBondContact O-CD 3.27Å; H160-E296 IonicContact CE1-OE1 2.78Å; H160-E296 IonicContact CG-OE1 3.9Å; H160-E296 IonicContact ND1-OE1 3.78Å; H160-E296 PolarHBondContact ND1-OE1 3.17Å
161	G	98.8	Very high	98.5	Very high	13 Å²	13	27.5 Å²	27.5	13%	0.134	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-92.1	14.8	172.6	0	0	0	0	0	114.3	D147 I148 N149 I159	D147-G161 CarbonylContact C-O 3.54Å; D147-G161 WeakPolarHBondContact CA-O 3.46Å; D147-G161 WeakPolarHBondContact OD1-CA 3.33Å; I148-G161 PolarHBondContact N-O 3.22Å; N149-G161 WeakPolarHBondContact CB-O 3.45Å; N149-G161 PolarHBondContact N-O 3.04Å; I159-G161 PolarHBondContact O-N 2.88Å
162	Q	98.9	Very high	98.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.17	C	C	.	.			trans	-124.3	-4.7	-178.7	-57.4	172.4	53.5	0	0	116.5	D147 N149 N158 I159 H160 L164 S165 F166	D147-Q162 CarbonylContact O-C 3.55Å; D147-Q162 VanDerWaalsContact O-C 3.32Å; N149-Q162 HydrophobicContact CB-CG 4.08Å; N149-Q162 WeakPolarHBondContact O-CA 3.44Å; N149-Q162 WeakPolarHBondContact O-CB 3.44Å; N149-Q162 VanDerWaalsContact O-CG 3.31Å; N149-Q162 WeakPolarHBondContact O-CG 3.09Å; N158-Q162 VanDerWaalsContact C-NE2 3.27Å; N158-Q162 PolarHBondContact O-NE2 3.03Å; I159-Q162 WeakPolarHBondContact O-CB 3.45Å; I159-Q162 PolarHBondContact O-N 3.19Å; H160-Q162 VanDerWaalsContact C-N 3.34Å; Q162-L164 VanDerWaalsContact C-N 3.34Å; Q162-L164 PolarHBondContact O-N 3.44Å; Q162-S165 WeakPolarHBondContact O-CB 3.47Å; Q162-S165 PolarHBondContact O-N 3.24Å; Q162-S165 VanDerWaalsContact O-N 3.09Å; Q162-S165 PolarHBondContact O-OG 2.77Å; Q162-F166 HydrophobicContact CB-CE2 3.81Å; Q162-F166 VanDerWaalsContact O-CD2 3.28Å; Q162-F166 WeakPolarHBondContact O-CD2 3.24Å
163	P	98.9	Very high	98.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-57.5	-41.5	-164.1	24.7	-36.4	0	0	0	113.4	A123 I124 W141 D147 I159 H160 S165 F166	A123-P163 HydrophobicContact CB-CB 4.18Å; I124-P163 HydrophobicContact CD1-CB 4.17Å; I124-P163 HydrophobicContact CG1-CB 3.73Å; W141-P163 HydrophobicContact CH2-CB 4.29Å; W141-P163 HydrophobicContact CH2-CG 3.64Å; W141-P163 HydrophobicContact CZ2-CG 3.95Å; D147-P163 HydrophobicContact CB-CG 3.91Å; D147-P163 VanDerWaalsContact O-CD 3.28Å; D147-P163 WeakPolarHBondContact O-CD 3.47Å; I159-P163 WeakPolarHBondContact O-CD 3.48Å; H160-P163 WeakPolarHBondContact O-CD 3.27Å; P163-S165 VanDerWaalsContact C-N 3.29Å; P163-S165 PolarHBondContact O-N 3.08Å; P163-F166 PolarHBondContact O-N 2.93Å
164	L	98.8	Very high	98.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-69.8	-26.7	-176.6	-74.8	175.2	0	0	0	113.1	I127 W141 D147 I148 Q162 F166 L167 V168 L188 I193 Y195	I127-L164 HydrophobicContact CD1-CD2 4.41Å; W141-L164 HydrophobicContact CD2-CD1 3.64Å; W141-L164 HydrophobicContact CD2-CG 4.32Å; W141-L164 HydrophobicContact CE3-CD1 3.58Å; W141-L164 HydrophobicContact CE3-CD2 3.86Å; W141-L164 HydrophobicContact CE3-CG 3.86Å; W141-L164 HydrophobicContact CG-CD1 4.17Å; W141-L164 HydrophobicContact CH2-CD1 4.24Å; W141-L164 HydrophobicContact CH2-CD2 4.41Å; W141-L164 HydrophobicContact CH2-CG 3.93Å; W141-L164 HydrophobicContact CZ2-CD1 4.29Å; W141-L164 HydrophobicContact CZ2-CG 4.37Å; W141-L164 HydrophobicContact CZ3-CD1 3.9Å; W141-L164 HydrophobicContact CZ3-CD2 3.69Å; W141-L164 HydrophobicContact CZ3-CG 3.65Å; D147-L164 PolarHBondContact O-N 3.43Å; I148-L164 HydrophobicContact CB-CB 4.26Å; I148-L164 HydrophobicContact CD1-CB 4.26Å; I148-L164 HydrophobicContact CG1-CB 4Å; Q162-L164 VanDerWaalsContact C-N 3.34Å; Q162-L164 PolarHBondContact O-N 3.44Å; L164-F166 PolarHBondContact O-N 3.35Å; L164-L167 HydrophobicContact CD2-CD1 4.36Å; L164-L167 PolarHBondContact O-N 3.09Å; L164-V168 VanDerWaalsContact O-CG2 3.32Å; L164-V168 WeakPolarHBondContact O-CG2 3.37Å; L164-V168 PolarHBondContact O-N 3.09Å; L164-L188 HydrophobicContact CD2-CD1 3.92Å; L164-I193 HydrophobicContact CD2-CD1 4.28Å; L164-Y195 HydrophobicContact CD1-CE1 3.59Å; L164-Y195 HydrophobicContact CD1-CE2 4.49Å; L164-Y195 VanDerWaalsContact CD1-CZ 3.42Å; L164-Y195 WeakPolarHBondContact CD1-OH 3.41Å
165	S	98.8	Very high	98.2	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.014	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-60	-35.6	175.5	77.2	0	0	0	0	112	N149 Q162 P163 L167 V175	N149-S165 VanDerWaalsContact O-CB 3.24Å; N149-S165 WeakPolarHBondContact O-CB 3.22Å; N149-S165 PolarHBondContact O-OG 2.88Å; Q162-S165 WeakPolarHBondContact O-CB 3.47Å; Q162-S165 PolarHBondContact O-N 3.24Å; Q162-S165 VanDerWaalsContact O-N 3.09Å; Q162-S165 PolarHBondContact O-OG 2.77Å; P163-S165 VanDerWaalsContact C-N 3.29Å; P163-S165 PolarHBondContact O-N 3.08Å; S165-L167 VanDerWaalsContact C-N 3.29Å; S165-L167 PolarHBondContact O-N 3.35Å; S165-V175 WeakPolarHBondContact O-CG2 3.39Å
166	F	98.8	Very high	98.2	Very high	12 Å²	12	31.9 Å²	31.9	5%	0.053	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-75	-17	177.7	-61.9	-78.6	0	0	0	113.6	I124 P151 I159 Q162 P163 L164 V175 L178 F181 V184 P186	I124-F166 HydrophobicContact CD1-CD2 3.87Å; I124-F166 HydrophobicContact CD1-CE2 4.32Å; I124-F166 HydrophobicContact CG1-CD2 4.3Å; P151-F166 HydrophobicContact CG-CE1 3.92Å; P151-F166 HydrophobicContact CG-CZ 3.65Å; I159-F166 HydrophobicContact CG2-CE2 4.09Å; Q162-F166 HydrophobicContact CB-CE2 3.81Å; Q162-F166 VanDerWaalsContact O-CD2 3.28Å; Q162-F166 WeakPolarHBondContact O-CD2 3.24Å; P163-F166 PolarHBondContact O-N 2.93Å; L164-F166 PolarHBondContact O-N 3.35Å; F166-V175 HydrophobicContact CD1-CG1 3.73Å; F166-V175 HydrophobicContact CE1-CG1 3.8Å; F166-L178 HydrophobicContact CE1-CD1 3.86Å; F166-L178 HydrophobicContact CE1-CG 4.23Å; F166-L178 HydrophobicContact CZ-CD1 3.64Å; F166-L178 HydrophobicContact CZ-CG 4.47Å; F166-F181 AromaticContact CD1-CD1 3.71Å; F166-F181 HydrophobicContact CD1-CD1 3.71Å; F166-F181 AromaticContact CD1-CE1 3.96Å; F166-F181 HydrophobicContact CD1-CE1 3.96Å; F166-F181 HydrophobicContact CD2-CE1 4.09Å; F166-F181 AromaticContact CE1-CD1 3.73Å; F166-F181 HydrophobicContact CE1-CD1 3.73Å; F166-F181 AromaticContact CE1-CE1 3.84Å; F166-F181 HydrophobicContact CE1-CE1 3.84Å; F166-F181 HydrophobicContact CE1-CG 4.39Å; F166-F181 AromaticContact CE2-CE1 3.97Å; F166-F181 HydrophobicContact CE2-CE1 3.97Å; F166-F181 HydrophobicContact CG-CD1 4.18Å; F166-F181 HydrophobicContact CG-CE1 4.08Å; F166-F181 HydrophobicContact CZ-CD1 4.21Å; F166-F181 AromaticContact CZ-CE1 3.84Å; F166-F181 HydrophobicContact CZ-CE1 3.84Å; F166-F181 HydrophobicContact CZ-CZ 4.3Å; F166-V184 HydrophobicContact CB-CG1 4.41Å; F166-P186 WeakPolarHBondContact O-CG 3.12Å
167	L	98.8	Very high	98.3	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	-25.2	-170.7	-63.4	176.8	0	0	0	113.5	I127 S128 L164 S165 V184 P186 C187 L188	I127-L167 HydrophobicContact CB-CD1 3.81Å; I127-L167 HydrophobicContact CD1-CD1 3.67Å; I127-L167 HydrophobicContact CG1-CD1 4.27Å; I127-L167 HydrophobicContact CG2-CD1 4.01Å; S128-L167 WeakPolarHBondContact OG-CD2 3.31Å; L164-L167 HydrophobicContact CD2-CD1 4.36Å; L164-L167 PolarHBondContact O-N 3.09Å; S165-L167 VanDerWaalsContact C-N 3.29Å; S165-L167 PolarHBondContact O-N 3.35Å; L167-V184 HydrophobicContact CD2-CG1 4.44Å; L167-P186 CarbonylContact O-C 3.32Å; L167-P186 WeakPolarHBondContact O-CA 3.44Å; L167-P186 WeakPolarHBondContact O-CB 3.5Å; L167-C187 PolarHBondContact O-N 3.01Å; L167-L188 HydrophobicContact CB-CD1 3.99Å; L167-L188 HydrophobicContact CB-CG 4.33Å; L167-L188 HydrophobicContact CD1-CD1 4.5Å; L167-L188 PolarHBondContact O-N 3.4Å
168	V	98.8	Very high	98.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-80.1	121.3	-179.8	174.2	0	0	0	0	110.5	I148 L164 E170 L171 I193	I148-V168 HydrophobicContact CD1-CG2 4.48Å; L164-V168 VanDerWaalsContact O-CG2 3.32Å; L164-V168 WeakPolarHBondContact O-CG2 3.37Å; L164-V168 PolarHBondContact O-N 3.09Å; V168-E170 VanDerWaalsContact C-N 3.29Å; V168-E170 HydrophobicContact CG1-CB 4.19Å; V168-E170 VanDerWaalsContact CG1-OE2 3.24Å; V168-E170 WeakPolarHBondContact CG1-OE2 3.32Å; V168-E170 PolarHBondContact O-N 2.83Å; V168-L171 HydrophobicContact CB-CB 4.44Å; V168-L171 HydrophobicContact CB-CD1 4.07Å; V168-L171 HydrophobicContact CB-CG 4.3Å; V168-L171 HydrophobicContact CG1-CB 4.45Å; V168-L171 HydrophobicContact CG1-CD1 4.21Å; V168-L171 HydrophobicContact CG1-CG 4.06Å; V168-L171 PolarHBondContact O-N 2.95Å; V168-I193 HydrophobicContact CG2-CD1 3.49Å; V168-I193 VanDerWaalsContact CG2-CD1 3.49Å
169	R	98.6	Very high	98.2	Very high	111 Å²	111	36.9 Å²	36.9	42%	0.419	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-62.1	-36.6	-177.2	-72.4	175.8	-164.3	113.6	-1.6	112.8	L171 Q172 P186 C187 L188	R169-L171 PolarHBondContact O-N 2.54Å; R169-Q172 WeakPolarHBondContact O-CB 3.29Å; R169-Q172 WeakPolarHBondContact O-CG 3.44Å; R169-Q172 PolarHBondContact O-N 3.42Å; R169-P186 HydrophobicContact CG-CB 4.06Å; R169-P186 WeakPolarHBondContact CG-O 2.95Å; R169-P186 PolarHBondContact NE-O 3.24Å; R169-C187 PolarHBondContact NH2-O 2.82Å; R169-L188 WeakPolarHBondContact CB-O 3.13Å; R169-L188 VanDerWaalsContact CG-O 3.25Å; R169-L188 WeakPolarHBondContact CG-O 3.35Å; R169-L188 PolarHBondContact N-O 3Å
170	E	98.6	Very high	98.2	Very high	64 Å²	64	38.2 Å²	38.2	30%	0.299	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-69	-13.7	-177.9	-61.5	82.2	174.9	0	0	113.2	V168 S189 S190 Y212	V168-E170 VanDerWaalsContact C-N 3.29Å; V168-E170 HydrophobicContact CG1-CB 4.19Å; V168-E170 VanDerWaalsContact CG1-OE2 3.24Å; V168-E170 WeakPolarHBondContact CG1-OE2 3.32Å; V168-E170 PolarHBondContact O-N 2.83Å; E170-S189 WeakPolarHBondContact OE1-CA 3.15Å; E170-S189 WeakPolarHBondContact OE1-CB 3.44Å; E170-S189 WeakPolarHBondContact OE2-CA 3.35Å; E170-S190 PolarHBondContact OE1-N 2.82Å; E170-S190 PolarHBondContact OE2-N 3.09Å; E170-S190 VanDerWaalsContact OE2-N 3.12Å; E170-Y212 HydrophobicContact CB-CD1 3.68Å; E170-Y212 HydrophobicContact CB-CE1 3.96Å; E170-Y212 VanDerWaalsContact O-CE1 3.31Å; E170-Y212 WeakPolarHBondContact O-CE1 3.43Å
171	L	98.2	Very high	98.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-97.2	-1.3	177.9	-71.5	176.5	0	0	0	114	I148 V168 R169 D173 K174 V175 I208 Y212	I148-L171 HydrophobicContact CD1-CD1 4.02Å; I148-L171 HydrophobicContact CG1-CD1 3.86Å; V168-L171 HydrophobicContact CB-CB 4.44Å; V168-L171 HydrophobicContact CB-CD1 4.07Å; V168-L171 HydrophobicContact CB-CG 4.3Å; V168-L171 HydrophobicContact CG1-CB 4.45Å; V168-L171 HydrophobicContact CG1-CD1 4.21Å; V168-L171 HydrophobicContact CG1-CG 4.06Å; V168-L171 PolarHBondContact O-N 2.95Å; R169-L171 PolarHBondContact O-N 2.54Å; L171-D173 VanDerWaalsContact C-N 3.29Å; L171-D173 PolarHBondContact O-N 3.34Å; L171-K174 WeakPolarHBondContact O-CA 3.24Å; L171-K174 WeakPolarHBondContact O-CB 3.31Å; L171-K174 PolarHBondContact O-N 2.69Å; L171-V175 HydrophobicContact CB-CG2 4.43Å; L171-V175 PolarHBondContact O-N 3.04Å; L171-I208 HydrophobicContact CD1-CG2 3.99Å; L171-I208 HydrophobicContact CD2-CG1 4.35Å; L171-I208 HydrophobicContact CD2-CG2 4.12Å; L171-Y212 HydrophobicContact CD2-CD2 3.9Å; L171-Y212 HydrophobicContact CD2-CE1 4.44Å; L171-Y212 HydrophobicContact CD2-CE2 3.31Å; L171-Y212 HydrophobicContact CG-CE2 4.41Å
172	Q	95	Very high	98.1	Very high	105 Å²	105	41.5 Å²	41.5	49%	0.491	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-35.6	-172.1	-80.8	-173.9	43.2	0	0	114.6	R169 K174 P186	R169-Q172 WeakPolarHBondContact O-CB 3.29Å; R169-Q172 WeakPolarHBondContact O-CG 3.44Å; R169-Q172 PolarHBondContact O-N 3.42Å; Q172-K174 PolarHBondContact O-N 3.04Å; Q172-P186 HydrophobicContact CG-CB 4.09Å; Q172-P186 HydrophobicContact CG-CG 3.59Å; Q172-P186 VanDerWaalsContact NE2-CB 3.35Å
173	D	97	Very high	98.1	Very high	116 Å²	116	43.3 Å²	43.3	62%	0.62	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-7	178.3	73.1	-47.3	0	0	0	112.9	L171	L171-D173 VanDerWaalsContact C-N 3.29Å; L171-D173 PolarHBondContact O-N 3.34Å
174	K	98.1	Very high	98.1	Very high	101 Å²	101	44.4 Å²	44.4	44%	0.439	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-13.5	178.5	-51.2	-50.6	-178.7	-150.3	0	113.6	T150 L171 Q172	T150-K174 HydrophobicContact CG2-CB 4.42Å; L171-K174 WeakPolarHBondContact O-CA 3.24Å; L171-K174 WeakPolarHBondContact O-CB 3.31Å; L171-K174 PolarHBondContact O-N 2.69Å; Q172-K174 PolarHBondContact O-N 3.04Å
175	V	98.3	Very high	98.1	Very high	28 Å²	28	52.5 Å²	52.5	17%	0.17	27%	0.267	C	S	.	.	S	Bend	trans	-102.6	115.4	-177.2	177.4	0	0	0	0	110.1	T150 P151 S165 F166 L171	T150-V175 HydrophobicContact CG2-CG2 3.95Å; P151-V175 HydrophobicContact CG-CG1 4.3Å; S165-V175 WeakPolarHBondContact O-CG2 3.39Å; F166-V175 HydrophobicContact CD1-CG1 3.73Å; F166-V175 HydrophobicContact CE1-CG1 3.8Å; L171-V175 HydrophobicContact CB-CG2 4.43Å; L171-V175 PolarHBondContact O-N 3.04Å
176	P	97.8	Very high	98	Very high	29 Å²	29	53.9 Å²	53.9	19%	0.188	28%	0.276	C	S	.	.			trans	-70.6	152.7	176.8	31.1	-35.8	0	0	0	111	Y82 P151 L152 L178	Y82-P176 HydrophobicContact CE1-CG 4.36Å; P151-P176 HydrophobicContact CB-CG 3.76Å; P151-P176 HydrophobicContact CG-CG 4.15Å; L152-P176 HydrophobicContact CD1-CG 4.48Å; L152-P176 HydrophobicContact CD2-CG 4.02Å; L152-P176 HydrophobicContact CG-CG 4.02Å; P176-L178 HydrophobicContact CG-CD2 4.47Å; P176-L178 PolarHBondContact O-N 2.81Å; P176-L178 VanDerWaalsContact O-N 3.11Å
177	Q	97.6	Very high	98	Very high	124 Å²	124	54.1 Å²	54.1	58%	0.579	28%	0.279	S	S	*	.			trans	-71.2	107.8	174.8	-173.2	61	67.2	0	0	110.7	F181 S182	Q177-F181 PolarHBondContact NE2-O 2.86Å; Q177-S182 VanDerWaalsContact NE2-CA 3.34Å; Q177-S182 VanDerWaalsContact NE2-N 3.15Å
178	L	97.9	Very high	98	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	28%	0.279	C	S	.	.			trans	-81.3	149	174.3	-60.8	-171.5	0	0	0	111.9	Y82 V86 P89 P151 F166 P176 G180 F181	Y82-L178 HydrophobicContact CD1-CD2 3.26Å; Y82-L178 HydrophobicContact CD2-CD2 3.88Å; Y82-L178 HydrophobicContact CE1-CD2 3.49Å; Y82-L178 VanDerWaalsContact CE1-CD2 3.49Å; Y82-L178 HydrophobicContact CE2-CD2 4.06Å; Y82-L178 HydrophobicContact CG-CD2 3.46Å; Y82-L178 VanDerWaalsContact CG-CD2 3.46Å; V86-L178 HydrophobicContact CG1-CD1 4.05Å; P89-L178 HydrophobicContact CB-CB 4.49Å; P89-L178 HydrophobicContact CB-CD1 4.48Å; P151-L178 HydrophobicContact CB-CD1 4.35Å; P151-L178 HydrophobicContact CB-CD2 4.12Å; P151-L178 HydrophobicContact CG-CD1 3.86Å; P151-L178 HydrophobicContact CG-CD2 4.26Å; P151-L178 HydrophobicContact CG-CG 4.13Å; F166-L178 HydrophobicContact CE1-CD1 3.86Å; F166-L178 HydrophobicContact CE1-CG 4.23Å; F166-L178 HydrophobicContact CZ-CD1 3.64Å; F166-L178 HydrophobicContact CZ-CG 4.47Å; P176-L178 HydrophobicContact CG-CD2 4.47Å; P176-L178 PolarHBondContact O-N 2.81Å; P176-L178 VanDerWaalsContact O-N 3.11Å; L178-G180 PolarHBondContact O-N 2.88Å; L178-F181 HydrophobicContact CB-CB 4.15Å; L178-F181 HydrophobicContact CB-CD2 3.76Å; L178-F181 HydrophobicContact CB-CE2 4.44Å; L178-F181 HydrophobicContact CB-CG 4.09Å; L178-F181 HydrophobicContact CD1-CD2 4.38Å; L178-F181 HydrophobicContact CD1-CE2 4.32Å; L178-F181 PolarHBondContact O-N 2.84Å
179	P	97.8	Very high	98	Very high	42 Å²	42	55.4 Å²	55.4	27%	0.273	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	130.5	166.6	-22.2	33.4	0	0	0	110.9	Y82 P89 R90	Y82-P179 HydrophobicContact CD2-CG 4.26Å; P89-P179 CarbonylContact C-O 3.58Å; R90-P179 HydrophobicContact CG-CB 3.72Å
180	G	97.7	Very high	97.9	Very high	29 Å²	29	50.7 Å²	50.7	30%	0.299	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	-7	-177.3	0	0	0	0	0	115.2	G93 L178 W183	G93-G180 CarbonylContact C-O 3.58Å; G93-G180 VanDerWaalsContact CA-O 3.27Å; G93-G180 WeakPolarHBondContact CA-O 3.37Å; L178-G180 PolarHBondContact O-N 2.88Å; G180-W183 PolarHBondContact O-NE1 3.34Å
181	F	98.6	Very high	97.8	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.018	28%	0.282	C	S	.	.			trans	-109.2	4.2	-174.7	-79.4	-107	0	0	0	114.5	P89 V92 I124 I159 F166 Q177 L178 W183 V184	P89-F181 WeakPolarHBondContact O-CE2 3.33Å; V92-F181 HydrophobicContact CB-CE2 4.46Å; V92-F181 HydrophobicContact CB-CZ 4.32Å; V92-F181 HydrophobicContact CG1-CZ 3.92Å; I124-F181 HydrophobicContact CD1-CE1 3.73Å; I124-F181 HydrophobicContact CD1-CZ 4.23Å; I159-F181 HydrophobicContact CD1-CE2 4.22Å; I159-F181 HydrophobicContact CD1-CZ 4.13Å; I159-F181 HydrophobicContact CG2-CZ 4.19Å; F166-F181 AromaticContact CD1-CD1 3.71Å; F166-F181 HydrophobicContact CD1-CD1 3.71Å; F166-F181 AromaticContact CD1-CE1 3.96Å; F166-F181 HydrophobicContact CD1-CE1 3.96Å; F166-F181 HydrophobicContact CD2-CE1 4.09Å; F166-F181 AromaticContact CE1-CD1 3.73Å; F166-F181 HydrophobicContact CE1-CD1 3.73Å; F166-F181 AromaticContact CE1-CE1 3.84Å; F166-F181 HydrophobicContact CE1-CE1 3.84Å; F166-F181 HydrophobicContact CE1-CG 4.39Å; F166-F181 AromaticContact CE2-CE1 3.97Å; F166-F181 HydrophobicContact CE2-CE1 3.97Å; F166-F181 HydrophobicContact CG-CD1 4.18Å; F166-F181 HydrophobicContact CG-CE1 4.08Å; F166-F181 HydrophobicContact CZ-CD1 4.21Å; F166-F181 AromaticContact CZ-CE1 3.84Å; F166-F181 HydrophobicContact CZ-CE1 3.84Å; F166-F181 HydrophobicContact CZ-CZ 4.3Å; Q177-F181 PolarHBondContact NE2-O 2.86Å; L178-F181 HydrophobicContact CB-CB 4.15Å; L178-F181 HydrophobicContact CB-CD2 3.76Å; L178-F181 HydrophobicContact CB-CE2 4.44Å; L178-F181 HydrophobicContact CB-CG 4.09Å; L178-F181 HydrophobicContact CD1-CD2 4.38Å; L178-F181 HydrophobicContact CD1-CE2 4.32Å; L178-F181 PolarHBondContact O-N 2.84Å; F181-W183 PolarHBondContact O-N 2.85Å; F181-W183 VanDerWaalsContact O-N 3.13Å; F181-V184 HydrophobicContact CB-CG2 4.44Å; F181-V184 HydrophobicContact CD1-CG2 4Å; F181-V184 WeakPolarHBondContact O-CB 3.48Å; F181-V184 PolarHBondContact O-N 3.14Å; F181-V184 VanDerWaalsContact O-N 3.09Å
182	S	98.2	Very high	97.8	Very high	99 Å²	99	52.1 Å²	52.1	69%	0.692	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-14.7	-175.4	54.6	0	0	0	0	114.2	Q177	Q177-S182 VanDerWaalsContact NE2-CA 3.34Å; Q177-S182 VanDerWaalsContact NE2-N 3.15Å
183	W	98.6	Very high	98	Very high	39 Å²	39	47.1 Å²	47.1	15%	0.148	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-18.3	175.7	67.9	-93.2	0	0	0	112.8	G93 N96 Q97 A100 I124 G180 F181 K185	G93-W183 PolarHBondContact O-NE1 3.02Å; N96-W183 VanDerWaalsContact C-CZ2 3.41Å; N96-W183 HydrophobicContact CB-CH2 4.09Å; N96-W183 HydrophobicContact CB-CZ2 3.62Å; N96-W183 WeakPolarHBondContact O-CH2 3.4Å; Q97-W183 HydrophobicContact CB-CD2 3.93Å; Q97-W183 HydrophobicContact CB-CG 4.18Å; Q97-W183 HydrophobicContact CB-CZ2 4.01Å; Q97-W183 HydrophobicContact CG-CB 4.49Å; Q97-W183 HydrophobicContact CG-CD2 3.89Å; Q97-W183 HydrophobicContact CG-CE3 4.37Å; Q97-W183 HydrophobicContact CG-CG 3.91Å; A100-W183 HydrophobicContact CB-CH2 4.03Å; A100-W183 HydrophobicContact CB-CZ3 3.84Å; I124-W183 HydrophobicContact CG2-CH2 4.19Å; I124-W183 HydrophobicContact CG2-CZ2 4.23Å; G180-W183 PolarHBondContact O-NE1 3.34Å; F181-W183 PolarHBondContact O-N 2.85Å; F181-W183 VanDerWaalsContact O-N 3.13Å; W183-K185 PolarHBondContact O-N 3.48Å
184	V	98.4	Very high	98.1	Very high	22 Å²	22	41.7 Å²	41.7	13%	0.133	23%	0.234	C	C	.	.			trans	-70	129.1	-176	-178.9	0	0	0	0	109.5	I124 F166 L167 F181	I124-V184 HydrophobicContact CG2-CG2 3.97Å; F166-V184 HydrophobicContact CB-CG1 4.41Å; L167-V184 HydrophobicContact CD2-CG1 4.44Å; F181-V184 HydrophobicContact CB-CG2 4.44Å; F181-V184 HydrophobicContact CD1-CG2 4Å; F181-V184 WeakPolarHBondContact O-CB 3.48Å; F181-V184 PolarHBondContact O-N 3.14Å; F181-V184 VanDerWaalsContact O-N 3.09Å
185	K	98.1	Very high	98.2	Very high	170 Å²	170	36.9 Å²	36.9	74%	0.739	21%	0.214	S	C	*	.			trans	-119.1	111.2	174	-65.8	-178	-176.3	179.9	0	107.8	W183 C187	W183-K185 PolarHBondContact O-N 3.48Å; K185-C187 PolarHBondContact O-N 3.47Å; K185-C187 VanDerWaalsContact O-N 3.14Å
186	P	98.1	Very high	98.2	Very high	31 Å²	31	35.5 Å²	35.5	20%	0.201	21%	0.206	C	C	.	.			trans	-57.8	122	-177.5	-26.9	36.7	0	0	0	110.8	F166 L167 R169 Q172	F166-P186 WeakPolarHBondContact O-CG 3.12Å; L167-P186 CarbonylContact O-C 3.32Å; L167-P186 WeakPolarHBondContact O-CA 3.44Å; L167-P186 WeakPolarHBondContact O-CB 3.5Å; R169-P186 HydrophobicContact CG-CB 4.06Å; R169-P186 WeakPolarHBondContact CG-O 2.95Å; R169-P186 PolarHBondContact NE-O 3.24Å; Q172-P186 HydrophobicContact CG-CB 4.09Å; Q172-P186 HydrophobicContact CG-CG 3.59Å; Q172-P186 VanDerWaalsContact NE2-CB 3.35Å
187	C	98.4	Very high	98.2	Very high	17 Å²	17	34.1 Å²	34.1	12%	0.115	20%	0.197	C	C	.	.			trans	-117	-5.2	-165.6	57.5	0	0	0	0	113.4	A131 L167 R169 K185	A131-C187 HydrophobicContact CB-CB 3.57Å; L167-C187 PolarHBondContact O-N 3.01Å; R169-C187 PolarHBondContact NH2-O 2.82Å; K185-C187 PolarHBondContact O-N 3.47Å; K185-C187 VanDerWaalsContact O-N 3.14Å
188	L	98.4	Very high	98.3	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-108.2	151.7	178.9	-57.3	178	0	0	0	111.1	I127 L137 V139 L164 L167 R169 I193	I127-L188 HydrophobicContact CG2-CD1 4.11Å; I127-L188 HydrophobicContact CG2-CD2 4.08Å; I127-L188 HydrophobicContact CG2-CG 4.18Å; L137-L188 HydrophobicContact CD1-CD2 3.59Å; V139-L188 HydrophobicContact CG2-CD1 3.78Å; V139-L188 HydrophobicContact CG2-CD2 3.7Å; V139-L188 HydrophobicContact CG2-CG 4.42Å; L164-L188 HydrophobicContact CD2-CD1 3.92Å; L167-L188 HydrophobicContact CB-CD1 3.99Å; L167-L188 HydrophobicContact CB-CG 4.33Å; L167-L188 HydrophobicContact CD1-CD1 4.5Å; L167-L188 PolarHBondContact O-N 3.4Å; R169-L188 WeakPolarHBondContact CB-O 3.13Å; R169-L188 VanDerWaalsContact CG-O 3.25Å; R169-L188 WeakPolarHBondContact CG-O 3.35Å; R169-L188 PolarHBondContact N-O 3Å; L188-I193 HydrophobicContact CB-CD1 4.09Å; L188-I193 HydrophobicContact CB-CG1 4.42Å; L188-I193 HydrophobicContact CD1-CD1 3.75Å; L188-I193 HydrophobicContact CD1-CG1 4.05Å
189	S	97.9	Very high	98.4	Very high	27 Å²	27	30.8 Å²	30.8	19%	0.189	18%	0.179	C	C	.	.			trans	-111.3	150.5	163.4	57.5	0	0	0	0	108.4	E170 P191 S192	E170-S189 WeakPolarHBondContact OE1-CA 3.15Å; E170-S189 WeakPolarHBondContact OE1-CB 3.44Å; E170-S189 WeakPolarHBondContact OE2-CA 3.35Å; S189-P191 VanDerWaalsContact C-N 3.3Å; S189-P191 VanDerWaalsContact O-N 3.11Å; S189-S192 WeakPolarHBondContact O-CB 3.42Å; S189-S192 PolarHBondContact O-N 2.98Å; S189-S192 PolarHBondContact OG-OG 3.01Å; S189-S192 VanDerWaalsContact OG-OG 3.1Å
190	S	97.3	Very high	98.4	Very high	12 Å²	12	32.7 Å²	32.7	8%	0.084	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-48.7	-39.6	179.9	64.1	0	0	0	0	115.1	E170 S192 I193 Y212	E170-S190 PolarHBondContact OE1-N 2.82Å; E170-S190 PolarHBondContact OE2-N 3.09Å; E170-S190 VanDerWaalsContact OE2-N 3.12Å; S190-S192 PolarHBondContact O-N 3.47Å; S190-S192 VanDerWaalsContact O-N 3.15Å; S190-I193 PolarHBondContact O-N 3.32Å; S190-Y212 VanDerWaalsContact CB-O 3.23Å; S190-Y212 WeakPolarHBondContact CB-O 3.48Å; S190-Y212 PolarHBondContact OG-O 2.65Å
191	P	97.7	Very high	98.5	Very high	79 Å²	79	33.3 Å²	33.3	51%	0.513	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-76.5	-1.1	-179.3	-15.1	33	0	0	0	114.3	S189	S189-P191 VanDerWaalsContact C-N 3.3Å; S189-P191 VanDerWaalsContact O-N 3.11Å
192	S	98.2	Very high	98.5	Very high	16 Å²	16	35.7 Å²	35.7	11%	0.112	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-100.7	10.5	178.2	-60.6	0	0	0	0	112.5	C138 V139 S189 S190	C138-S192 CarbonylContact C-O 3.39Å; C138-S192 VanDerWaalsContact CA-O 3.32Å; C138-S192 WeakPolarHBondContact CA-O 3.3Å; C138-S192 WeakPolarHBondContact CB-O 3.42Å; V139-S192 PolarHBondContact N-O 2.9Å; S189-S192 WeakPolarHBondContact O-CB 3.42Å; S189-S192 PolarHBondContact O-N 2.98Å; S189-S192 PolarHBondContact OG-OG 3.01Å; S189-S192 VanDerWaalsContact OG-OG 3.1Å; S190-S192 PolarHBondContact O-N 3.47Å; S190-S192 VanDerWaalsContact O-N 3.15Å
193	I	98.8	Very high	98.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133	179.3	-52.5	171.7	0	0	0	108.1	V139 L164 V168 L188 S190 Y195 I214	V139-I193 HydrophobicContact CB-CG1 4.34Å; V139-I193 HydrophobicContact CB-CG2 4.47Å; V139-I193 WeakPolarHBondContact O-CA 3.5Å; L164-I193 HydrophobicContact CD2-CD1 4.28Å; V168-I193 HydrophobicContact CG2-CD1 3.49Å; V168-I193 VanDerWaalsContact CG2-CD1 3.49Å; L188-I193 HydrophobicContact CB-CD1 4.09Å; L188-I193 HydrophobicContact CB-CG1 4.42Å; L188-I193 HydrophobicContact CD1-CD1 3.75Å; L188-I193 HydrophobicContact CD1-CG1 4.05Å; S190-I193 PolarHBondContact O-N 3.32Å; I193-Y195 HydrophobicContact CG2-CD2 4.29Å; I193-Y195 HydrophobicContact CG2-CE2 4.01Å; I193-I214 HydrophobicContact CB-CG2 4.31Å; I193-I214 HydrophobicContact CG2-CG2 4.44Å
194	V	98.9	Very high	98.5	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.9	166.4	175	0	0	0	0	108.9	V139 I140 W141 I196 Q215 F217 T234 L237 L238	V139-V194 PolarHBondContact O-N 2.97Å; I140-V194 WeakPolarHBondContact CA-O 3.07Å; W141-V194 PolarHBondContact N-O 2.76Å; V194-I196 HydrophobicContact CG1-CG1 4.39Å; V194-Q215 WeakPolarHBondContact CA-O 3.35Å; V194-Q215 HydrophobicContact CG2-CB 4.13Å; V194-F217 HydrophobicContact CG1-CD2 3.8Å; V194-F217 HydrophobicContact CG1-CE2 3.8Å; V194-T234 HydrophobicContact CB-CG2 4.03Å; V194-T234 HydrophobicContact CG1-CG2 3.85Å; V194-T234 HydrophobicContact CG2-CG2 4.35Å; V194-L237 HydrophobicContact CG2-CB 4.3Å; V194-L237 HydrophobicContact CG2-CD1 4.22Å; V194-L238 HydrophobicContact CB-CD1 4.19Å; V194-L238 HydrophobicContact CB-CG 4.44Å; V194-L238 HydrophobicContact CG2-CD1 3.99Å; V194-L238 HydrophobicContact CG2-CD2 3.74Å; V194-L238 HydrophobicContact CG2-CG 3.69Å
195	Y	98.9	Very high	98.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	147.3	171.5	-64.9	-92.5	0	0	0	112.2	W141 A146 L164 I193 L198 L209 I214 Q215 Y216 F217	W141-Y195 HydrophobicContact CB-CD1 3.61Å; W141-Y195 HydrophobicContact CB-CE1 3.91Å; W141-Y195 HydrophobicContact CB-CG 4.32Å; W141-Y195 AromaticContact CD1-CD1 3.5Å; W141-Y195 VanDerWaalsContact CD1-CD1 3.5Å; W141-Y195 AromaticContact CD1-CE1 3.56Å; W141-Y195 HydrophobicContact CD2-CE1 4.35Å; W141-Y195 AromaticContact CG-CD1 3.7Å; W141-Y195 HydrophobicContact CG-CD1 3.7Å; W141-Y195 AromaticContact CG-CE1 3.66Å; W141-Y195 HydrophobicContact CG-CE1 3.66Å; W141-Y195 CarbonylContact O-C 3.54Å; W141-Y195 VanDerWaalsContact O-CA 3.28Å; W141-Y195 WeakPolarHBondContact O-CA 3.36Å; A146-Y195 HydrophobicContact CB-CE1 4.46Å; A146-Y195 WeakPolarHBondContact O-CE1 3.21Å; A146-Y195 VanDerWaalsContact O-CZ 3.26Å; A146-Y195 PolarHBondContact O-OH 2.88Å; L164-Y195 HydrophobicContact CD1-CE1 3.59Å; L164-Y195 HydrophobicContact CD1-CE2 4.49Å; L164-Y195 VanDerWaalsContact CD1-CZ 3.42Å; L164-Y195 WeakPolarHBondContact CD1-OH 3.41Å; I193-Y195 HydrophobicContact CG2-CD2 4.29Å; I193-Y195 HydrophobicContact CG2-CE2 4.01Å; Y195-L198 HydrophobicContact CD1-CD2 3.96Å; Y195-L198 HydrophobicContact CG-CD1 4.15Å; Y195-L198 HydrophobicContact CG-CD2 4.28Å; Y195-L198 HydrophobicContact CG-CG 4.42Å; Y195-L209 HydrophobicContact CD2-CD2 3.96Å; Y195-L209 HydrophobicContact CE2-CD2 3.51Å; Y195-I214 HydrophobicContact CD2-CG2 3.94Å; Y195-I214 HydrophobicContact CE2-CG2 3.62Å; Y195-Q215 PolarHBondContact N-O 2.88Å; Y195-Q215 VanDerWaalsContact N-O 3.09Å; Y195-Y216 CarbonylContact O-C 3.52Å; Y195-Y216 WeakPolarHBondContact O-CA 3.33Å; Y195-F217 PolarHBondContact O-N 3.17Å
196	I	98.9	Very high	98.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	126.5	173.5	-56.1	177.4	0	0	0	108.8	I140 W141 V142 D143 V194 F217 I222 I227 V230 M231 T234 I279	I140-I196 HydrophobicContact CG2-CD1 3.93Å; I140-I196 HydrophobicContact CG2-CG1 4.49Å; W141-I196 PolarHBondContact O-N 3.21Å; V142-I196 WeakPolarHBondContact CA-O 3.45Å; V142-I196 HydrophobicContact CG2-CB 4.48Å; D143-I196 PolarHBondContact N-O 3.07Å; V194-I196 HydrophobicContact CG1-CG1 4.39Å; I196-F217 WeakPolarHBondContact CA-O 3.24Å; I196-F217 HydrophobicContact CG1-CD2 4.43Å; I196-I222 HydrophobicContact CG2-CD1 3.99Å; I196-I227 HydrophobicContact CG2-CD1 4.39Å; I196-V230 HydrophobicContact CD1-CG1 4.16Å; I196-V230 HydrophobicContact CG1-CG1 4.26Å; I196-V230 HydrophobicContact CG2-CG1 4.15Å; I196-M231 HydrophobicContact CD1-SD 3.73Å; I196-T234 HydrophobicContact CD1-CG2 4.36Å; I196-I279 HydrophobicContact CG2-CD1 4.03Å
197	G	98.9	Very high	98.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	106.4	1.7	173.4	0	0	0	0	0	115.7	D143 R199 F217 M219	D143-G197 CarbonylContact O-C 3.59Å; D143-G197 WeakPolarHBondContact O-CA 3.49Å; G197-R199 PolarHBondContact O-N 3.46Å; G197-R199 PolarHBondContact O-NH1 3.4Å; G197-R199 VanDerWaalsContact O-NH1 3.11Å; G197-F217 PolarHBondContact N-O 3.27Å; G197-M219 WeakPolarHBondContact O-CG 3.48Å
198	L	98.9	Very high	98.6	Very high	5 Å²	5	35.9 Å²	35.9	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	131.2	-176.3	-60.6	-171.4	0	0	0	112	D143 A144 H145 A146 Y195 V201 L209 Y216 S218 M219	D143-L198 PolarHBondContact O-N 3.16Å; A144-L198 WeakPolarHBondContact O-CA 3.5Å; H145-L198 VanDerWaalsContact C-CD2 3.47Å; H145-L198 WeakPolarHBondContact O-CD2 3.45Å; A146-L198 HydrophobicContact CB-CD2 4.44Å; Y195-L198 HydrophobicContact CD1-CD2 3.96Å; Y195-L198 HydrophobicContact CG-CD1 4.15Å; Y195-L198 HydrophobicContact CG-CD2 4.28Å; Y195-L198 HydrophobicContact CG-CG 4.42Å; L198-V201 HydrophobicContact CB-CG2 3.99Å; L198-V201 HydrophobicContact CD1-CG2 4.17Å; L198-V201 HydrophobicContact CD2-CG2 4.49Å; L198-V201 HydrophobicContact CG-CG2 4.46Å; L198-L209 HydrophobicContact CD1-CD1 3.87Å; L198-Y216 HydrophobicContact CD1-CD2 4.05Å; L198-Y216 HydrophobicContact CD1-CG 4.02Å; L198-S218 CarbonylContact O-C 3.5Å; L198-S218 VanDerWaalsContact O-CA 3.27Å; L198-S218 WeakPolarHBondContact O-CA 3.32Å; L198-S218 VanDerWaalsContact O-CB 3.29Å; L198-S218 WeakPolarHBondContact O-CB 3.29Å; L198-M219 PolarHBondContact O-N 3.41Å
199	R	98.8	Very high	98.6	Very high	52 Å²	52	36 Å²	36	20%	0.196	20%	0.197	C	C	.	.			trans	-156.3	-6.3	177.8	59.3	-178.5	-179	-75.7	3.4	115.1	A144 G197 M219 D253 A254 F255 V267	A144-R199 HydrophobicContact CB-CG 4.05Å; A144-R199 PolarHBondContact O-N 2.97Å; G197-R199 PolarHBondContact O-N 3.46Å; G197-R199 PolarHBondContact O-NH1 3.4Å; G197-R199 VanDerWaalsContact O-NH1 3.11Å; R199-M219 HydrophobicContact CB-CB 4.45Å; R199-M219 HydrophobicContact CB-CG 3.98Å; R199-M219 HydrophobicContact CG-CG 4.26Å; R199-D253 PolarHBondContact NH2-O 3.32Å; R199-A254 PolarHBondContact NH1-O 2.72Å; R199-A254 PolarHBondContact NH2-O 3.35Å; R199-F255 PolarHBondContact NH2-O 3.11Å; R199-F255 VanDerWaalsContact NH2-O 3.15Å; R199-V267 HydrophobicContact CG-CB 4.27Å; R199-V267 HydrophobicContact CG-CG1 3.79Å; R199-V267 PolarHBondContact NE-O 2.94Å; R199-V267 PolarHBondContact NH2-O 2.73Å
200	D	98.7	Very high	98.7	Very high	82 Å²	82	40.3 Å²	40.3	44%	0.439	21%	0.213	S	C	.	.			trans	-135.3	98.9	167.8	-166.4	17.7	0	0	0	108.9	A144 H145 V267	A144-D200 PolarHBondContact O-N 3.02Å; H145-D200 WeakPolarHBondContact CA-O 3.41Å; H145-D200 IonicContact NE2-OD2 2.81Å; D200-V267 HydrophobicContact CB-CG1 4.17Å; D200-V267 HydrophobicContact CB-CG2 3.82Å
201	V	98.8	Very high	98.7	Very high	42 Å²	42	44 Å²	44	26%	0.255	23%	0.232	S	C	.	.			trans	-129.4	121.7	-171	-178.5	0	0	0	0	108.3	A146 L198 E205 H206 L209	A146-V201 HydrophobicContact CB-CG1 4.14Å; A146-V201 HydrophobicContact CB-CG2 4.5Å; L198-V201 HydrophobicContact CB-CG2 3.99Å; L198-V201 HydrophobicContact CD1-CG2 4.17Å; L198-V201 HydrophobicContact CD2-CG2 4.49Å; L198-V201 HydrophobicContact CG-CG2 4.46Å; V201-E205 HydrophobicContact CG1-CB 3.71Å; V201-H206 HydrophobicContact CG1-CB 4.05Å; V201-L209 HydrophobicContact CG1-CD1 4.14Å
202	D	98.8	Very high	98.8	Very high	55 Å²	55	42.3 Å²	42.3	29%	0.294	22%	0.215	S	C	.	.			trans	-63.4	148.7	-179.9	-79	-28.9	0	0	0	110.8	N149 P204 E205 H206	N149-D202 PolarHBondContact ND2-OD2 3.37Å; D202-P204 HydrophobicContact CB-CG 4.06Å; D202-E205 HydrophobicContact CB-CB 4.33Å; D202-E205 HydrophobicContact CB-CG 3.98Å; D202-E205 PolarHBondContact N-OE2 3.29Å; D202-E205 WeakPolarHBondContact O-CA 3.48Å; D202-E205 WeakPolarHBondContact O-CB 3.47Å; D202-E205 PolarHBondContact O-N 2.96Å; D202-H206 PolarHBondContact O-N 3.4Å
203	P	98.8	Very high	98.8	Very high	107 Å²	107	47.1 Å²	47.1	70%	0.695	24%	0.24	S	C	*	.	H	α-helix	trans	-49.5	-46	175.1	-26.9	33.8	0	0	0	115.4	H206 F207	P203-H206 PolarHBondContact O-N 2.87Å; P203-F207 PolarHBondContact O-N 3.11Å
204	P	98.8	Very high	98.8	Very high	40 Å²	40	47.2 Å²	47.2	26%	0.26	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-35.4	173.5	23.4	-35.8	0	0	0	113.9	T153 D202 F207 I208	T153-P204 HydrophobicContact CG2-CB 3.86Å; D202-P204 HydrophobicContact CB-CG 4.06Å; P204-F207 WeakPolarHBondContact O-CB 3.5Å; P204-F207 PolarHBondContact O-N 2.95Å; P204-I208 WeakPolarHBondContact O-CG1 3.42Å; P204-I208 PolarHBondContact O-N 2.67Å
205	E	98.9	Very high	98.8	Very high	7 Å²	7	50 Å²	50	3%	0.033	25%	0.253	C	S	.	.	H	α-helix	trans	-67.3	-45.4	176.5	-65.5	-176	126.3	0	0	110.9	A146 D147 I148 N149 V201 D202 F207 I208 L209	A146-E205 HydrophobicContact CB-CB 4.14Å; D147-E205 PolarHBondContact N-OE1 3.2Å; I148-E205 HydrophobicContact CG2-CB 3.84Å; I148-E205 HydrophobicContact CG2-CG 3.85Å; I148-E205 PolarHBondContact N-OE1 2.86Å; N149-E205 HydrophobicContact CB-CG 4.35Å; N149-E205 PolarHBondContact N-OE1 3.36Å; N149-E205 VanDerWaalsContact N-OE1 3.15Å; N149-E205 WeakPolarHBondContact ND2-CG 3.41Å; N149-E205 PolarHBondContact ND2-OE1 3.3Å; V201-E205 HydrophobicContact CG1-CB 3.71Å; D202-E205 HydrophobicContact CB-CB 4.33Å; D202-E205 HydrophobicContact CB-CG 3.98Å; D202-E205 PolarHBondContact N-OE2 3.29Å; D202-E205 WeakPolarHBondContact O-CA 3.48Å; D202-E205 WeakPolarHBondContact O-CB 3.47Å; D202-E205 PolarHBondContact O-N 2.96Å; E205-F207 VanDerWaalsContact C-N 3.25Å; E205-F207 PolarHBondContact O-N 3.28Å; E205-I208 WeakPolarHBondContact O-CA 3.44Å; E205-I208 WeakPolarHBondContact O-CB 3.4Å; E205-I208 PolarHBondContact O-N 3.45Å; E205-L209 WeakPolarHBondContact O-CG 3.28Å; E205-L209 PolarHBondContact O-N 2.88Å
206	H	98.9	Very high	98.8	Very high	88 Å²	88	52.5 Å²	52.5	41%	0.407	26%	0.263	S	S	.	.	H	α-helix	trans	-59.2	-39	174.2	-179.7	-90.9	0	0	0	111.6	V201 D202 P203 L209 K210	V201-H206 HydrophobicContact CG1-CB 4.05Å; D202-H206 PolarHBondContact O-N 3.4Å; P203-H206 PolarHBondContact O-N 2.87Å; H206-L209 PolarHBondContact O-N 3.15Å; H206-K210 WeakPolarHBondContact O-CG 3.28Å; H206-K210 PolarHBondContact O-N 2.89Å; H206-K210 VanDerWaalsContact O-N 3.08Å
207	F	98.8	Very high	98.8	Very high	130 Å²	130	53.1 Å²	53.1	57%	0.57	27%	0.266	S	S	*	.	H	α-helix	trans	-60	-46.1	172.1	175.9	-91.1	0	0	0	111.7	P203 P204 E205 K210 N211	P203-F207 PolarHBondContact O-N 3.11Å; P204-F207 WeakPolarHBondContact O-CB 3.5Å; P204-F207 PolarHBondContact O-N 2.95Å; E205-F207 VanDerWaalsContact C-N 3.25Å; E205-F207 PolarHBondContact O-N 3.28Å; F207-K210 PolarHBondContact O-N 3.29Å; F207-N211 HydrophobicContact CD1-CB 4.37Å; F207-N211 HydrophobicContact CE1-CB 3.99Å; F207-N211 HydrophobicContact CZ-CB 4.08Å; F207-N211 WeakPolarHBondContact O-CB 3.43Å; F207-N211 PolarHBondContact O-N 3.46Å
208	I	98.8	Very high	98.8	Very high	10 Å²	10	54.2 Å²	54.2	5%	0.051	27%	0.273	C	S	.	.	H	α-helix	trans	-59.1	-50.8	176.5	-71.5	165.4	0	0	0	110.5	I148 T150 L171 P204 E205 K210 N211 Y212 I214	I148-I208 HydrophobicContact CD1-CG2 3.7Å; I148-I208 HydrophobicContact CG1-CG2 3.99Å; I148-I208 HydrophobicContact CG2-CB 4.49Å; I148-I208 HydrophobicContact CG2-CG2 4.19Å; I148-I208 WeakPolarHBondContact O-CD1 3.04Å; T150-I208 HydrophobicContact CG2-CD1 4.35Å; L171-I208 HydrophobicContact CD1-CG2 3.99Å; L171-I208 HydrophobicContact CD2-CG1 4.35Å; L171-I208 HydrophobicContact CD2-CG2 4.12Å; P204-I208 WeakPolarHBondContact O-CG1 3.42Å; P204-I208 PolarHBondContact O-N 2.67Å; E205-I208 WeakPolarHBondContact O-CA 3.44Å; E205-I208 WeakPolarHBondContact O-CB 3.4Å; E205-I208 PolarHBondContact O-N 3.45Å; I208-K210 VanDerWaalsContact C-N 3.27Å; I208-K210 PolarHBondContact O-N 3.24Å; I208-N211 PolarHBondContact O-N 2.98Å; I208-Y212 HydrophobicContact CB-CD2 4.4Å; I208-Y212 HydrophobicContact CG2-CD2 3.92Å; I208-Y212 HydrophobicContact CG2-CE2 4.39Å; I208-Y212 VanDerWaalsContact O-CD2 3.29Å; I208-Y212 WeakPolarHBondContact O-CD2 3.47Å; I208-Y212 PolarHBondContact O-N 3.09Å; I208-I214 HydrophobicContact CG2-CD1 4.12Å
209	L	98.8	Very high	98.8	Very high	3 Å²	3	54.9 Å²	54.9	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-54.3	-45.1	179.8	-67.2	175.3	0	0	0	111.6	A146 Y195 L198 V201 E205 H206 D213 I214 Y216	A146-L209 HydrophobicContact CB-CD1 4.25Å; Y195-L209 HydrophobicContact CD2-CD2 3.96Å; Y195-L209 HydrophobicContact CE2-CD2 3.51Å; L198-L209 HydrophobicContact CD1-CD1 3.87Å; V201-L209 HydrophobicContact CG1-CD1 4.14Å; E205-L209 WeakPolarHBondContact O-CG 3.28Å; E205-L209 PolarHBondContact O-N 2.88Å; H206-L209 PolarHBondContact O-N 3.15Å; L209-D213 PolarHBondContact O-N 3.25Å; L209-I214 HydrophobicContact CD2-CB 3.95Å; L209-I214 HydrophobicContact CD2-CD1 4.28Å; L209-I214 HydrophobicContact CD2-CG2 4.03Å; L209-I214 PolarHBondContact O-N 3.35Å; L209-Y216 HydrophobicContact CB-CD1 4.31Å; L209-Y216 HydrophobicContact CB-CE1 4.3Å; L209-Y216 HydrophobicContact CD1-CD1 4.24Å; L209-Y216 HydrophobicContact CD1-CE1 4.5Å
210	K	98.7	Very high	98.8	Very high	117 Å²	117	61.9 Å²	61.9	51%	0.509	30%	0.303	S	S	.	.	H	α-helix	trans	-73.1	-44.2	179	-66.7	-58.1	-178.5	-169.8	0	113.7	H206 F207 I208 Y212 D213 Y216	H206-K210 WeakPolarHBondContact O-CG 3.28Å; H206-K210 PolarHBondContact O-N 2.89Å; H206-K210 VanDerWaalsContact O-N 3.08Å; F207-K210 PolarHBondContact O-N 3.29Å; I208-K210 VanDerWaalsContact C-N 3.27Å; I208-K210 PolarHBondContact O-N 3.24Å; K210-Y212 VanDerWaalsContact C-N 3.34Å; K210-Y212 PolarHBondContact O-N 3Å; K210-D213 PolarHBondContact O-N 3.27Å; K210-Y216 WeakPolarHBondContact CE-OH 3.24Å; K210-Y216 PolarHBondContact NZ-OH 2.79Å
211	N	98.6	Very high	98.8	Very high	90 Å²	90	59.2 Å²	59.2	48%	0.481	29%	0.289	S	S	.	.	H	α-helix	trans	-69.6	-32.5	-174.2	-176.4	83.5	0	0	0	112.5	F207 I208	F207-N211 HydrophobicContact CD1-CB 4.37Å; F207-N211 HydrophobicContact CE1-CB 3.99Å; F207-N211 HydrophobicContact CZ-CB 4.08Å; F207-N211 WeakPolarHBondContact O-CB 3.43Å; F207-N211 PolarHBondContact O-N 3.46Å; I208-N211 PolarHBondContact O-N 2.98Å
212	Y	98.4	Very high	98.8	Very high	43 Å²	43	57.4 Å²	57.4	17%	0.169	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	9.1	-179.2	-62.5	-79.4	0	0	0	113.7	E170 L171 S190 I208 K210 I214	E170-Y212 HydrophobicContact CB-CD1 3.68Å; E170-Y212 HydrophobicContact CB-CE1 3.96Å; E170-Y212 VanDerWaalsContact O-CE1 3.31Å; E170-Y212 WeakPolarHBondContact O-CE1 3.43Å; L171-Y212 HydrophobicContact CD2-CD2 3.9Å; L171-Y212 HydrophobicContact CD2-CE1 4.44Å; L171-Y212 HydrophobicContact CD2-CE2 3.31Å; L171-Y212 HydrophobicContact CG-CE2 4.41Å; S190-Y212 VanDerWaalsContact CB-O 3.23Å; S190-Y212 WeakPolarHBondContact CB-O 3.48Å; S190-Y212 PolarHBondContact OG-O 2.65Å; I208-Y212 HydrophobicContact CB-CD2 4.4Å; I208-Y212 HydrophobicContact CG2-CD2 3.92Å; I208-Y212 HydrophobicContact CG2-CE2 4.39Å; I208-Y212 VanDerWaalsContact O-CD2 3.29Å; I208-Y212 WeakPolarHBondContact O-CD2 3.47Å; I208-Y212 PolarHBondContact O-N 3.09Å; K210-Y212 VanDerWaalsContact C-N 3.34Å; K210-Y212 PolarHBondContact O-N 3Å; Y212-I214 PolarHBondContact O-N 3.29Å
213	D	98.3	Very high	98.8	Very high	117 Å²	117	61.1 Å²	61.1	63%	0.626	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	41.6	180	-164.2	32	0	0	0	112.9	L209 K210 Q215	L209-D213 PolarHBondContact O-N 3.25Å; K210-D213 PolarHBondContact O-N 3.27Å; D213-Q215 PolarHBondContact O-NE2 2.92Å; D213-Q215 PolarHBondContact OD1-NE2 3.46Å
214	I	98.8	Very high	98.8	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.015	30%	0.296	C	S	.	.			trans	-76.4	127.1	175.3	-57.9	163.8	0	0	0	107.8	I148 I193 Y195 I208 L209 Y212	I148-I214 HydrophobicContact CD1-CD1 3.53Å; I193-I214 HydrophobicContact CB-CG2 4.31Å; I193-I214 HydrophobicContact CG2-CG2 4.44Å; Y195-I214 HydrophobicContact CD2-CG2 3.94Å; Y195-I214 HydrophobicContact CE2-CG2 3.62Å; I208-I214 HydrophobicContact CG2-CD1 4.12Å; L209-I214 HydrophobicContact CD2-CB 3.95Å; L209-I214 HydrophobicContact CD2-CD1 4.28Å; L209-I214 HydrophobicContact CD2-CG2 4.03Å; L209-I214 PolarHBondContact O-N 3.35Å; Y212-I214 PolarHBondContact O-N 3.29Å
215	Q	98.8	Very high	98.8	Very high	58 Å²	58	65.3 Å²	65.3	27%	0.271	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	138.9	-174.4	-56.2	-57	-60.7	0	0	110.4	V194 Y195 D213 L237	V194-Q215 WeakPolarHBondContact CA-O 3.35Å; V194-Q215 HydrophobicContact CG2-CB 4.13Å; Y195-Q215 PolarHBondContact N-O 2.88Å; Y195-Q215 VanDerWaalsContact N-O 3.09Å; D213-Q215 PolarHBondContact O-NE2 2.92Å; D213-Q215 PolarHBondContact OD1-NE2 3.46Å; Q215-L237 HydrophobicContact CB-CD1 3.95Å; Q215-L237 HydrophobicContact CG-CD1 4.02Å; Q215-L237 HydrophobicContact CG-CD2 4.26Å
216	Y	98.9	Very high	98.8	Very high	54 Å²	54	66.5 Å²	66.5	21%	0.212	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	151.6	179.9	67	-91.3	0	0	0	111.4	Y195 L198 L209 K210	Y195-Y216 CarbonylContact O-C 3.52Å; Y195-Y216 WeakPolarHBondContact O-CA 3.33Å; L198-Y216 HydrophobicContact CD1-CD2 4.05Å; L198-Y216 HydrophobicContact CD1-CG 4.02Å; L209-Y216 HydrophobicContact CB-CD1 4.31Å; L209-Y216 HydrophobicContact CB-CE1 4.3Å; L209-Y216 HydrophobicContact CD1-CD1 4.24Å; L209-Y216 HydrophobicContact CD1-CE1 4.5Å; K210-Y216 WeakPolarHBondContact CE-OH 3.24Å; K210-Y216 PolarHBondContact NZ-OH 2.79Å
217	F	98.9	Very high	98.8	Very high	13 Å²	13	63.3 Å²	63.3	6%	0.057	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	100.9	169.8	-62.7	-81.5	0	0	0	108.3	V194 Y195 I196 G197 D221 L225 V230 Q233 T234 L237	V194-F217 HydrophobicContact CG1-CD2 3.8Å; V194-F217 HydrophobicContact CG1-CE2 3.8Å; Y195-F217 PolarHBondContact O-N 3.17Å; I196-F217 WeakPolarHBondContact CA-O 3.24Å; I196-F217 HydrophobicContact CG1-CD2 4.43Å; G197-F217 PolarHBondContact N-O 3.27Å; F217-D221 HydrophobicContact CB-CB 4.28Å; F217-D221 HydrophobicContact CD1-CB 4.19Å; F217-L225 HydrophobicContact CD1-CD1 4.19Å; F217-L225 HydrophobicContact CE1-CD1 4.13Å; F217-V230 HydrophobicContact CB-CG1 3.77Å; F217-V230 HydrophobicContact CB-CG2 4.28Å; F217-V230 HydrophobicContact CD1-CB 4.46Å; F217-V230 HydrophobicContact CD1-CG1 4.18Å; F217-V230 HydrophobicContact CD1-CG2 3.96Å; F217-V230 HydrophobicContact CD2-CG1 3.81Å; F217-V230 HydrophobicContact CE2-CG1 4.46Å; F217-V230 HydrophobicContact CG-CB 4.4Å; F217-V230 HydrophobicContact CG-CG1 3.64Å; F217-V230 HydrophobicContact CG-CG2 4.18Å; F217-Q233 HydrophobicContact CE1-CB 4.24Å; F217-Q233 HydrophobicContact CE2-CB 4.48Å; F217-Q233 HydrophobicContact CZ-CB 3.62Å; F217-T234 WeakPolarHBondContact CE2-OG1 3.31Å; F217-L237 HydrophobicContact CE2-CD1 4.41Å; F217-L237 HydrophobicContact CZ-CD1 4.4Å
218	S	98.9	Very high	98.8	Very high	23 Å²	23	62.4 Å²	62.4	16%	0.161	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	168.4	174.2	67.4	0	0	0	0	110.9	L198 R220 D221 I222	L198-S218 CarbonylContact O-C 3.5Å; L198-S218 VanDerWaalsContact O-CA 3.27Å; L198-S218 WeakPolarHBondContact O-CA 3.32Å; L198-S218 VanDerWaalsContact O-CB 3.29Å; L198-S218 WeakPolarHBondContact O-CB 3.29Å; S218-R220 PolarHBondContact O-N 3.27Å; S218-R220 VanDerWaalsContact O-N 3.16Å; S218-R220 PolarHBondContact OG-N 2.75Å; S218-D221 PolarHBondContact N-OD2 2.87Å; S218-D221 WeakPolarHBondContact O-CA 3.38Å; S218-D221 WeakPolarHBondContact O-CB 3.18Å; S218-D221 PolarHBondContact O-N 3.23Å; S218-D221 PolarHBondContact OG-N 2.95Å; S218-D221 PolarHBondContact OG-OD2 2.85Å; S218-I222 PolarHBondContact O-N 3.41Å
219	M	98.9	Very high	98.8	Very high	19 Å²	19	66.1 Å²	66.1	9%	0.094	31%	0.311	C	S	.	.	H	α-helix	trans	-55	-34.3	172.3	-70	-53.6	-57.7	0	0	112.6	G197 L198 R199 D221 I222 D223 G269 G270 L271	G197-M219 WeakPolarHBondContact O-CG 3.48Å; L198-M219 PolarHBondContact O-N 3.41Å; R199-M219 HydrophobicContact CB-CB 4.45Å; R199-M219 HydrophobicContact CB-CG 3.98Å; R199-M219 HydrophobicContact CG-CG 4.26Å; M219-D221 VanDerWaalsContact C-N 3.3Å; M219-D221 PolarHBondContact O-N 3.32Å; M219-I222 HydrophobicContact CE-CD1 4.41Å; M219-I222 WeakPolarHBondContact O-CB 3.31Å; M219-I222 PolarHBondContact O-N 2.9Å; M219-I222 HydrophobicContact SD-CD1 3.72Å; M219-D223 VanDerWaalsContact O-CG 3.26Å; M219-D223 PolarHBondContact O-N 3.22Å; M219-G269 WeakPolarHBondContact CE-O 3.45Å; M219-G269 WeakPolarHBondContact CG-O 3.28Å; M219-G270 WeakPolarHBondContact CE-O 3.24Å; M219-L271 HydrophobicContact CE-CD2 4.19Å; M219-L271 HydrophobicContact SD-CD2 3.87Å; M219-L271 HydrophobicContact SD-CG 4.23Å
220	R	98.9	Very high	98.8	Very high	199 Å²	199	66 Å²	66	75%	0.751	31%	0.31	S	S	*	.	H	α-helix	trans	-63.6	-34	174.1	178.6	-179.8	173.4	82.9	1	113	S218 R224	S218-R220 PolarHBondContact O-N 3.27Å; S218-R220 VanDerWaalsContact O-N 3.16Å; S218-R220 PolarHBondContact OG-N 2.75Å; R220-R224 WeakPolarHBondContact O-CB 3.21Å; R220-R224 PolarHBondContact O-N 3.12Å
221	D	98.9	Very high	98.8	Very high	26 Å²	26	60.4 Å²	60.4	14%	0.139	29%	0.286	C	S	.	.	H	α-helix	trans	-73.3	-38.4	176.5	-63.8	-64.1	0	0	0	111.1	F217 S218 M219 R224 L225	F217-D221 HydrophobicContact CB-CB 4.28Å; F217-D221 HydrophobicContact CD1-CB 4.19Å; S218-D221 PolarHBondContact N-OD2 2.87Å; S218-D221 WeakPolarHBondContact O-CA 3.38Å; S218-D221 WeakPolarHBondContact O-CB 3.18Å; S218-D221 PolarHBondContact O-N 3.23Å; S218-D221 PolarHBondContact OG-N 2.95Å; S218-D221 PolarHBondContact OG-OD2 2.85Å; M219-D221 VanDerWaalsContact C-N 3.3Å; M219-D221 PolarHBondContact O-N 3.32Å; D221-R224 PolarHBondContact O-N 3.24Å; D221-R224 IonicContact OD1-CZ 3.61Å; D221-R224 IonicContact OD1-NH2 3.3Å; D221-R224 PolarHBondContact OD1-NH2 3.07Å; D221-L225 VanDerWaalsContact O-CB 3.25Å; D221-L225 WeakPolarHBondContact O-CB 3.39Å; D221-L225 WeakPolarHBondContact O-CG 3.31Å; D221-L225 PolarHBondContact O-N 2.99Å
222	I	98.9	Very high	98.8	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-61.9	-46.1	173.3	-63.7	160.2	0	0	0	110.3	I196 S218 M219 R224 L225 G226 I227 V230 L271	I196-I222 HydrophobicContact CG2-CD1 3.99Å; S218-I222 PolarHBondContact O-N 3.41Å; M219-I222 HydrophobicContact CE-CD1 4.41Å; M219-I222 WeakPolarHBondContact O-CB 3.31Å; M219-I222 PolarHBondContact O-N 2.9Å; M219-I222 HydrophobicContact SD-CD1 3.72Å; I222-R224 PolarHBondContact O-N 2.76Å; I222-L225 PolarHBondContact O-N 3.2Å; I222-G226 VanDerWaalsContact O-CA 3.28Å; I222-G226 WeakPolarHBondContact O-CA 3.17Å; I222-G226 PolarHBondContact O-N 3.05Å; I222-I227 HydrophobicContact CG1-CD1 4.39Å; I222-I227 HydrophobicContact CG2-CD1 4.36Å; I222-V230 HydrophobicContact CG1-CG2 4.04Å; I222-L271 HydrophobicContact CD1-CD2 3.73Å
223	D	98.8	Very high	98.8	Very high	133 Å²	133	60.5 Å²	60.5	71%	0.711	29%	0.286	S	S	*	.	H	α-helix	trans	-55.8	-39.7	175	-70.9	-26.2	0	0	0	112.2	M219	M219-D223 VanDerWaalsContact O-CG 3.26Å; M219-D223 PolarHBondContact O-N 3.22Å
224	R	98.8	Very high	98.8	Very high	178 Å²	178	55 Å²	55	67%	0.672	26%	0.256	S	S	*	.	H	α-helix	trans	-78.9	-42.3	-176.2	179	176.3	58.4	162.8	-4.5	112.9	R220 D221 I222	R220-R224 WeakPolarHBondContact O-CB 3.21Å; R220-R224 PolarHBondContact O-N 3.12Å; D221-R224 PolarHBondContact O-N 3.24Å; D221-R224 IonicContact OD1-CZ 3.61Å; D221-R224 IonicContact OD1-NH2 3.3Å; D221-R224 PolarHBondContact OD1-NH2 3.07Å; I222-R224 PolarHBondContact O-N 2.76Å
225	L	98.8	Very high	98.8	Very high	57 Å²	57	56.1 Å²	56.1	30%	0.298	26%	0.261	S	S	.	.	H	α-helix	trans	-98.4	-25.7	-168.8	-63.7	175.2	0	0	0	112.6	F217 D221 I222 K229 V230	F217-L225 HydrophobicContact CD1-CD1 4.19Å; F217-L225 HydrophobicContact CE1-CD1 4.13Å; D221-L225 VanDerWaalsContact O-CB 3.25Å; D221-L225 WeakPolarHBondContact O-CB 3.39Å; D221-L225 WeakPolarHBondContact O-CG 3.31Å; D221-L225 PolarHBondContact O-N 2.99Å; I222-L225 PolarHBondContact O-N 3.2Å; L225-K229 HydrophobicContact CB-CB 4.17Å; L225-K229 HydrophobicContact CB-CG 4.48Å; L225-K229 WeakPolarHBondContact O-CB 3.26Å; L225-V230 HydrophobicContact CB-CG2 4.19Å; L225-V230 HydrophobicContact CD1-CG2 4.28Å
226	G	98.8	Very high	98.8	Very high	32 Å²	32	58.7 Å²	58.7	33%	0.33	28%	0.276	S	S	.	.			trans	73.4	148.5	-163.6	0	0	0	0	0	112.1	I222 Q228 K229 V230	I222-G226 VanDerWaalsContact O-CA 3.28Å; I222-G226 WeakPolarHBondContact O-CA 3.17Å; I222-G226 PolarHBondContact O-N 3.05Å; G226-Q228 PolarHBondContact O-N 3.18Å; G226-K229 PolarHBondContact O-N 3.21Å; G226-K229 VanDerWaalsContact O-N 3.08Å; G226-V230 PolarHBondContact O-N 3.18Å
227	I	98.8	Very high	98.8	Very high	21 Å²	21	59.9 Å²	59.9	11%	0.108	29%	0.286	C	S	.	.	H	α-helix	trans	-60.7	-30.7	-173.5	-164	62.7	0	0	0	113.8	I196 I222 K229 V230 M231 E275 Y278 I279	I196-I227 HydrophobicContact CG2-CD1 4.39Å; I222-I227 HydrophobicContact CG1-CD1 4.39Å; I222-I227 HydrophobicContact CG2-CD1 4.36Å; I227-K229 PolarHBondContact O-N 3.15Å; I227-V230 HydrophobicContact CD1-CB 4.35Å; I227-V230 HydrophobicContact CD1-CG1 4.29Å; I227-V230 PolarHBondContact O-N 3.12Å; I227-M231 WeakPolarHBondContact O-CG 3.44Å; I227-M231 PolarHBondContact O-N 2.85Å; I227-E275 HydrophobicContact CB-CB 4.39Å; I227-E275 HydrophobicContact CB-CG 3.99Å; I227-E275 HydrophobicContact CG1-CB 4.14Å; I227-E275 HydrophobicContact CG1-CG 4.3Å; I227-E275 HydrophobicContact CG2-CG 3.99Å; I227-Y278 HydrophobicContact CB-CD1 4.44Å; I227-Y278 HydrophobicContact CG1-CD1 4.09Å; I227-Y278 HydrophobicContact CG2-CD1 3.69Å; I227-Y278 HydrophobicContact CG2-CE1 4.27Å; I227-Y278 HydrophobicContact CG2-CG 3.97Å; I227-I279 HydrophobicContact CD1-CD1 3.93Å; I227-I279 HydrophobicContact CD1-CG1 3.78Å; I227-I279 HydrophobicContact CG1-CD1 4.49Å; I227-I279 HydrophobicContact CG1-CG1 3.94Å
228	Q	98.8	Very high	98.8	Very high	112 Å²	112	59.4 Å²	59.4	52%	0.523	28%	0.284	S	S	.	.	H	α-helix	trans	-55.9	-51.7	173.7	172.7	174.7	2.4	0	0	111.5	G226 V230 M231 E232 Y278	G226-Q228 PolarHBondContact O-N 3.18Å; Q228-V230 VanDerWaalsContact C-N 3.29Å; Q228-V230 PolarHBondContact O-N 2.86Å; Q228-M231 PolarHBondContact O-N 2.86Å; Q228-E232 WeakPolarHBondContact CG-OE1 3.41Å; Q228-E232 PolarHBondContact NE2-OE1 3.28Å; Q228-E232 WeakPolarHBondContact O-CG 3.49Å; Q228-E232 PolarHBondContact O-N 3.39Å; Q228-Y278 HydrophobicContact CB-CE1 4.15Å; Q228-Y278 WeakPolarHBondContact CB-OH 3.34Å; Q228-Y278 VanDerWaalsContact CG-OH 3.32Å; Q228-Y278 WeakPolarHBondContact CG-OH 3.41Å
229	K	98.9	Very high	98.8	Very high	87 Å²	87	59.7 Å²	59.7	38%	0.378	28%	0.283	S	S	.	.	H	α-helix	trans	-71.4	-30	-175	-169.5	59.4	179.2	177.7	0	112	L225 G226 I227 E232 Q233	L225-K229 HydrophobicContact CB-CB 4.17Å; L225-K229 HydrophobicContact CB-CG 4.48Å; L225-K229 WeakPolarHBondContact O-CB 3.26Å; G226-K229 PolarHBondContact O-N 3.21Å; G226-K229 VanDerWaalsContact O-N 3.08Å; I227-K229 PolarHBondContact O-N 3.15Å; K229-E232 HydrophobicContact CD-CB 4.45Å; K229-E232 WeakPolarHBondContact CD-OE2 3.5Å; K229-E232 IonicContact NZ-OE2 3.94Å; K229-E232 PolarHBondContact NZ-OE2 3.47Å; K229-Q233 WeakPolarHBondContact O-CG 3Å; K229-Q233 PolarHBondContact O-N 3.15Å
230	V	98.9	Very high	98.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.6	-47.1	171	168.3	0	0	0	0	110.9	I196 F217 I222 L225 G226 I227 Q228 Q233 T234	I196-V230 HydrophobicContact CD1-CG1 4.16Å; I196-V230 HydrophobicContact CG1-CG1 4.26Å; I196-V230 HydrophobicContact CG2-CG1 4.15Å; F217-V230 HydrophobicContact CB-CG1 3.77Å; F217-V230 HydrophobicContact CB-CG2 4.28Å; F217-V230 HydrophobicContact CD1-CB 4.46Å; F217-V230 HydrophobicContact CD1-CG1 4.18Å; F217-V230 HydrophobicContact CD1-CG2 3.96Å; F217-V230 HydrophobicContact CD2-CG1 3.81Å; F217-V230 HydrophobicContact CE2-CG1 4.46Å; F217-V230 HydrophobicContact CG-CB 4.4Å; F217-V230 HydrophobicContact CG-CG1 3.64Å; F217-V230 HydrophobicContact CG-CG2 4.18Å; I222-V230 HydrophobicContact CG1-CG2 4.04Å; L225-V230 HydrophobicContact CB-CG2 4.19Å; L225-V230 HydrophobicContact CD1-CG2 4.28Å; G226-V230 PolarHBondContact O-N 3.18Å; I227-V230 HydrophobicContact CD1-CB 4.35Å; I227-V230 HydrophobicContact CD1-CG1 4.29Å; I227-V230 PolarHBondContact O-N 3.12Å; Q228-V230 VanDerWaalsContact C-N 3.29Å; Q228-V230 PolarHBondContact O-N 2.86Å; V230-Q233 PolarHBondContact O-N 2.97Å; V230-T234 WeakPolarHBondContact O-CB 3.28Å; V230-T234 PolarHBondContact O-N 3.24Å; V230-T234 PolarHBondContact O-OG1 2.99Å
231	M	98.9	Very high	98.5	Very high	1 Å²	1	62 Å²	62	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-66.3	-42.7	178.7	-66.7	-49.4	-61.7	0	0	112.4	I196 I227 Q228 Q233 T234 F235 Y278 I279 E282 I283	I196-M231 HydrophobicContact CD1-SD 3.73Å; I227-M231 WeakPolarHBondContact O-CG 3.44Å; I227-M231 PolarHBondContact O-N 2.85Å; Q228-M231 PolarHBondContact O-N 2.86Å; M231-Q233 PolarHBondContact O-N 3.09Å; M231-T234 WeakPolarHBondContact O-CB 3.42Å; M231-T234 PolarHBondContact O-N 3.19Å; M231-F235 HydrophobicContact CB-CE2 4.3Å; M231-F235 HydrophobicContact CE-CE1 3.98Å; M231-F235 HydrophobicContact CE-CE2 4.07Å; M231-F235 HydrophobicContact CE-CZ 3.47Å; M231-F235 VanDerWaalsContact CE-CZ 3.47Å; M231-F235 WeakPolarHBondContact O-CD2 3.44Å; M231-F235 WeakPolarHBondContact O-CG 3.39Å; M231-F235 PolarHBondContact O-N 3.12Å; M231-Y278 HydrophobicContact CB-CE1 4.34Å; M231-Y278 HydrophobicContact CG-CD1 4.11Å; M231-Y278 HydrophobicContact CG-CE1 4.01Å; M231-I279 HydrophobicContact CE-CG2 4.08Å; M231-I279 HydrophobicContact CG-CG1 4.49Å; M231-I279 HydrophobicContact SD-CB 4.08Å; M231-I279 HydrophobicContact SD-CG1 3.76Å; M231-I279 HydrophobicContact SD-CG2 3.96Å; M231-E282 HydrophobicContact CB-CB 4.29Å; M231-E282 HydrophobicContact CB-CG 4.24Å; M231-E282 HydrophobicContact CE-CB 4.15Å; M231-E282 HydrophobicContact CG-CB 4.25Å; M231-E282 HydrophobicContact CG-CG 4.26Å; M231-I283 HydrophobicContact CE-CD1 4.39Å; M231-I283 HydrophobicContact CE-CG1 3.95Å
232	E	98.8	Very high	98.4	Very high	72 Å²	72	67.2 Å²	67.2	34%	0.336	33%	0.331	S	S	.	.	H	α-helix	trans	-54.7	-51.7	174.2	-71.9	173.1	-166.8	0	0	111.3	Q228 K229 T234 F235 D236	Q228-E232 WeakPolarHBondContact CG-OE1 3.41Å; Q228-E232 PolarHBondContact NE2-OE1 3.28Å; Q228-E232 WeakPolarHBondContact O-CG 3.49Å; Q228-E232 PolarHBondContact O-N 3.39Å; K229-E232 HydrophobicContact CD-CB 4.45Å; K229-E232 WeakPolarHBondContact CD-OE2 3.5Å; K229-E232 IonicContact NZ-OE2 3.94Å; K229-E232 PolarHBondContact NZ-OE2 3.47Å; E232-T234 PolarHBondContact O-N 3.5Å; E232-F235 PolarHBondContact O-N 3.12Å; E232-D236 PolarHBondContact O-N 2.79Å
233	Q	98.9	Very high	98.3	Very high	63 Å²	63	74.5 Å²	74.5	29%	0.294	37%	0.365	S	S	.	.	H	α-helix	trans	-66.9	-36.9	179.9	-69.4	-177.1	35.1	0	0	112.5	F217 K229 V230 M231 F235 D236 L237	F217-Q233 HydrophobicContact CE1-CB 4.24Å; F217-Q233 HydrophobicContact CE2-CB 4.48Å; F217-Q233 HydrophobicContact CZ-CB 3.62Å; K229-Q233 WeakPolarHBondContact O-CG 3Å; K229-Q233 PolarHBondContact O-N 3.15Å; V230-Q233 PolarHBondContact O-N 2.97Å; M231-Q233 PolarHBondContact O-N 3.09Å; Q233-F235 VanDerWaalsContact C-N 3.31Å; Q233-F235 PolarHBondContact O-N 3.12Å; Q233-D236 PolarHBondContact O-N 3.36Å; Q233-L237 WeakPolarHBondContact O-CB 3.49Å; Q233-L237 VanDerWaalsContact O-CG 3.25Å; Q233-L237 WeakPolarHBondContact O-CG 3.13Å; Q233-L237 PolarHBondContact O-N 3.49Å
234	T	98.9	Very high	98.2	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-57.1	-46.5	175.2	-64.1	0	0	0	0	110.8	I140 V194 I196 F217 V230 M231 E232 L237 L238	I140-T234 HydrophobicContact CD1-CG2 3.89Å; I140-T234 HydrophobicContact CG1-CG2 4.02Å; V194-T234 HydrophobicContact CB-CG2 4.03Å; V194-T234 HydrophobicContact CG1-CG2 3.85Å; V194-T234 HydrophobicContact CG2-CG2 4.35Å; I196-T234 HydrophobicContact CD1-CG2 4.36Å; F217-T234 WeakPolarHBondContact CE2-OG1 3.31Å; V230-T234 WeakPolarHBondContact O-CB 3.28Å; V230-T234 PolarHBondContact O-N 3.24Å; V230-T234 PolarHBondContact O-OG1 2.99Å; M231-T234 WeakPolarHBondContact O-CB 3.42Å; M231-T234 PolarHBondContact O-N 3.19Å; E232-T234 PolarHBondContact O-N 3.5Å; T234-L237 PolarHBondContact O-N 3.19Å; T234-L238 HydrophobicContact CG2-CD1 4.08Å; T234-L238 WeakPolarHBondContact O-CG 3.48Å; T234-L238 PolarHBondContact O-N 3.25Å
235	F	98.8	Very high	98.2	Very high	28 Å²	28	61.6 Å²	61.6	12%	0.123	31%	0.309	C	S	.	.	H	α-helix	trans	-71.2	-38.1	178.8	-60.9	-40.5	0	0	0	112.9	I140 M231 E232 Q233 L237 L238 I239 G240 I246 E282 I283 T286	I140-F235 HydrophobicContact CD1-CE1 4.01Å; M231-F235 HydrophobicContact CB-CE2 4.3Å; M231-F235 HydrophobicContact CE-CE1 3.98Å; M231-F235 HydrophobicContact CE-CE2 4.07Å; M231-F235 HydrophobicContact CE-CZ 3.47Å; M231-F235 VanDerWaalsContact CE-CZ 3.47Å; M231-F235 WeakPolarHBondContact O-CD2 3.44Å; M231-F235 WeakPolarHBondContact O-CG 3.39Å; M231-F235 PolarHBondContact O-N 3.12Å; E232-F235 PolarHBondContact O-N 3.12Å; Q233-F235 VanDerWaalsContact C-N 3.31Å; Q233-F235 PolarHBondContact O-N 3.12Å; F235-L237 VanDerWaalsContact C-N 3.26Å; F235-L237 PolarHBondContact O-N 3.07Å; F235-L238 PolarHBondContact O-N 2.82Å; F235-I239 HydrophobicContact CB-CD1 4.07Å; F235-I239 HydrophobicContact CB-CG1 3.89Å; F235-I239 HydrophobicContact CD1-CD1 4.04Å; F235-I239 HydrophobicContact CD1-CG1 4.4Å; F235-I239 HydrophobicContact CG-CD1 4.24Å; F235-I239 HydrophobicContact CG-CG1 4.5Å; F235-I239 CarbonylContact O-C 3.48Å; F235-I239 WeakPolarHBondContact O-CA 3.4Å; F235-I239 WeakPolarHBondContact O-CG1 3.39Å; F235-I239 PolarHBondContact O-N 3.22Å; F235-G240 PolarHBondContact O-N 3.3Å; F235-I246 HydrophobicContact CE1-CD1 4.39Å; F235-E282 HydrophobicContact CE2-CB 3.94Å; F235-E282 HydrophobicContact CZ-CB 4.07Å; F235-I283 HydrophobicContact CE1-CG1 4.25Å; F235-I283 HydrophobicContact CZ-CG1 4.17Å; F235-T286 HydrophobicContact CD1-CG2 4.19Å; F235-T286 HydrophobicContact CE1-CG2 3.75Å; F235-T286 HydrophobicContact CE2-CG2 4.13Å; F235-T286 HydrophobicContact CZ-CG2 3.71Å
236	D	98.6	Very high	98.3	Very high	111 Å²	111	59 Å²	59	59%	0.594	30%	0.295	S	S	*	.	H	α-helix	trans	-57.2	-42.6	174.6	-76.4	-18.7	0	0	0	111.5	E232 Q233 G240	E232-D236 PolarHBondContact O-N 2.79Å; Q233-D236 PolarHBondContact O-N 3.36Å; D236-G240 WeakPolarHBondContact O-CA 3.44Å; D236-G240 PolarHBondContact O-N 2.81Å
237	L	98.6	Very high	98.3	Very high	79 Å²	79	57.4 Å²	57.4	41%	0.414	28%	0.279	S	S	.	.	H	α-helix	trans	-66.5	-48	177.3	-70.3	167.2	0	0	0	112.4	V194 Q215 F217 Q233 T234 F235	V194-L237 HydrophobicContact CG2-CB 4.3Å; V194-L237 HydrophobicContact CG2-CD1 4.22Å; Q215-L237 HydrophobicContact CB-CD1 3.95Å; Q215-L237 HydrophobicContact CG-CD1 4.02Å; Q215-L237 HydrophobicContact CG-CD2 4.26Å; F217-L237 HydrophobicContact CE2-CD1 4.41Å; F217-L237 HydrophobicContact CZ-CD1 4.4Å; Q233-L237 WeakPolarHBondContact O-CB 3.49Å; Q233-L237 VanDerWaalsContact O-CG 3.25Å; Q233-L237 WeakPolarHBondContact O-CG 3.13Å; Q233-L237 PolarHBondContact O-N 3.49Å; T234-L237 PolarHBondContact O-N 3.19Å; F235-L237 VanDerWaalsContact C-N 3.26Å; F235-L237 PolarHBondContact O-N 3.07Å
238	L	98.4	Very high	98.3	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.016	27%	0.274	C	S	.	.	H	α-helix	trans	-84.4	-46.2	-170.8	-67.7	-177.4	0	0	0	113.5	C138 I140 V194 T234 F235 K244	C138-L238 HydrophobicContact CB-CB 4.13Å; C138-L238 HydrophobicContact CB-CD1 4.16Å; C138-L238 HydrophobicContact CB-CD2 3.87Å; C138-L238 HydrophobicContact CB-CG 4.27Å; I140-L238 HydrophobicContact CD1-CD1 4.21Å; I140-L238 HydrophobicContact CG1-CD1 3.53Å; V194-L238 HydrophobicContact CB-CD1 4.19Å; V194-L238 HydrophobicContact CB-CG 4.44Å; V194-L238 HydrophobicContact CG2-CD1 3.99Å; V194-L238 HydrophobicContact CG2-CD2 3.74Å; V194-L238 HydrophobicContact CG2-CG 3.69Å; T234-L238 HydrophobicContact CG2-CD1 4.08Å; T234-L238 WeakPolarHBondContact O-CG 3.48Å; T234-L238 PolarHBondContact O-N 3.25Å; F235-L238 PolarHBondContact O-N 2.82Å; L238-K244 WeakPolarHBondContact O-CD 3.25Å; L238-K244 VanDerWaalsContact O-CE 3.3Å; L238-K244 WeakPolarHBondContact O-CE 3.43Å; L238-K244 PolarHBondContact O-NZ 3.42Å
239	I	98	Very high	98.3	Very high	29 Å²	29	51.1 Å²	51.1	15%	0.149	25%	0.249	C	C	.	.	H	α-helix	trans	-125.1	-0.5	-168.7	60.8	170.6	0	0	0	114.3	F235 K241 R242 K244 T286 L288	F235-I239 HydrophobicContact CB-CD1 4.07Å; F235-I239 HydrophobicContact CB-CG1 3.89Å; F235-I239 HydrophobicContact CD1-CD1 4.04Å; F235-I239 HydrophobicContact CD1-CG1 4.4Å; F235-I239 HydrophobicContact CG-CD1 4.24Å; F235-I239 HydrophobicContact CG-CG1 4.5Å; F235-I239 CarbonylContact O-C 3.48Å; F235-I239 WeakPolarHBondContact O-CA 3.4Å; F235-I239 WeakPolarHBondContact O-CG1 3.39Å; F235-I239 PolarHBondContact O-N 3.22Å; I239-K241 PolarHBondContact O-N 3.3Å; I239-K241 VanDerWaalsContact O-N 3.15Å; I239-R242 CarbonylContact C-O 3.49Å; I239-R242 VanDerWaalsContact CA-O 3.26Å; I239-R242 WeakPolarHBondContact CA-O 3.48Å; I239-R242 CarbonylContact O-C 3.46Å; I239-R242 PolarHBondContact O-N 3.04Å; I239-R242 VanDerWaalsContact O-O 3.04Å; I239-K244 HydrophobicContact CG2-CB 4.12Å; I239-T286 HydrophobicContact CD1-CG2 4.2Å; I239-L288 HydrophobicContact CD1-CD1 3.91Å; I239-L288 HydrophobicContact CG2-CD1 4.33Å
240	G	96.4	Very high	98.3	Very high	53 Å²	53	47 Å²	47	55%	0.546	23%	0.231	S	C	.	.	S	Bend	trans	-61.6	-24.1	-179.7	0	0	0	0	0	114.6	F235 D236	F235-G240 PolarHBondContact O-N 3.3Å; D236-G240 WeakPolarHBondContact O-CA 3.44Å; D236-G240 PolarHBondContact O-N 2.81Å
241	K	95.9	Very high	98.3	Very high	213 Å²	213	47 Å²	47	93%	0.926	23%	0.232	S	C	*	.	S	Bend	trans	-93.2	-33.6	176.4	-65	-179.9	-177.6	173.1	0	113.8	I239	I239-K241 PolarHBondContact O-N 3.3Å; I239-K241 VanDerWaalsContact O-N 3.15Å
242	R	96.3	Very high	98.3	Very high	137 Å²	137	47 Å²	47	52%	0.517	23%	0.232	S	C	.	.	S	Bend	trans	-158.7	145.5	-178.4	71	177.6	-167.5	-161	-5.7	109.5	I239 K244	I239-R242 CarbonylContact C-O 3.49Å; I239-R242 VanDerWaalsContact CA-O 3.26Å; I239-R242 WeakPolarHBondContact CA-O 3.48Å; I239-R242 CarbonylContact O-C 3.46Å; I239-R242 PolarHBondContact O-N 3.04Å; I239-R242 VanDerWaalsContact O-O 3.04Å; R242-K244 HydrophobicContact CG-CD 4.43Å; R242-K244 HydrophobicContact CG-CG 3.88Å; R242-K244 PolarHBondContact O-N 3.07Å
243	Q	97.3	Very high	98.3	Very high	156 Å²	156	43.6 Å²	43.6	73%	0.729	22%	0.216	S	C	*	.			trans	-64.4	133.4	169.3	-65.8	-172.6	-11.3	0	0	109.8	L288	Q243-L288 HydrophobicContact CB-CD1 4.02Å; Q243-L288 HydrophobicContact CB-CD2 4.05Å; Q243-L288 HydrophobicContact CG-CD1 4.15Å; Q243-L288 HydrophobicContact CG-CD2 4.49Å
244	K	97.8	Very high	98.3	Very high	26 Å²	26	40.6 Å²	40.6	11%	0.113	20%	0.202	C	C	.	.			trans	-135	149.7	177.3	-61.2	174.6	-172.8	163.7	0	109.1	D136 C138 L238 I239 R242 I246	D136-K244 WeakPolarHBondContact O-CD 3.43Å; C138-K244 HydrophobicContact CB-CD 4.33Å; L238-K244 WeakPolarHBondContact O-CD 3.25Å; L238-K244 VanDerWaalsContact O-CE 3.3Å; L238-K244 WeakPolarHBondContact O-CE 3.43Å; L238-K244 PolarHBondContact O-NZ 3.42Å; I239-K244 HydrophobicContact CG2-CB 4.12Å; R242-K244 HydrophobicContact CG-CD 4.43Å; R242-K244 HydrophobicContact CG-CG 3.88Å; R242-K244 PolarHBondContact O-N 3.07Å; K244-I246 PolarHBondContact O-N 3.18Å
245	P	98.7	Very high	98.3	Very high	14 Å²	14	40.7 Å²	40.7	9%	0.091	20%	0.202	C	C	.	.			trans	-59.1	130	169.4	-22	35.1	0	0	0	110.6	R134 L137 C138	R134-P245 HydrophobicContact CB-CB 4.12Å; R134-P245 HydrophobicContact CB-CG 3.94Å; R134-P245 HydrophobicContact CG-CB 4.23Å; R134-P245 HydrophobicContact CG-CG 4.07Å; L137-P245 CarbonylContact C-O 3.49Å; L137-P245 WeakPolarHBondContact CA-O 3.48Å; L137-P245 HydrophobicContact CB-CB 4.22Å; L137-P245 WeakPolarHBondContact CB-O 3.47Å; C138-P245 PolarHBondContact N-O 3.44Å
246	I	98.9	Very high	98.3	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.4	176.2	-62.7	173.9	0	0	0	108.7	I140 F235 K244 I283 T286 L288 L289 S290 A291	I140-I246 HydrophobicContact CD1-CG2 4.07Å; I140-I246 HydrophobicContact CG1-CG2 4.37Å; F235-I246 HydrophobicContact CE1-CD1 4.39Å; K244-I246 PolarHBondContact O-N 3.18Å; I246-I283 HydrophobicContact CG2-CG2 4.4Å; I246-T286 HydrophobicContact CD1-CG2 4.12Å; I246-L288 HydrophobicContact CD1-CB 4.02Å; I246-L288 HydrophobicContact CG1-CB 4.08Å; I246-L288 PolarHBondContact N-O 3.46Å; I246-L289 HydrophobicContact CG2-CD1 4.46Å; I246-S290 PolarHBondContact O-N 3.01Å; I246-A291 PolarHBondContact O-N 3.14Å
247	H	98.9	Very high	98.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	115.7	162.9	-174.2	98.4	0	0	0	107.8	I127 H130 L137 C138 V139 I140 A291 D293	I127-H247 WeakPolarHBondContact CG1-NE2 3.3Å; H130-H247 AromaticContact ND1-CG 3.76Å; H130-H247 AromaticContact ND1-ND1 3.25Å; H130-H247 PolarHBondContact ND1-ND1 3.2Å; L137-H247 HydrophobicContact CD1-CB 4.2Å; C138-H247 PolarHBondContact O-N 3.02Å; V139-H247 WeakPolarHBondContact CA-O 3.27Å; V139-H247 HydrophobicContact CG2-CB 4.34Å; I140-H247 PolarHBondContact N-O 3.41Å; H247-A291 WeakPolarHBondContact CA-O 3.46Å; H247-A291 VanDerWaalsContact ND1-CB 3.33Å; H247-A291 WeakPolarHBondContact ND1-CB 3.44Å; H247-D293 IonicContact CE1-OD1 3.04Å; H247-D293 IonicContact CE1-OD2 3.04Å; H247-D293 IonicContact NE2-OD1 3.89Å; H247-D293 IonicContact NE2-OD2 3.87Å; H247-D293 PolarHBondContact NE2-OD2 3.04Å; H247-D293 VanDerWaalsContact NE2-OD2 3.09Å
248	L	98.9	Very high	98.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	110.6	175.5	173	59.2	0	0	0	108.6	I140 V142 F250 T280 I283 L289 A291 L292 D293	I140-L248 HydrophobicContact CB-CD1 4.22Å; I140-L248 HydrophobicContact CG2-CD1 4.13Å; V142-L248 HydrophobicContact CG2-CD1 3.71Å; L248-F250 HydrophobicContact CD1-CD2 4.32Å; L248-F250 HydrophobicContact CD2-CD2 4.38Å; L248-F250 HydrophobicContact CG-CB 4.37Å; L248-T280 HydrophobicContact CD2-CG2 4.16Å; L248-I283 HydrophobicContact CD1-CD1 3.75Å; L248-I283 HydrophobicContact CD2-CD1 3.78Å; L248-I283 HydrophobicContact CG-CD1 4.23Å; L248-L289 HydrophobicContact CB-CD1 3.95Å; L248-A291 PolarHBondContact N-O 2.98Å; L248-L292 HydrophobicContact CB-CG 4.45Å; L248-L292 HydrophobicContact CD2-CD1 3.9Å; L248-L292 HydrophobicContact CD2-CG 4.24Å; L248-L292 HydrophobicContact CG-CG 4.43Å; L248-L292 CarbonylContact O-C 3.36Å; L248-L292 VanDerWaalsContact O-CA 3.24Å; L248-L292 WeakPolarHBondContact O-CA 3.4Å; L248-D293 PolarHBondContact O-N 2.94Å
249	S	98.9	Very high	98.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	113.6	168.3	-150.8	0	0	0	0	108	H120 I140 W141 V142	H120-S249 PolarHBondContact NE2-OG 2.67Å; I140-S249 PolarHBondContact O-N 3.44Å; W141-S249 WeakPolarHBondContact CA-O 3.43Å; W141-S249 VanDerWaalsContact CE3-CB 3.45Å; V142-S249 PolarHBondContact N-O 3.04Å
250	F	98.9	Very high	98.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	107.5	-174.4	-158.7	-59.5	0	0	0	110	V142 L248 A254 F255 T280 D293 L294 V295 V318	V142-F250 HydrophobicContact CB-CD2 3.78Å; V142-F250 HydrophobicContact CB-CE2 3.95Å; V142-F250 HydrophobicContact CB-CG 4.09Å; V142-F250 HydrophobicContact CB-CZ 4.37Å; V142-F250 HydrophobicContact CG1-CD2 3.97Å; V142-F250 HydrophobicContact CG1-CE1 4.15Å; V142-F250 HydrophobicContact CG1-CE2 3.59Å; V142-F250 HydrophobicContact CG1-CG 4.41Å; V142-F250 HydrophobicContact CG1-CZ 3.67Å; V142-F250 HydrophobicContact CG2-CD2 4.06Å; V142-F250 HydrophobicContact CG2-CE2 4.26Å; L248-F250 HydrophobicContact CD1-CD2 4.32Å; L248-F250 HydrophobicContact CD2-CD2 4.38Å; L248-F250 HydrophobicContact CG-CB 4.37Å; F250-A254 HydrophobicContact CE1-CB 4.15Å; F250-F255 AromaticContact CE1-CD2 3.85Å; F250-F255 HydrophobicContact CE1-CD2 3.85Å; F250-F255 AromaticContact CE1-CE2 3.44Å; F250-F255 HydrophobicContact CE1-CE2 3.44Å; F250-F255 VanDerWaalsContact CE1-CE2 3.44Å; F250-F255 HydrophobicContact CE1-CZ 4.3Å; F250-F255 HydrophobicContact CZ-CD2 4.14Å; F250-F255 AromaticContact CZ-CE2 3.42Å; F250-F255 HydrophobicContact CZ-CE2 3.42Å; F250-F255 VanDerWaalsContact CZ-CE2 3.42Å; F250-F255 AromaticContact CZ-CZ 3.82Å; F250-F255 HydrophobicContact CZ-CZ 3.82Å; F250-T280 HydrophobicContact CD2-CG2 4.5Å; F250-T280 HydrophobicContact CE2-CG2 4.37Å; F250-D293 WeakPolarHBondContact CB-O 3.47Å; F250-D293 PolarHBondContact N-O 3.43Å; F250-L294 HydrophobicContact CB-CD1 4.49Å; F250-L294 HydrophobicContact CD1-CD1 4.37Å; F250-L294 WeakPolarHBondContact O-CA 3.49Å; F250-V295 PolarHBondContact O-N 3.17Å; F250-V295 VanDerWaalsContact O-N 3.12Å; F250-V318 HydrophobicContact CD1-CG1 4.27Å; F250-V318 HydrophobicContact CD2-CG1 3.68Å; F250-V318 HydrophobicContact CE1-CG1 4.5Å; F250-V318 HydrophobicContact CE1-CG2 4.4Å; F250-V318 HydrophobicContact CE2-CG1 3.91Å; F250-V318 HydrophobicContact CE2-CG2 4.45Å; F250-V318 HydrophobicContact CG-CG1 3.89Å; F250-V318 HydrophobicContact CZ-CG1 4.33Å; F250-V318 HydrophobicContact CZ-CG2 4.2Å
251	D	98.9	Very high	98.3	Very high	2 Å²	2	42 Å²	42	1%	0.011	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	128.7	167	-158.9	-50.8	0	0	0	110	H120 V142 D143 D253 A254 V295 E296	H120-D251 IonicContact CE1-OD2 3.26Å; H120-D251 IonicContact CG-OD2 3.51Å; H120-D251 IonicContact ND1-OD2 2.8Å; H120-D251 PolarHBondContact ND1-OD2 3.15Å; H120-D251 VanDerWaalsContact ND1-OD2 3.12Å; V142-D251 PolarHBondContact O-N 3.39Å; D143-D251 HydrophobicContact CB-CB 4.08Å; D143-D251 WeakPolarHBondContact OD2-CB 3.47Å; D251-D253 PolarHBondContact O-N 3.33Å; D251-D253 WeakPolarHBondContact OD1-CB 3.42Å; D251-D253 PolarHBondContact OD1-N 2.92Å; D251-A254 WeakPolarHBondContact O-CB 3.49Å; D251-A254 PolarHBondContact O-N 3.45Å; D251-V295 HydrophobicContact CB-CG2 4.12Å; D251-E296 WeakPolarHBondContact OD1-CB 3.24Å; D251-E296 WeakPolarHBondContact OD2-CG 3.26Å
252	I	98.9	Very high	98.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-62.9	-24.6	178.3	-158.8	66.1	0	0	0	111.9	A254 F255 A260 L294 V295 E296 V297 T311 L314 A315	I252-A254 PolarHBondContact O-N 2.85Å; I252-F255 HydrophobicContact CD1-CD2 4.16Å; I252-F255 HydrophobicContact CD1-CE2 4.35Å; I252-F255 PolarHBondContact O-N 3.23Å; I252-A260 HydrophobicContact CG1-CB 3.75Å; I252-A260 WeakPolarHBondContact O-CB 3.16Å; I252-L294 HydrophobicContact CD1-CD1 4.47Å; I252-V295 WeakPolarHBondContact CG2-O 3.28Å; I252-V295 PolarHBondContact N-O 2.96Å; I252-E296 HydrophobicContact CG2-CB 4.37Å; I252-V297 HydrophobicContact CB-CG2 3.99Å; I252-V297 HydrophobicContact CG1-CG2 4.07Å; I252-V297 HydrophobicContact CG2-CG2 3.99Å; I252-T311 HydrophobicContact CG1-CG2 3.87Å; I252-L314 HydrophobicContact CD1-CD2 4.43Å; I252-L314 HydrophobicContact CD1-CG 4.23Å; I252-A315 HydrophobicContact CD1-CB 4.12Å
253	D	98.7	Very high	98.5	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-72.9	-6	176.6	83.7	15.9	0	0	0	113.7	A144 H145 R199 D251 F255 T263 T265	A144-D253 WeakPolarHBondContact CB-OD1 3.36Å; A144-D253 PolarHBondContact N-OD1 2.72Å; H145-D253 IonicContact CE1-OD1 3.95Å; H145-D253 IonicContact CE1-OD2 3.45Å; H145-D253 PolarHBondContact CE1-OD2 3.2Å; H145-D253 IonicContact ND1-OD1 3.58Å; H145-D253 IonicContact ND1-OD2 3.78Å; H145-D253 PolarHBondContact ND1-OD2 3.07Å; R199-D253 PolarHBondContact NH2-O 3.32Å; D251-D253 PolarHBondContact O-N 3.33Å; D251-D253 WeakPolarHBondContact OD1-CB 3.42Å; D251-D253 PolarHBondContact OD1-N 2.92Å; D253-F255 PolarHBondContact O-N 2.82Å; D253-F255 VanDerWaalsContact O-O 3.04Å; D253-T263 HydrophobicContact CB-CG2 3.74Å; D253-T265 PolarHBondContact OD2-OG1 2.92Å
254	A	98.9	Very high	98.5	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-59.3	-32.9	167.6	0	0	0	0	0	111.7	V142 R199 F250 D251 I252 L271	V142-A254 HydrophobicContact CG1-CB 3.76Å; R199-A254 PolarHBondContact NH1-O 2.72Å; R199-A254 PolarHBondContact NH2-O 3.35Å; F250-A254 HydrophobicContact CE1-CB 4.15Å; D251-A254 WeakPolarHBondContact O-CB 3.49Å; D251-A254 PolarHBondContact O-N 3.45Å; I252-A254 PolarHBondContact O-N 2.85Å; A254-L271 HydrophobicContact CB-CD1 4.05Å; A254-L271 PolarHBondContact O-N 2.97Å
255	F	98.9	Very high	98.5	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-71.2	154.6	173.1	-72.3	-76.6	0	0	0	112.1	R199 F250 I252 D253 L259 A260 L271 T272 L314 V318	R199-F255 PolarHBondContact NH2-O 3.11Å; R199-F255 VanDerWaalsContact NH2-O 3.15Å; F250-F255 AromaticContact CE1-CD2 3.85Å; F250-F255 HydrophobicContact CE1-CD2 3.85Å; F250-F255 AromaticContact CE1-CE2 3.44Å; F250-F255 HydrophobicContact CE1-CE2 3.44Å; F250-F255 VanDerWaalsContact CE1-CE2 3.44Å; F250-F255 HydrophobicContact CE1-CZ 4.3Å; F250-F255 HydrophobicContact CZ-CD2 4.14Å; F250-F255 AromaticContact CZ-CE2 3.42Å; F250-F255 HydrophobicContact CZ-CE2 3.42Å; F250-F255 VanDerWaalsContact CZ-CE2 3.42Å; F250-F255 AromaticContact CZ-CZ 3.82Å; F250-F255 HydrophobicContact CZ-CZ 3.82Å; I252-F255 HydrophobicContact CD1-CD2 4.16Å; I252-F255 HydrophobicContact CD1-CE2 4.35Å; I252-F255 PolarHBondContact O-N 3.23Å; D253-F255 PolarHBondContact O-N 2.82Å; D253-F255 VanDerWaalsContact O-O 3.04Å; F255-L259 HydrophobicContact CB-CB 4.41Å; F255-L259 HydrophobicContact CD1-CD1 4.23Å; F255-A260 HydrophobicContact CB-CB 4.13Å; F255-L271 WeakPolarHBondContact CA-O 3.29Å; F255-L271 HydrophobicContact CD1-CB 4.07Å; F255-L271 WeakPolarHBondContact CD1-O 3.31Å; F255-T272 WeakPolarHBondContact CE1-O 3.45Å; F255-L314 HydrophobicContact CB-CD2 4.27Å; F255-L314 HydrophobicContact CD1-CD2 4.27Å; F255-L314 HydrophobicContact CD2-CD2 3.72Å; F255-L314 HydrophobicContact CD2-CG 4.17Å; F255-L314 HydrophobicContact CE1-CD1 4.26Å; F255-L314 HydrophobicContact CE2-CD1 4.11Å; F255-L314 HydrophobicContact CE2-CD2 4.02Å; F255-L314 HydrophobicContact CE2-CG 3.97Å; F255-L314 HydrophobicContact CG-CD2 3.84Å; F255-L314 HydrophobicContact CZ-CD1 3.9Å; F255-L314 HydrophobicContact CZ-CD2 4.41Å; F255-L314 HydrophobicContact CZ-CG 4.28Å; F255-V318 HydrophobicContact CE2-CG2 3.59Å; F255-V318 HydrophobicContact CZ-CG2 3.76Å
256	D	98.8	Very high	98.4	Very high	27 Å²	27	21.9 Å²	21.9	14%	0.144	12%	0.117	C	C	.	.			trans	-59	139.4	170.6	-169.5	-95.7	0	0	0	110.7	K258 L259 A260 G269 G270 L271	D256-K258 PolarHBondContact O-N 3.11Å; D256-K258 VanDerWaalsContact OD1-CB 3.32Å; D256-K258 WeakPolarHBondContact OD1-CB 3.35Å; D256-K258 VanDerWaalsContact OD1-CG 3.24Å; D256-K258 WeakPolarHBondContact OD1-CG 3.27Å; D256-K258 PolarHBondContact OD1-N 3.19Å; D256-K258 VanDerWaalsContact OD1-N 3.11Å; D256-L259 WeakPolarHBondContact O-CB 3.47Å; D256-L259 PolarHBondContact O-N 3.13Å; D256-A260 PolarHBondContact O-N 3.11Å; D256-G269 WeakPolarHBondContact OD2-CA 3.46Å; D256-G269 PolarHBondContact OD2-N 3.4Å; D256-G270 PolarHBondContact OD2-N 3.03Å; D256-L271 PolarHBondContact N-O 3.07Å
257	P	98.4	Very high	98.4	Very high	26 Å²	26	23.1 Å²	23.1	17%	0.169	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.9	-178.7	-28.3	36.2	0	0	0	114.7	L259 P261 P266 V267	P257-L259 PolarHBondContact O-N 3.31Å; P257-P261 VanDerWaalsContact O-CA 3.29Å; P257-P261 WeakPolarHBondContact O-CA 3.24Å; P257-P261 WeakPolarHBondContact O-CB 3.32Å; P257-P261 VanDerWaalsContact O-CD 3.31Å; P257-P261 WeakPolarHBondContact O-CD 3.27Å; P257-P261 VanDerWaalsContact O-N 3.14Å; P257-P266 HydrophobicContact CB-CB 3.86Å; P257-P266 HydrophobicContact CG-CB 3.63Å; P257-V267 VanDerWaalsContact CD-O 3.26Å; P257-V267 WeakPolarHBondContact CD-O 3.31Å
258	K	98	Very high	98.4	Very high	190 Å²	190	28.7 Å²	28.7	83%	0.826	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.1	170.8	-67.7	174.3	-175.9	173.6	0	113.4	D256	D256-K258 PolarHBondContact O-N 3.11Å; D256-K258 VanDerWaalsContact OD1-CB 3.32Å; D256-K258 WeakPolarHBondContact OD1-CB 3.35Å; D256-K258 VanDerWaalsContact OD1-CG 3.24Å; D256-K258 WeakPolarHBondContact OD1-CG 3.27Å; D256-K258 PolarHBondContact OD1-N 3.19Å; D256-K258 VanDerWaalsContact OD1-N 3.11Å
259	L	98.4	Very high	98.4	Very high	59 Å²	59	30.9 Å²	30.9	31%	0.309	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-38.8	-178.8	-60.3	174.1	0	0	0	111.7	F255 D256 P257 P261 L314	F255-L259 HydrophobicContact CB-CB 4.41Å; F255-L259 HydrophobicContact CD1-CD1 4.23Å; D256-L259 WeakPolarHBondContact O-CB 3.47Å; D256-L259 PolarHBondContact O-N 3.13Å; P257-L259 PolarHBondContact O-N 3.31Å; L259-P261 WeakPolarHBondContact O-CD 3.16Å; L259-L314 HydrophobicContact CB-CD2 3.93Å
260	A	98.1	Very high	98.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.185	C	C	.	.			trans	-124.4	66.8	178.4	0	0	0	0	0	111.7	I252 F255 D256 A262 T263 T311 L314	I252-A260 HydrophobicContact CG1-CB 3.75Å; I252-A260 WeakPolarHBondContact O-CB 3.16Å; F255-A260 HydrophobicContact CB-CB 4.13Å; D256-A260 PolarHBondContact O-N 3.11Å; A260-A262 VanDerWaalsContact C-N 3.29Å; A260-A262 PolarHBondContact O-N 3.41Å; A260-T263 WeakPolarHBondContact O-CG2 3.39Å; A260-T311 HydrophobicContact CB-CG2 3.99Å; A260-L314 HydrophobicContact CB-CD2 4.11Å
261	P	98.1	Very high	98.4	Very high	30 Å²	30	31.3 Å²	31.3	20%	0.195	19%	0.185	C	C	.	.			trans	-69.1	-25.4	-179.5	26.5	-35.5	0	0	0	113.5	P257 L259 T263 E307 T311	P257-P261 VanDerWaalsContact O-CA 3.29Å; P257-P261 WeakPolarHBondContact O-CA 3.24Å; P257-P261 WeakPolarHBondContact O-CB 3.32Å; P257-P261 VanDerWaalsContact O-CD 3.31Å; P257-P261 WeakPolarHBondContact O-CD 3.27Å; P257-P261 VanDerWaalsContact O-N 3.14Å; L259-P261 WeakPolarHBondContact O-CD 3.16Å; P261-T263 VanDerWaalsContact C-N 3.28Å; P261-T263 PolarHBondContact O-N 2.91Å; P261-E307 HydrophobicContact CB-CG 4.46Å; P261-E307 HydrophobicContact CG-CB 3.76Å; P261-E307 HydrophobicContact CG-CG 3.79Å; P261-T311 WeakPolarHBondContact CD-OG1 3.46Å
262	A	98.4	Very high	98.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-86	63.8	-175.3	0	0	0	0	0	111.6	A260 N298 A302 T311	A260-A262 VanDerWaalsContact C-N 3.29Å; A260-A262 PolarHBondContact O-N 3.41Å; A262-N298 CarbonylContact C-O 3.36Å; A262-N298 WeakPolarHBondContact CB-O 3.36Å; A262-N298 CarbonylContact O-C 3.57Å; A262-N298 PolarHBondContact O-N 2.87Å; A262-A302 HydrophobicContact CB-CB 3.89Å; A262-T311 HydrophobicContact CB-CG2 3.98Å; A262-T311 VanDerWaalsContact CB-OG1 3.32Å; A262-T311 WeakPolarHBondContact CB-OG1 3.37Å; A262-T311 PolarHBondContact N-OG1 3.06Å
263	T	98.4	Very high	98.4	Very high	4 Å²	4	38.8 Å²	38.8	3%	0.025	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-139.8	161	179.6	-173.7	0	0	0	0	112.6	D253 A260 P261 P266 E296 L301	D253-T263 HydrophobicContact CB-CG2 3.74Å; A260-T263 WeakPolarHBondContact O-CG2 3.39Å; P261-T263 VanDerWaalsContact C-N 3.28Å; P261-T263 PolarHBondContact O-N 2.91Å; T263-P266 HydrophobicContact CG2-CB 4.03Å; T263-E296 WeakPolarHBondContact CA-O 3.32Å; T263-E296 PolarHBondContact OG1-O 3.02Å; T263-L301 VanDerWaalsContact O-CD1 3.28Å; T263-L301 WeakPolarHBondContact O-CD1 3.36Å
264	G	97.2	Very high	98.4	Very high	3 Å²	3	47.4 Å²	47.4	3%	0.031	25%	0.254	C	S	.	.	S	Bend	trans	-67.4	-42.7	-177.6	0	0	0	0	0	114.2	K39 P266	K39-G264 PolarHBondContact NZ-O 3.06Å; G264-P266 VanDerWaalsContact C-CD 3.48Å; G264-P266 WeakPolarHBondContact O-CD 3.5Å
265	T	96.6	Very high	98.4	Very high	49 Å²	49	49.2 Å²	49.2	30%	0.301	26%	0.262	S	S	.	.	S	Bend	trans	-129.9	61.7	-167.8	32	0	0	0	0	111.4	H145 D253 V267	H145-T265 PolarHBondContact CE1-O 2.91Å; H145-T265 PolarHBondContact CE1-OG1 3.48Å; D253-T265 PolarHBondContact OD2-OG1 2.92Å; T265-V267 PolarHBondContact O-N 3.08Å
266	P	97.7	Very high	98.4	Very high	67 Å²	67	49.1 Å²	49.1	44%	0.435	26%	0.262	S	S	.	.			trans	-66.8	122.9	-175.5	27.4	-34.4	0	0	0	111.8	P257 T263 G264	P257-P266 HydrophobicContact CB-CB 3.86Å; P257-P266 HydrophobicContact CG-CB 3.63Å; T263-P266 HydrophobicContact CG2-CB 4.03Å; G264-P266 VanDerWaalsContact C-CD 3.48Å; G264-P266 WeakPolarHBondContact O-CD 3.5Å
267	V	98.4	Very high	98.3	Very high	26 Å²	26	48.1 Å²	48.1	16%	0.158	26%	0.256	C	S	.	.			trans	-117.7	122.8	175.4	-173.1	0	0	0	0	110.6	A144 R199 D200 P257 T265	A144-V267 HydrophobicContact CB-CB 4.26Å; A144-V267 HydrophobicContact CB-CG2 4.26Å; R199-V267 HydrophobicContact CG-CB 4.27Å; R199-V267 HydrophobicContact CG-CG1 3.79Å; R199-V267 PolarHBondContact NE-O 2.94Å; R199-V267 PolarHBondContact NH2-O 2.73Å; D200-V267 HydrophobicContact CB-CG1 4.17Å; D200-V267 HydrophobicContact CB-CG2 3.82Å; P257-V267 VanDerWaalsContact CD-O 3.26Å; P257-V267 WeakPolarHBondContact CD-O 3.31Å; T265-V267 PolarHBondContact O-N 3.08Å
268	V	98.6	Very high	98.4	Very high	118 Å²	118	49 Å²	49	72%	0.715	26%	0.256	S	S	*	.	S	Bend	trans	-64.9	155.6	-178.9	-62.8	0	0	0	0	113.2
269	G	98.3	Very high	98.4	Very high	46 Å²	46	39.9 Å²	39.9	47%	0.474	22%	0.217	S	C	.	.	S	Bend	trans	77	34.8	-179.6	0	0	0	0	0	112.2	M219 D256	M219-G269 WeakPolarHBondContact CE-O 3.45Å; M219-G269 WeakPolarHBondContact CG-O 3.28Å; D256-G269 WeakPolarHBondContact OD2-CA 3.46Å; D256-G269 PolarHBondContact OD2-N 3.4Å
270	G	98.8	Very high	98.4	Very high	8 Å²	8	37.1 Å²	37.1	8%	0.082	20%	0.202	C	C	.	.			trans	-86	-172.9	-179.9	0	0	0	0	0	114	M219 D256	M219-G270 WeakPolarHBondContact CE-O 3.24Å; D256-G270 PolarHBondContact OD2-N 3.03Å
271	L	98.9	Very high	98.4	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-59.7	141.3	177.1	-62.8	173.9	0	0	0	110.7	V142 M219 I222 A254 F255 D256 E275 I279	V142-L271 HydrophobicContact CG1-CD1 3.71Å; M219-L271 HydrophobicContact CE-CD2 4.19Å; M219-L271 HydrophobicContact SD-CD2 3.87Å; M219-L271 HydrophobicContact SD-CG 4.23Å; I222-L271 HydrophobicContact CD1-CD2 3.73Å; A254-L271 HydrophobicContact CB-CD1 4.05Å; A254-L271 PolarHBondContact O-N 2.97Å; F255-L271 WeakPolarHBondContact CA-O 3.29Å; F255-L271 HydrophobicContact CD1-CB 4.07Å; F255-L271 WeakPolarHBondContact CD1-O 3.31Å; D256-L271 PolarHBondContact N-O 3.07Å; L271-E275 HydrophobicContact CB-CB 4.45Å; L271-E275 HydrophobicContact CD2-CB 4.17Å; L271-I279 HydrophobicContact CD1-CD1 3.79Å
272	T	98.9	Very high	98.5	Very high	65 Å²	65	38.3 Å²	38.3	40%	0.399	21%	0.206	S	C	.	.			trans	-75.4	160.3	165.6	66.8	0	0	0	0	110.6	F255 R274 E275 G276	F255-T272 WeakPolarHBondContact CE1-O 3.45Å; T272-R274 PolarHBondContact O-N 3.15Å; T272-E275 WeakPolarHBondContact CB-OE2 3.35Å; T272-E275 WeakPolarHBondContact CG2-OE2 3.37Å; T272-E275 PolarHBondContact N-OE2 3.14Å; T272-E275 PolarHBondContact O-N 3.09Å; T272-E275 VanDerWaalsContact OG1-CD 3.3Å; T272-E275 WeakPolarHBondContact OG1-CG 3.48Å; T272-E275 PolarHBondContact OG1-N 3Å; T272-E275 PolarHBondContact OG1-OE2 2.87Å; T272-G276 PolarHBondContact O-N 2.88Å; T272-G276 VanDerWaalsContact O-N 3.12Å
273	Y	98.8	Very high	98.5	Very high	94 Å²	94	38.3 Å²	38.3	37%	0.369	21%	0.206	S	C	.	.	H	α-helix	trans	-50.6	-44.4	173.5	-179.3	-88	0	0	0	112	E275 G276 V277 L314 D317	Y273-E275 VanDerWaalsContact C-N 3.31Å; Y273-E275 PolarHBondContact O-N 2.87Å; Y273-G276 PolarHBondContact O-N 3.04Å; Y273-V277 HydrophobicContact CD1-CG2 4.05Å; Y273-V277 HydrophobicContact CE1-CG2 3.6Å; Y273-V277 HydrophobicContact CE2-CG2 4.35Å; Y273-V277 WeakPolarHBondContact O-CG2 3.49Å; Y273-V277 PolarHBondContact O-N 2.76Å; Y273-L314 HydrophobicContact CD2-CD1 3.42Å; Y273-L314 VanDerWaalsContact CD2-CD1 3.42Å; Y273-L314 HydrophobicContact CE2-CD1 3.58Å; Y273-D317 HydrophobicContact CE2-CB 4.4Å; Y273-D317 WeakPolarHBondContact CE2-OD2 3.28Å; Y273-D317 PolarHBondContact OH-OD2 3.17Å
274	R	98.8	Very high	98.4	Very high	183 Å²	183	39 Å²	39	69%	0.691	21%	0.208	S	C	*	.	H	α-helix	trans	-65.2	-34.3	-177.8	-74.2	166.2	55.9	-159	-3.9	112.5	T272 Y278	T272-R274 PolarHBondContact O-N 3.15Å; R274-Y278 WeakPolarHBondContact O-CB 3.16Å; R274-Y278 PolarHBondContact O-N 2.96Å
275	E	98.9	Very high	98.4	Very high	37 Å²	37	45.1 Å²	45.1	17%	0.173	23%	0.234	C	C	.	.	H	α-helix	trans	-73.6	-45.9	178.7	-70.8	162.3	139.4	0	0	110.8	I227 L271 T272 Y273 V277 Y278 I279	I227-E275 HydrophobicContact CB-CB 4.39Å; I227-E275 HydrophobicContact CB-CG 3.99Å; I227-E275 HydrophobicContact CG1-CB 4.14Å; I227-E275 HydrophobicContact CG1-CG 4.3Å; I227-E275 HydrophobicContact CG2-CG 3.99Å; L271-E275 HydrophobicContact CB-CB 4.45Å; L271-E275 HydrophobicContact CD2-CB 4.17Å; T272-E275 WeakPolarHBondContact CB-OE2 3.35Å; T272-E275 WeakPolarHBondContact CG2-OE2 3.37Å; T272-E275 PolarHBondContact N-OE2 3.14Å; T272-E275 PolarHBondContact O-N 3.09Å; T272-E275 VanDerWaalsContact OG1-CD 3.3Å; T272-E275 WeakPolarHBondContact OG1-CG 3.48Å; T272-E275 PolarHBondContact OG1-N 3Å; T272-E275 PolarHBondContact OG1-OE2 2.87Å; Y273-E275 VanDerWaalsContact C-N 3.31Å; Y273-E275 PolarHBondContact O-N 2.87Å; E275-V277 PolarHBondContact O-N 2.84Å; E275-Y278 WeakPolarHBondContact O-CB 3.1Å; E275-Y278 PolarHBondContact O-N 3.01Å; E275-Y278 VanDerWaalsContact O-N 3.1Å; E275-I279 VanDerWaalsContact O-CG1 3.3Å; E275-I279 WeakPolarHBondContact O-CG1 3.44Å; E275-I279 PolarHBondContact O-N 3.02Å
276	G	98.8	Very high	98.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.4	-41.8	175.9	0	0	0	0	0	113.5	T272 Y273 I279 T280	T272-G276 PolarHBondContact O-N 2.88Å; T272-G276 VanDerWaalsContact O-N 3.12Å; Y273-G276 PolarHBondContact O-N 3.04Å; G276-I279 PolarHBondContact O-N 3.34Å; G276-T280 PolarHBondContact O-N 3.19Å; G276-T280 PolarHBondContact O-OG1 2.54Å
277	V	98.4	Very high	98.5	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.03	24%	0.239	C	C	.	.	H	α-helix	trans	-65.7	-38.4	172.2	175.4	0	0	0	0	111.4	Y273 E275 T280 E281 R327	Y273-V277 HydrophobicContact CD1-CG2 4.05Å; Y273-V277 HydrophobicContact CE1-CG2 3.6Å; Y273-V277 HydrophobicContact CE2-CG2 4.35Å; Y273-V277 WeakPolarHBondContact O-CG2 3.49Å; Y273-V277 PolarHBondContact O-N 2.76Å; E275-V277 PolarHBondContact O-N 2.84Å; V277-T280 WeakPolarHBondContact CA-OG1 3.43Å; V277-T280 PolarHBondContact O-N 2.91Å; V277-T280 PolarHBondContact O-OG1 3.07Å; V277-E281 HydrophobicContact CG1-CG 4.15Å; V277-E281 WeakPolarHBondContact O-CB 3.45Å; V277-E281 VanDerWaalsContact O-CG 3.32Å; V277-E281 WeakPolarHBondContact O-CG 3.48Å; V277-E281 PolarHBondContact O-N 2.78Å; V277-R327 HydrophobicContact CG1-CG 4.02Å
278	Y	98.8	Very high	98.4	Very high	44 Å²	44	44.5 Å²	44.5	17%	0.173	24%	0.24	C	C	.	.	H	α-helix	trans	-64	-43.8	176.7	-173.7	-86.6	0	0	0	112.1	I227 Q228 M231 R274 E275 T280 E281 E282	I227-Y278 HydrophobicContact CB-CD1 4.44Å; I227-Y278 HydrophobicContact CG1-CD1 4.09Å; I227-Y278 HydrophobicContact CG2-CD1 3.69Å; I227-Y278 HydrophobicContact CG2-CE1 4.27Å; I227-Y278 HydrophobicContact CG2-CG 3.97Å; Q228-Y278 HydrophobicContact CB-CE1 4.15Å; Q228-Y278 WeakPolarHBondContact CB-OH 3.34Å; Q228-Y278 VanDerWaalsContact CG-OH 3.32Å; Q228-Y278 WeakPolarHBondContact CG-OH 3.41Å; M231-Y278 HydrophobicContact CB-CE1 4.34Å; M231-Y278 HydrophobicContact CG-CD1 4.11Å; M231-Y278 HydrophobicContact CG-CE1 4.01Å; R274-Y278 WeakPolarHBondContact O-CB 3.16Å; R274-Y278 PolarHBondContact O-N 2.96Å; E275-Y278 WeakPolarHBondContact O-CB 3.1Å; E275-Y278 PolarHBondContact O-N 3.01Å; E275-Y278 VanDerWaalsContact O-N 3.1Å; Y278-T280 VanDerWaalsContact C-N 3.28Å; Y278-T280 PolarHBondContact O-N 3.27Å; Y278-E281 PolarHBondContact O-N 2.81Å; Y278-E282 HydrophobicContact CD1-CG 3.88Å; Y278-E282 HydrophobicContact CE1-CG 3.42Å; Y278-E282 VanDerWaalsContact CE1-CG 3.42Å; Y278-E282 HydrophobicContact CE2-CG 4.4Å; Y278-E282 WeakPolarHBondContact O-CB 3.31Å; Y278-E282 WeakPolarHBondContact O-CG 3.25Å; Y278-E282 PolarHBondContact O-N 3.33Å
279	I	98.9	Very high	98.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-53.8	-48.9	175.2	-68.4	164.9	0	0	0	110.2	V142 I196 I227 M231 L271 E275 G276 E282 I283	V142-I279 HydrophobicContact CG1-CD1 4.22Å; V142-I279 HydrophobicContact CG2-CG2 4.17Å; I196-I279 HydrophobicContact CG2-CD1 4.03Å; I227-I279 HydrophobicContact CD1-CD1 3.93Å; I227-I279 HydrophobicContact CD1-CG1 3.78Å; I227-I279 HydrophobicContact CG1-CD1 4.49Å; I227-I279 HydrophobicContact CG1-CG1 3.94Å; M231-I279 HydrophobicContact CE-CG2 4.08Å; M231-I279 HydrophobicContact CG-CG1 4.49Å; M231-I279 HydrophobicContact SD-CB 4.08Å; M231-I279 HydrophobicContact SD-CG1 3.76Å; M231-I279 HydrophobicContact SD-CG2 3.96Å; L271-I279 HydrophobicContact CD1-CD1 3.79Å; E275-I279 VanDerWaalsContact O-CG1 3.3Å; E275-I279 WeakPolarHBondContact O-CG1 3.44Å; E275-I279 PolarHBondContact O-N 3.02Å; G276-I279 PolarHBondContact O-N 3.34Å; I279-E282 PolarHBondContact O-N 2.81Å; I279-I283 HydrophobicContact CG2-CD1 3.81Å; I279-I283 VanDerWaalsContact O-CG1 3.29Å; I279-I283 WeakPolarHBondContact O-CG1 3.41Å; I279-I283 PolarHBondContact O-N 2.83Å
280	T	98.7	Very high	98.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-74.1	-35.6	-175.6	46.6	0	0	0	0	113.4	L248 F250 G276 V277 Y278 I283 H284 V318 S321 S322	L248-T280 HydrophobicContact CD2-CG2 4.16Å; F250-T280 HydrophobicContact CD2-CG2 4.5Å; F250-T280 HydrophobicContact CE2-CG2 4.37Å; G276-T280 PolarHBondContact O-N 3.19Å; G276-T280 PolarHBondContact O-OG1 2.54Å; V277-T280 WeakPolarHBondContact CA-OG1 3.43Å; V277-T280 PolarHBondContact O-N 2.91Å; V277-T280 PolarHBondContact O-OG1 3.07Å; Y278-T280 VanDerWaalsContact C-N 3.28Å; Y278-T280 PolarHBondContact O-N 3.27Å; T280-I283 PolarHBondContact O-N 3.45Å; T280-H284 WeakPolarHBondContact O-CB 3.26Å; T280-H284 PolarHBondContact O-N 3.14Å; T280-V318 HydrophobicContact CG2-CG1 3.87Å; T280-S321 WeakPolarHBondContact OG1-CB 3.5Å; T280-S321 PolarHBondContact OG1-OG 3.02Å; T280-S322 VanDerWaalsContact CB-OG 3.3Å; T280-S322 WeakPolarHBondContact CB-OG 3.4Å; T280-S322 WeakPolarHBondContact CG2-OG 3.22Å
281	E	98.4	Very high	98.5	Very high	19 Å²	19	37.5 Å²	37.5	9%	0.089	19%	0.186	C	C	.	.	H	α-helix	trans	-59.9	-44.6	169.7	-76	178.9	167.8	0	0	111.5	V277 Y278 H284 K285 S321 R327	V277-E281 HydrophobicContact CG1-CG 4.15Å; V277-E281 WeakPolarHBondContact O-CB 3.45Å; V277-E281 VanDerWaalsContact O-CG 3.32Å; V277-E281 WeakPolarHBondContact O-CG 3.48Å; V277-E281 PolarHBondContact O-N 2.78Å; Y278-E281 PolarHBondContact O-N 2.81Å; E281-H284 PolarHBondContact O-N 3.37Å; E281-K285 VanDerWaalsContact O-CG 3.27Å; E281-K285 WeakPolarHBondContact O-CG 3.32Å; E281-K285 PolarHBondContact O-N 2.95Å; E281-S321 WeakPolarHBondContact CG-OG 3.42Å; E281-R327 WeakPolarHBondContact OE1-CG 3.41Å; E281-R327 IonicContact OE1-CZ 2.68Å; E281-R327 PolarHBondContact OE1-N 2.83Å; E281-R327 IonicContact OE1-NE 3.72Å; E281-R327 PolarHBondContact OE1-NE 3.01Å; E281-R327 IonicContact OE1-NH2 2.76Å; E281-R327 IonicContact OE2-CZ 2.76Å; E281-R327 VanDerWaalsContact OE2-CZ 3.32Å; E281-R327 IonicContact OE2-NE 3.32Å; E281-R327 PolarHBondContact OE2-NE 2.78Å; E281-R327 IonicContact OE2-NH2 3.71Å; E281-R327 PolarHBondContact OE2-NH2 2.78Å
282	E	98.8	Very high	98.5	Very high	37 Å²	37	37.5 Å²	37.5	17%	0.173	19%	0.186	C	C	.	.	H	α-helix	trans	-67.3	-40.5	178.8	-71.4	-51.4	119.2	0	0	111.8	M231 F235 Y278 I279 K285 T286	M231-E282 HydrophobicContact CB-CB 4.29Å; M231-E282 HydrophobicContact CB-CG 4.24Å; M231-E282 HydrophobicContact CE-CB 4.15Å; M231-E282 HydrophobicContact CG-CB 4.25Å; M231-E282 HydrophobicContact CG-CG 4.26Å; F235-E282 HydrophobicContact CE2-CB 3.94Å; F235-E282 HydrophobicContact CZ-CB 4.07Å; Y278-E282 HydrophobicContact CD1-CG 3.88Å; Y278-E282 HydrophobicContact CE1-CG 3.42Å; Y278-E282 VanDerWaalsContact CE1-CG 3.42Å; Y278-E282 HydrophobicContact CE2-CG 4.4Å; Y278-E282 WeakPolarHBondContact O-CB 3.31Å; Y278-E282 WeakPolarHBondContact O-CG 3.25Å; Y278-E282 PolarHBondContact O-N 3.33Å; I279-E282 PolarHBondContact O-N 2.81Å; E282-K285 PolarHBondContact O-N 2.72Å; E282-K285 IonicContact OE1-NZ 3.22Å; E282-K285 PolarHBondContact OE1-NZ 3.44Å; E282-T286 WeakPolarHBondContact O-CG2 3.49Å; E282-T286 PolarHBondContact O-N 2.91Å
283	I	98.6	Very high	98.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.8	-45.3	173.6	-71.2	169.8	0	0	0	110.8	I140 M231 F235 I246 L248 I279 T280 K285 T286 L289	I140-I283 HydrophobicContact CD1-CD1 3.94Å; I140-I283 HydrophobicContact CD1-CG1 4Å; I140-I283 HydrophobicContact CG2-CD1 4.44Å; M231-I283 HydrophobicContact CE-CD1 4.39Å; M231-I283 HydrophobicContact CE-CG1 3.95Å; F235-I283 HydrophobicContact CE1-CG1 4.25Å; F235-I283 HydrophobicContact CZ-CG1 4.17Å; I246-I283 HydrophobicContact CG2-CG2 4.4Å; L248-I283 HydrophobicContact CD1-CD1 3.75Å; L248-I283 HydrophobicContact CD2-CD1 3.78Å; L248-I283 HydrophobicContact CG-CD1 4.23Å; I279-I283 HydrophobicContact CG2-CD1 3.81Å; I279-I283 VanDerWaalsContact O-CG1 3.29Å; I279-I283 WeakPolarHBondContact O-CG1 3.41Å; I279-I283 PolarHBondContact O-N 2.83Å; T280-I283 PolarHBondContact O-N 3.45Å; I283-K285 VanDerWaalsContact C-N 3.32Å; I283-K285 PolarHBondContact O-N 2.8Å; I283-T286 WeakPolarHBondContact O-CB 3.43Å; I283-T286 PolarHBondContact O-N 2.88Å; I283-T286 PolarHBondContact O-OG1 3.02Å; I283-L289 HydrophobicContact CG2-CB 4.1Å; I283-L289 HydrophobicContact CG2-CD1 3.94Å; I283-L289 HydrophobicContact CG2-CD2 4.4Å; I283-L289 HydrophobicContact CG2-CG 4.37Å
284	H	97.9	Very high	98.5	Very high	18 Å²	18	30 Å²	30	8%	0.083	15%	0.15	C	C	.	.	H	α-helix	trans	-56.8	-45.4	176.1	174.1	67.8	0	0	0	111.9	R21 T280 E281 T286 G287 S322 G324	R21-H284 PolarHBondContact NH1-NE2 3.46Å; R21-H284 PolarHBondContact NH2-NE2 3.26Å; R21-H284 VanDerWaalsContact NH2-NE2 3.15Å; T280-H284 WeakPolarHBondContact O-CB 3.26Å; T280-H284 PolarHBondContact O-N 3.14Å; E281-H284 PolarHBondContact O-N 3.37Å; H284-T286 PolarHBondContact O-N 2.94Å; H284-T286 VanDerWaalsContact O-N 3.15Å; H284-G287 PolarHBondContact O-N 3.2Å; H284-S322 WeakPolarHBondContact CB-O 3.23Å; H284-S322 PolarHBondContact ND1-O 3.4Å; H284-G324 VanDerWaalsContact CD2-CA 3.44Å; H284-G324 WeakPolarHBondContact CD2-CA 3.45Å; H284-G324 WeakPolarHBondContact CE1-CA 3.24Å; H284-G324 PolarHBondContact ND1-N 3.31Å; H284-G324 VanDerWaalsContact NE2-CA 3.29Å; H284-G324 WeakPolarHBondContact NE2-CA 3.19Å
285	K	96.6	Very high	98.5	Very high	131 Å²	131	21.3 Å²	21.3	57%	0.57	12%	0.118	S	C	*	.	H	α-helix	trans	-60.1	-25.1	-178.6	-74.9	170.1	-168.8	171.7	0	113.5	E281 E282 I283 G287	E281-K285 VanDerWaalsContact O-CG 3.27Å; E281-K285 WeakPolarHBondContact O-CG 3.32Å; E281-K285 PolarHBondContact O-N 2.95Å; E282-K285 PolarHBondContact O-N 2.72Å; E282-K285 IonicContact OE1-NZ 3.22Å; E282-K285 PolarHBondContact OE1-NZ 3.44Å; I283-K285 VanDerWaalsContact C-N 3.32Å; I283-K285 PolarHBondContact O-N 2.8Å; K285-G287 PolarHBondContact O-N 3Å
286	T	97.9	Very high	98.5	Very high	35 Å²	35	19.6 Å²	19.6	22%	0.215	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-28.3	175	70.9	0	0	0	0	112.6	F235 I239 I246 E282 I283 H284 L288	F235-T286 HydrophobicContact CD1-CG2 4.19Å; F235-T286 HydrophobicContact CE1-CG2 3.75Å; F235-T286 HydrophobicContact CE2-CG2 4.13Å; F235-T286 HydrophobicContact CZ-CG2 3.71Å; I239-T286 HydrophobicContact CD1-CG2 4.2Å; I246-T286 HydrophobicContact CD1-CG2 4.12Å; E282-T286 WeakPolarHBondContact O-CG2 3.49Å; E282-T286 PolarHBondContact O-N 2.91Å; I283-T286 WeakPolarHBondContact O-CB 3.43Å; I283-T286 PolarHBondContact O-N 2.88Å; I283-T286 PolarHBondContact O-OG1 3.02Å; H284-T286 PolarHBondContact O-N 2.94Å; H284-T286 VanDerWaalsContact O-N 3.15Å; T286-L288 PolarHBondContact O-N 3.41Å; T286-L288 PolarHBondContact OG1-N 2.86Å
287	G	97.2	Very high	98.5	Very high	61 Å²	61	19.8 Å²	19.8	63%	0.629	11%	0.11	S	C	*	.	T	Hydrogen-bonded Turn	trans	67	12	-169.7	0	0	0	0	0	114	H284 K285	H284-G287 PolarHBondContact O-N 3.2Å; K285-G287 PolarHBondContact O-N 3Å
288	L	98.4	Very high	98.5	Very high	33 Å²	33	19.6 Å²	19.6	17%	0.173	11%	0.109	C	C	.	.			trans	-110.1	-0.2	-173.3	-63.1	173.7	0	0	0	113.8	I239 Q243 I246 T286 S290	I239-L288 HydrophobicContact CD1-CD1 3.91Å; I239-L288 HydrophobicContact CG2-CD1 4.33Å; Q243-L288 HydrophobicContact CB-CD1 4.02Å; Q243-L288 HydrophobicContact CB-CD2 4.05Å; Q243-L288 HydrophobicContact CG-CD1 4.15Å; Q243-L288 HydrophobicContact CG-CD2 4.49Å; I246-L288 HydrophobicContact CD1-CB 4.02Å; I246-L288 HydrophobicContact CG1-CB 4.08Å; I246-L288 PolarHBondContact N-O 3.46Å; T286-L288 PolarHBondContact O-N 3.41Å; T286-L288 PolarHBondContact OG1-N 2.86Å; L288-S290 PolarHBondContact O-N 3.23Å; L288-S290 VanDerWaalsContact O-N 3.15Å
289	L	98.8	Very high	98.5	Very high	18 Å²	18	18.9 Å²	18.9	9%	0.094	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	115.3	176.1	-177.9	64.9	0	0	0	110.9	S112 I246 L248 I283 A291 L292 S322 F323	S112-L289 PolarHBondContact OG-O 3.05Å; S112-L289 VanDerWaalsContact OG-O 3.05Å; I246-L289 HydrophobicContact CG2-CD1 4.46Å; L248-L289 HydrophobicContact CB-CD1 3.95Å; I283-L289 HydrophobicContact CG2-CB 4.1Å; I283-L289 HydrophobicContact CG2-CD1 3.94Å; I283-L289 HydrophobicContact CG2-CD2 4.4Å; I283-L289 HydrophobicContact CG2-CG 4.37Å; L289-A291 VanDerWaalsContact CD1-O 3.29Å; L289-A291 WeakPolarHBondContact CD1-O 3.44Å; L289-L292 HydrophobicContact CD2-CD1 4.4Å; L289-S322 WeakPolarHBondContact CD2-O 3.4Å; L289-F323 HydrophobicContact CD2-CE1 4.25Å; L289-F323 HydrophobicContact CD2-CE2 4.32Å; L289-F323 HydrophobicContact CD2-CZ 4.02Å
290	S	98.7	Very high	98.5	Very high	7 Å²	7	24.1 Å²	24.1	5%	0.049	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	-29.4	-174.1	-175.8	0	0	0	0	112.1	S112 C113 H130 I246 L288	S112-S290 CarbonylContact C-O 3.47Å; S112-S290 VanDerWaalsContact CA-O 3.22Å; S112-S290 WeakPolarHBondContact CA-O 3.35Å; C113-S290 PolarHBondContact N-O 3.36Å; H130-S290 VanDerWaalsContact NE2-CB 3.32Å; H130-S290 WeakPolarHBondContact NE2-CB 3.47Å; H130-S290 PolarHBondContact NE2-OG 3.08Å; I246-S290 PolarHBondContact O-N 3.01Å; L288-S290 PolarHBondContact O-N 3.23Å; L288-S290 VanDerWaalsContact O-N 3.15Å
291	A	98.9	Very high	98.4	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	152.2	170.6	0	0	0	0	0	110.9	C113 I246 H247 L248 L289	C113-A291 HydrophobicContact CB-CB 4.41Å; C113-A291 CarbonylContact O-C 3.41Å; C113-A291 WeakPolarHBondContact O-CA 3.48Å; I246-A291 PolarHBondContact O-N 3.14Å; H247-A291 WeakPolarHBondContact CA-O 3.46Å; H247-A291 VanDerWaalsContact ND1-CB 3.33Å; H247-A291 WeakPolarHBondContact ND1-CB 3.44Å; L248-A291 PolarHBondContact N-O 2.98Å; L289-A291 VanDerWaalsContact CD1-O 3.29Å; L289-A291 WeakPolarHBondContact CD1-O 3.44Å
292	L	98.9	Very high	98.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	128.1	179.7	-177.1	157.6	0	0	0	109.5	C113 V114 T115 L248 L289 L294 I319 S322 F323	C113-L292 PolarHBondContact O-N 3.43Å; V114-L292 CarbonylContact C-O 3.54Å; V114-L292 WeakPolarHBondContact CA-O 3.43Å; V114-L292 HydrophobicContact CG1-CD2 4.28Å; V114-L292 HydrophobicContact CG2-CB 4.46Å; T115-L292 PolarHBondContact N-O 3.4Å; L248-L292 HydrophobicContact CB-CG 4.45Å; L248-L292 HydrophobicContact CD2-CD1 3.9Å; L248-L292 HydrophobicContact CD2-CG 4.24Å; L248-L292 HydrophobicContact CG-CG 4.43Å; L248-L292 CarbonylContact O-C 3.36Å; L248-L292 VanDerWaalsContact O-CA 3.24Å; L248-L292 WeakPolarHBondContact O-CA 3.4Å; L289-L292 HydrophobicContact CD2-CD1 4.4Å; L292-L294 HydrophobicContact CD2-CB 4Å; L292-I319 HydrophobicContact CD2-CG1 3.9Å; L292-S322 WeakPolarHBondContact CD1-OG 3.22Å; L292-F323 HydrophobicContact CD1-CE2 4.45Å
293	D	98.9	Very high	98.3	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	134.6	167.8	-56.2	-18.7	0	0	0	108.7	T115 L122 T126 H247 L248 F250 V295	T115-D293 WeakPolarHBondContact O-CA 3.45Å; L122-D293 HydrophobicContact CD1-CB 4.36Å; T126-D293 VanDerWaalsContact CB-OD1 3.29Å; T126-D293 WeakPolarHBondContact CB-OD1 3.15Å; T126-D293 WeakPolarHBondContact CB-OD2 3.45Å; T126-D293 VanDerWaalsContact CG2-OD1 3.31Å; T126-D293 WeakPolarHBondContact CG2-OD1 3.35Å; T126-D293 PolarHBondContact OG1-OD1 2.83Å; T126-D293 PolarHBondContact OG1-OD2 3.45Å; H247-D293 IonicContact CE1-OD1 3.04Å; H247-D293 IonicContact CE1-OD2 3.04Å; H247-D293 IonicContact NE2-OD1 3.89Å; H247-D293 IonicContact NE2-OD2 3.87Å; H247-D293 PolarHBondContact NE2-OD2 3.04Å; H247-D293 VanDerWaalsContact NE2-OD2 3.09Å; L248-D293 PolarHBondContact O-N 2.94Å; F250-D293 WeakPolarHBondContact CB-O 3.47Å; F250-D293 PolarHBondContact N-O 3.43Å; D293-V295 HydrophobicContact CB-CG1 4.11Å
294	L	98.9	Very high	98.3	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	111	171.6	-179.3	89.2	0	0	0	108.3	V49 T115 G117 F250 I252 L292 A315 V318 I319	V49-L294 HydrophobicContact CG1-CD2 4.4Å; V49-L294 HydrophobicContact CG2-CD2 4.33Å; T115-L294 PolarHBondContact O-N 2.9Å; G117-L294 PolarHBondContact N-O 2.82Å; F250-L294 HydrophobicContact CB-CD1 4.49Å; F250-L294 HydrophobicContact CD1-CD1 4.37Å; F250-L294 WeakPolarHBondContact O-CA 3.49Å; I252-L294 HydrophobicContact CD1-CD1 4.47Å; L292-L294 HydrophobicContact CD2-CB 4Å; L294-A315 HydrophobicContact CD1-CB 4.35Å; L294-A315 HydrophobicContact CD2-CB 3.23Å; L294-A315 HydrophobicContact CG-CB 4.24Å; L294-V318 HydrophobicContact CD1-CB 4.22Å; L294-V318 HydrophobicContact CD1-CG1 3.93Å; L294-I319 HydrophobicContact CB-CD1 4.05Å; L294-I319 HydrophobicContact CB-CG1 4.17Å; L294-I319 HydrophobicContact CD2-CD1 3.47Å; L294-I319 VanDerWaalsContact CD2-CD1 3.47Å; L294-I319 HydrophobicContact CD2-CG1 3.98Å; L294-I319 HydrophobicContact CG-CD1 4.29Å; L294-I319 HydrophobicContact CG-CG1 4.44Å
295	V	98.9	Very high	98.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	174	-162.2	-55.4	0	0	0	0	113.2	H120 L122 F250 D251 I252 D293 V297	H120-V295 HydrophobicContact CB-CG2 4.06Å; L122-V295 HydrophobicContact CD1-CG1 3.79Å; L122-V295 HydrophobicContact CD2-CG1 3.88Å; L122-V295 HydrophobicContact CG-CG1 4.01Å; F250-V295 PolarHBondContact O-N 3.17Å; F250-V295 VanDerWaalsContact O-N 3.12Å; D251-V295 HydrophobicContact CB-CG2 4.12Å; I252-V295 WeakPolarHBondContact CG2-O 3.28Å; I252-V295 PolarHBondContact N-O 2.96Å; D293-V295 HydrophobicContact CB-CG1 4.11Å; V295-V297 PolarHBondContact O-N 3.24Å
296	E	98.9	Very high	98.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	22%	0.222	C	C	.	.			trans	61.2	11.9	173.7	-62.4	-66.2	176.2	0	0	116.6	G118 D119 H120 H160 D251 I252 T263 N298	G118-E296 PolarHBondContact O-N 2.94Å; D119-E296 VanDerWaalsContact CA-OE1 3.25Å; D119-E296 WeakPolarHBondContact CA-OE1 3.32Å; D119-E296 VanDerWaalsContact CB-OE1 3.31Å; D119-E296 WeakPolarHBondContact CB-OE1 3.46Å; H120-E296 HydrophobicContact CB-CG 4.32Å; H120-E296 PolarHBondContact N-OE1 3.42Å; H160-E296 IonicContact CE1-OE1 2.78Å; H160-E296 IonicContact CG-OE1 3.9Å; H160-E296 IonicContact ND1-OE1 3.78Å; H160-E296 PolarHBondContact ND1-OE1 3.17Å; D251-E296 WeakPolarHBondContact OD1-CB 3.24Å; D251-E296 WeakPolarHBondContact OD2-CG 3.26Å; I252-E296 HydrophobicContact CG2-CB 4.37Å; T263-E296 WeakPolarHBondContact CA-O 3.32Å; T263-E296 PolarHBondContact OG1-O 3.02Å; E296-N298 PolarHBondContact O-N 2.98Å
297	V	98.9	Very high	98.3	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.018	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-67.1	107	167.2	-179	0	0	0	0	109.2	G45 V49 I252 V295 P299 T311 A315	G45-V297 VanDerWaalsContact CA-O 3.24Å; G45-V297 WeakPolarHBondContact CA-O 3.25Å; V49-V297 HydrophobicContact CG2-CG1 4.4Å; V49-V297 HydrophobicContact CG2-CG2 4.39Å; I252-V297 HydrophobicContact CB-CG2 3.99Å; I252-V297 HydrophobicContact CG1-CG2 4.07Å; I252-V297 HydrophobicContact CG2-CG2 3.99Å; V295-V297 PolarHBondContact O-N 3.24Å; V297-P299 WeakPolarHBondContact O-CD 3.37Å; V297-T311 HydrophobicContact CG1-CG2 4.31Å; V297-A315 HydrophobicContact CG2-CB 4.07Å
298	N	98.8	Very high	98.4	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.203	C	C	.	.			trans	-118.3	89.2	179.4	-170.6	-22.8	0	0	0	110.8	K40 G41 V42 A262 E296 Q300 L301	K40-N298 PolarHBondContact O-ND2 3.44Å; G41-N298 VanDerWaalsContact C-CG 3.41Å; G41-N298 VanDerWaalsContact CA-OD1 3.28Å; G41-N298 WeakPolarHBondContact CA-OD1 3.22Å; G41-N298 PolarHBondContact O-OD1 2.93Å; V42-N298 HydrophobicContact CB-CB 4.05Å; V42-N298 HydrophobicContact CG2-CB 4.25Å; V42-N298 VanDerWaalsContact N-CG 3.28Å; V42-N298 PolarHBondContact N-ND2 3.05Å; V42-N298 PolarHBondContact N-OD1 3.42Å; A262-N298 CarbonylContact C-O 3.36Å; A262-N298 WeakPolarHBondContact CB-O 3.36Å; A262-N298 CarbonylContact O-C 3.57Å; A262-N298 PolarHBondContact O-N 2.87Å; E296-N298 PolarHBondContact O-N 2.98Å; N298-Q300 PolarHBondContact O-N 2.8Å; N298-Q300 VanDerWaalsContact O-N 3.09Å; N298-Q300 PolarHBondContact OD1-N 3.46Å; N298-Q300 VanDerWaalsContact OD1-N 3.17Å; N298-L301 HydrophobicContact CB-CD1 3.97Å; N298-L301 HydrophobicContact CB-CG 4.18Å; N298-L301 WeakPolarHBondContact ND2-CD1 3.36Å; N298-L301 PolarHBondContact O-N 2.9Å; N298-L301 VanDerWaalsContact O-N 3.1Å
299	P	98.4	Very high	98.4	Very high	30 Å²	30	41.8 Å²	41.8	20%	0.195	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-63.2	-18.7	-177.1	26.7	-35.8	0	0	0	113.6	A48 V297 L301 A302 A308	A48-P299 HydrophobicContact CB-CB 4.38Å; A48-P299 HydrophobicContact CB-CG 4.12Å; V297-P299 WeakPolarHBondContact O-CD 3.37Å; P299-L301 VanDerWaalsContact C-N 3.31Å; P299-A302 WeakPolarHBondContact O-CB 3.26Å; P299-A302 PolarHBondContact O-N 3.37Å; P299-A308 HydrophobicContact CB-CB 4.05Å
300	Q	98.2	Very high	98.4	Very high	109 Å²	109	43.3 Å²	43.3	51%	0.509	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-77.1	-15.9	178	-64	-164.1	-30.3	0	0	113.8	G41 Y44 N298	G41-Q300 VanDerWaalsContact CA-OE1 3.22Å; Y44-Q300 HydrophobicContact CD2-CG 3.92Å; Y44-Q300 HydrophobicContact CE2-CG 4.24Å; N298-Q300 PolarHBondContact O-N 2.8Å; N298-Q300 VanDerWaalsContact O-N 3.09Å; N298-Q300 PolarHBondContact OD1-N 3.46Å; N298-Q300 VanDerWaalsContact OD1-N 3.17Å
301	L	98	Very high	98.4	Very high	64 Å²	64	43 Å²	43	34%	0.335	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-88.3	-9	176.1	-63	178.8	0	0	0	112.8	K39 T263 N298 P299	K39-L301 HydrophobicContact CD-CD1 3.79Å; K39-L301 HydrophobicContact CD-CD2 4.39Å; T263-L301 VanDerWaalsContact O-CD1 3.28Å; T263-L301 WeakPolarHBondContact O-CD1 3.36Å; N298-L301 HydrophobicContact CB-CD1 3.97Å; N298-L301 HydrophobicContact CB-CG 4.18Å; N298-L301 WeakPolarHBondContact ND2-CD1 3.36Å; N298-L301 PolarHBondContact O-N 2.9Å; N298-L301 VanDerWaalsContact O-N 3.1Å; P299-L301 VanDerWaalsContact C-N 3.31Å
302	A	97.4	Very high	98.4	Very high	20 Å²	20	43.1 Å²	43.1	17%	0.165	23%	0.233	C	C	.	.			trans	-64.5	140.8	173.1	0	0	0	0	0	111	A262 P299 S304 E307 A308	A262-A302 HydrophobicContact CB-CB 3.89Å; P299-A302 WeakPolarHBondContact O-CB 3.26Å; P299-A302 PolarHBondContact O-N 3.37Å; A302-S304 VanDerWaalsContact C-N 3.33Å; A302-S304 WeakPolarHBondContact CB-O 3.5Å; A302-E307 HydrophobicContact CB-CB 3.89Å; A302-A308 HydrophobicContact CB-CB 3.74Å
303	T	97.1	Very high	98.3	Very high	123 Å²	123	45.5 Å²	45.5	76%	0.755	25%	0.25	S	S	*	.	S	Bend	trans	-82	-16.8	176.3	68.8	0	0	0	0	112.6	E307	T303-E307 WeakPolarHBondContact CB-OE2 3.13Å; T303-E307 PolarHBondContact N-OE2 3.1Å; T303-E307 PolarHBondContact OG1-OE1 2.98Å; T303-E307 PolarHBondContact OG1-OE2 3.42Å
304	S	98	Very high	98.3	Very high	43 Å²	43	45.9 Å²	45.9	30%	0.301	25%	0.252	S	S	.	.	S	Bend	trans	-144.5	165.1	173.9	83.9	0	0	0	0	112.5	A302 E306 E307 A308	A302-S304 VanDerWaalsContact C-N 3.33Å; A302-S304 WeakPolarHBondContact CB-O 3.5Å; S304-E306 WeakPolarHBondContact CB-OE2 3.4Å; S304-E306 PolarHBondContact O-N 3.48Å; S304-E306 PolarHBondContact OG-N 3.21Å; S304-E306 PolarHBondContact OG-OE2 2.59Å; S304-E307 PolarHBondContact O-N 2.92Å; S304-E307 PolarHBondContact OG-N 3Å; S304-A308 PolarHBondContact O-N 2.97Å
305	E	97.6	Very high	98.3	Very high	122 Å²	122	45.9 Å²	45.9	57%	0.57	25%	0.252	S	S	*	.	H	α-helix	trans	-63.6	-32.9	174.8	-168.1	-176.1	158.3	0	0	111.5	A308 K309	E305-A308 PolarHBondContact O-N 3.01Å; E305-K309 HydrophobicContact CG-CD 4.18Å; E305-K309 WeakPolarHBondContact O-CB 3.21Å; E305-K309 WeakPolarHBondContact O-CG 3.29Å; E305-K309 PolarHBondContact O-N 3.07Å; E305-K309 WeakPolarHBondContact OE1-CE 3.33Å; E305-K309 IonicContact OE1-NZ 3.19Å; E305-K309 PolarHBondContact OE1-NZ 3.19Å
306	E	97.8	Very high	98.3	Very high	135 Å²	135	46 Å²	46	63%	0.631	25%	0.253	S	S	*	.	H	α-helix	trans	-62.9	-42	175.2	-62	76.8	-166.3	0	0	111.9	S304 K309 A310	S304-E306 WeakPolarHBondContact CB-OE2 3.4Å; S304-E306 PolarHBondContact O-N 3.48Å; S304-E306 PolarHBondContact OG-N 3.21Å; S304-E306 PolarHBondContact OG-OE2 2.59Å; E306-K309 PolarHBondContact O-N 3.13Å; E306-A310 VanDerWaalsContact O-CB 3.22Å; E306-A310 WeakPolarHBondContact O-CB 3.35Å; E306-A310 PolarHBondContact O-N 3.04Å
307	E	98.3	Very high	98.3	Very high	60 Å²	60	47.3 Å²	47.3	28%	0.28	26%	0.26	S	S	.	.	H	α-helix	trans	-65.7	-41	177	-78	-173	167.4	0	0	112.3	P261 A302 T303 S304 A310 T311	P261-E307 HydrophobicContact CB-CG 4.46Å; P261-E307 HydrophobicContact CG-CB 3.76Å; P261-E307 HydrophobicContact CG-CG 3.79Å; A302-E307 HydrophobicContact CB-CB 3.89Å; T303-E307 WeakPolarHBondContact CB-OE2 3.13Å; T303-E307 PolarHBondContact N-OE2 3.1Å; T303-E307 PolarHBondContact OG1-OE1 2.98Å; T303-E307 PolarHBondContact OG1-OE2 3.42Å; S304-E307 PolarHBondContact O-N 2.92Å; S304-E307 PolarHBondContact OG-N 3Å; E307-A310 PolarHBondContact O-N 3.31Å; E307-T311 PolarHBondContact O-N 3.39Å; E307-T311 PolarHBondContact O-OG1 3.42Å
308	A	98.4	Very high	98.3	Very high	19 Å²	19	47.1 Å²	47.1	16%	0.157	26%	0.259	C	S	.	.	H	α-helix	trans	-62	-48.2	174.6	0	0	0	0	0	111	P299 A302 S304 E305 T311 A312	P299-A308 HydrophobicContact CB-CB 4.05Å; A302-A308 HydrophobicContact CB-CB 3.74Å; S304-A308 PolarHBondContact O-N 2.97Å; E305-A308 PolarHBondContact O-N 3.01Å; A308-T311 PolarHBondContact O-N 2.82Å; A308-A312 WeakPolarHBondContact O-CB 3.41Å; A308-A312 PolarHBondContact O-N 3.14Å
309	K	98.3	Very high	98.3	Very high	119 Å²	119	47.1 Å²	47.1	52%	0.517	26%	0.259	S	S	.	.	H	α-helix	trans	-64.5	-39.2	177.8	-77.7	173.6	169.4	168.8	0	112.6	E305 E306 S313	E305-K309 HydrophobicContact CG-CD 4.18Å; E305-K309 WeakPolarHBondContact O-CB 3.21Å; E305-K309 WeakPolarHBondContact O-CG 3.29Å; E305-K309 PolarHBondContact O-N 3.07Å; E305-K309 WeakPolarHBondContact OE1-CE 3.33Å; E305-K309 IonicContact OE1-NZ 3.19Å; E305-K309 PolarHBondContact OE1-NZ 3.19Å; E306-K309 PolarHBondContact O-N 3.13Å; K309-S313 VanDerWaalsContact O-CB 3.24Å; K309-S313 WeakPolarHBondContact O-CB 3.4Å; K309-S313 PolarHBondContact O-N 2.88Å; K309-S313 PolarHBondContact O-OG 3.36Å
310	A	98.4	Very high	98.3	Very high	50 Å²	50	45.7 Å²	45.7	41%	0.413	25%	0.249	S	C	.	.	H	α-helix	trans	-62.8	-47.8	177.7	0	0	0	0	0	110.9	E306 E307 S313 L314	E306-A310 VanDerWaalsContact O-CB 3.22Å; E306-A310 WeakPolarHBondContact O-CB 3.35Å; E306-A310 PolarHBondContact O-N 3.04Å; E307-A310 PolarHBondContact O-N 3.31Å; A310-S313 PolarHBondContact O-N 3.48Å; A310-L314 WeakPolarHBondContact O-CB 3.06Å; A310-L314 PolarHBondContact O-N 2.86Å
311	T	98.8	Very high	98.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.7	-46.1	177.6	-50.9	0	0	0	0	111.3	I252 A260 P261 A262 V297 E307 A308 S313 L314 A315	I252-T311 HydrophobicContact CG1-CG2 3.87Å; A260-T311 HydrophobicContact CB-CG2 3.99Å; P261-T311 WeakPolarHBondContact CD-OG1 3.46Å; A262-T311 HydrophobicContact CB-CG2 3.98Å; A262-T311 VanDerWaalsContact CB-OG1 3.32Å; A262-T311 WeakPolarHBondContact CB-OG1 3.37Å; A262-T311 PolarHBondContact N-OG1 3.06Å; V297-T311 HydrophobicContact CG1-CG2 4.31Å; E307-T311 PolarHBondContact O-N 3.39Å; E307-T311 PolarHBondContact O-OG1 3.42Å; A308-T311 PolarHBondContact O-N 2.82Å; T311-S313 PolarHBondContact O-N 3.36Å; T311-L314 WeakPolarHBondContact O-CB 3.38Å; T311-L314 PolarHBondContact O-N 3.29Å; T311-A315 WeakPolarHBondContact O-CB 3.42Å; T311-A315 PolarHBondContact O-N 2.74Å
312	A	98.8	Very high	98.3	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.033	21%	0.211	C	C	.	.	H	α-helix	trans	-64.4	-37	177.3	0	0	0	0	0	112.9	A48 A52 A308 A315 V316	A48-A312 HydrophobicContact CB-CB 4.27Å; A52-A312 HydrophobicContact CB-CB 4.04Å; A308-A312 WeakPolarHBondContact O-CB 3.41Å; A308-A312 PolarHBondContact O-N 3.14Å; A312-A315 VanDerWaalsContact O-CB 3.25Å; A312-A315 WeakPolarHBondContact O-CB 3.15Å; A312-A315 PolarHBondContact O-N 3.31Å; A312-V316 WeakPolarHBondContact O-CG2 3.04Å; A312-V316 PolarHBondContact O-N 2.94Å
313	S	98.7	Very high	98.3	Very high	51 Å²	51	37.2 Å²	37.2	36%	0.357	21%	0.205	S	C	.	.	H	α-helix	trans	-69.1	-39.2	176.3	-59.3	0	0	0	0	111.8	K309 A310 T311 A315 V316 D317	K309-S313 VanDerWaalsContact O-CB 3.24Å; K309-S313 WeakPolarHBondContact O-CB 3.4Å; K309-S313 PolarHBondContact O-N 2.88Å; K309-S313 PolarHBondContact O-OG 3.36Å; A310-S313 PolarHBondContact O-N 3.48Å; T311-S313 PolarHBondContact O-N 3.36Å; S313-A315 VanDerWaalsContact C-N 3.33Å; S313-V316 WeakPolarHBondContact O-CB 3.37Å; S313-V316 PolarHBondContact O-N 3.11Å; S313-D317 PolarHBondContact O-N 3.3Å
314	L	98.9	Very high	98.2	Very high	9 Å²	9	31.5 Å²	31.5	5%	0.047	17%	0.171	C	C	.	.	H	α-helix	trans	-60.9	-44.8	174.1	179	56.3	0	0	0	111.5	I252 F255 L259 A260 Y273 A310 T311 V316 D317 V318	I252-L314 HydrophobicContact CD1-CD2 4.43Å; I252-L314 HydrophobicContact CD1-CG 4.23Å; F255-L314 HydrophobicContact CB-CD2 4.27Å; F255-L314 HydrophobicContact CD1-CD2 4.27Å; F255-L314 HydrophobicContact CD2-CD2 3.72Å; F255-L314 HydrophobicContact CD2-CG 4.17Å; F255-L314 HydrophobicContact CE1-CD1 4.26Å; F255-L314 HydrophobicContact CE2-CD1 4.11Å; F255-L314 HydrophobicContact CE2-CD2 4.02Å; F255-L314 HydrophobicContact CE2-CG 3.97Å; F255-L314 HydrophobicContact CG-CD2 3.84Å; F255-L314 HydrophobicContact CZ-CD1 3.9Å; F255-L314 HydrophobicContact CZ-CD2 4.41Å; F255-L314 HydrophobicContact CZ-CG 4.28Å; L259-L314 HydrophobicContact CB-CD2 3.93Å; A260-L314 HydrophobicContact CB-CD2 4.11Å; Y273-L314 HydrophobicContact CD2-CD1 3.42Å; Y273-L314 VanDerWaalsContact CD2-CD1 3.42Å; Y273-L314 HydrophobicContact CE2-CD1 3.58Å; A310-L314 WeakPolarHBondContact O-CB 3.06Å; A310-L314 PolarHBondContact O-N 2.86Å; T311-L314 WeakPolarHBondContact O-CB 3.38Å; T311-L314 PolarHBondContact O-N 3.29Å; L314-V316 VanDerWaalsContact C-N 3.33Å; L314-V316 PolarHBondContact O-N 2.99Å; L314-D317 WeakPolarHBondContact O-CB 3.44Å; L314-D317 PolarHBondContact O-N 3.02Å; L314-D317 VanDerWaalsContact O-N 3.11Å; L314-V318 WeakPolarHBondContact O-CG2 3.45Å; L314-V318 PolarHBondContact O-N 3.39Å
315	A	98.9	Very high	98.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-52.5	-47.6	170.6	0	0	0	0	0	112.7	V49 I252 L294 V297 T311 A312 S313 D317 V318 I319	V49-A315 HydrophobicContact CG2-CB 3.87Å; I252-A315 HydrophobicContact CD1-CB 4.12Å; L294-A315 HydrophobicContact CD1-CB 4.35Å; L294-A315 HydrophobicContact CD2-CB 3.23Å; L294-A315 HydrophobicContact CG-CB 4.24Å; V297-A315 HydrophobicContact CG2-CB 4.07Å; T311-A315 WeakPolarHBondContact O-CB 3.42Å; T311-A315 PolarHBondContact O-N 2.74Å; A312-A315 VanDerWaalsContact O-CB 3.25Å; A312-A315 WeakPolarHBondContact O-CB 3.15Å; A312-A315 PolarHBondContact O-N 3.31Å; S313-A315 VanDerWaalsContact C-N 3.33Å; A315-D317 VanDerWaalsContact C-N 3.34Å; A315-D317 PolarHBondContact O-N 3.02Å; A315-V318 PolarHBondContact O-N 3.23Å; A315-I319 WeakPolarHBondContact O-CG1 3.33Å; A315-I319 PolarHBondContact O-N 2.92Å; A315-I319 VanDerWaalsContact O-N 3.16Å
316	V	98.9	Very high	97.9	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	15%	0.154	C	C	.	.	H	α-helix	trans	-61.9	-40.7	175.1	172.5	0	0	0	0	111.9	V49 A52 L54 R57 A312 S313 L314 I319 A320	V49-V316 HydrophobicContact CG1-CG2 3.88Å; V49-V316 WeakPolarHBondContact O-CG2 3.48Å; A52-V316 HydrophobicContact CB-CG2 3.8Å; L54-V316 HydrophobicContact CB-CG2 4.09Å; R57-V316 HydrophobicContact CB-CG1 4.21Å; R57-V316 HydrophobicContact CG-CG1 3.88Å; A312-V316 WeakPolarHBondContact O-CG2 3.04Å; A312-V316 PolarHBondContact O-N 2.94Å; S313-V316 WeakPolarHBondContact O-CB 3.37Å; S313-V316 PolarHBondContact O-N 3.11Å; L314-V316 VanDerWaalsContact C-N 3.33Å; L314-V316 PolarHBondContact O-N 2.99Å; V316-I319 PolarHBondContact O-N 2.64Å; V316-A320 VanDerWaalsContact O-CB 3.24Å; V316-A320 WeakPolarHBondContact O-CB 3.03Å; V316-A320 PolarHBondContact O-N 3.47Å
317	D	98.8	Very high	97.7	Very high	29 Å²	29	28 Å²	28	16%	0.155	15%	0.147	C	C	.	.	H	α-helix	trans	-64.4	-41.1	179.1	-75	-15.1	0	0	0	112.2	R57 Y273 S313 L314 A315 A320 S321	R57-D317 IonicContact CZ-OD1 2.67Å; R57-D317 IonicContact NH1-OD1 3.33Å; R57-D317 PolarHBondContact NH1-OD1 3.42Å; R57-D317 IonicContact NH2-OD1 3.79Å; R57-D317 PolarHBondContact NH2-OD1 3.44Å; Y273-D317 HydrophobicContact CE2-CB 4.4Å; Y273-D317 WeakPolarHBondContact CE2-OD2 3.28Å; Y273-D317 PolarHBondContact OH-OD2 3.17Å; S313-D317 PolarHBondContact O-N 3.3Å; L314-D317 WeakPolarHBondContact O-CB 3.44Å; L314-D317 PolarHBondContact O-N 3.02Å; L314-D317 VanDerWaalsContact O-N 3.11Å; A315-D317 VanDerWaalsContact C-N 3.34Å; A315-D317 PolarHBondContact O-N 3.02Å; D317-A320 PolarHBondContact O-N 3.09Å; D317-S321 WeakPolarHBondContact O-CB 3.41Å; D317-S321 PolarHBondContact O-N 2.81Å
318	V	98.8	Very high	97.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-58.1	-50.8	173.8	169.3	0	0	0	0	110.8	F250 F255 T280 L294 L314 A315 S322	F250-V318 HydrophobicContact CD1-CG1 4.27Å; F250-V318 HydrophobicContact CD2-CG1 3.68Å; F250-V318 HydrophobicContact CE1-CG1 4.5Å; F250-V318 HydrophobicContact CE1-CG2 4.4Å; F250-V318 HydrophobicContact CE2-CG1 3.91Å; F250-V318 HydrophobicContact CE2-CG2 4.45Å; F250-V318 HydrophobicContact CG-CG1 3.89Å; F250-V318 HydrophobicContact CZ-CG1 4.33Å; F250-V318 HydrophobicContact CZ-CG2 4.2Å; F255-V318 HydrophobicContact CE2-CG2 3.59Å; F255-V318 HydrophobicContact CZ-CG2 3.76Å; T280-V318 HydrophobicContact CG2-CG1 3.87Å; L294-V318 HydrophobicContact CD1-CB 4.22Å; L294-V318 HydrophobicContact CD1-CG1 3.93Å; L314-V318 WeakPolarHBondContact O-CG2 3.45Å; L314-V318 PolarHBondContact O-N 3.39Å; A315-V318 PolarHBondContact O-N 3.23Å; V318-S322 WeakPolarHBondContact O-CB 3.42Å; V318-S322 PolarHBondContact O-N 2.67Å; V318-S322 VanDerWaalsContact O-N 3.1Å; V318-S322 PolarHBondContact O-OG 3.23Å
319	I	98.8	Very high	96.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-50.6	-179.8	-61.2	167	0	0	0	109.9	V49 L54 L58 V114 V116 L292 L294 A315 V316 S321 S322 F323	V49-I319 HydrophobicContact CG1-CD1 4.29Å; L54-I319 HydrophobicContact CD1-CB 3.92Å; L54-I319 HydrophobicContact CD1-CD1 3.79Å; L54-I319 HydrophobicContact CD1-CG1 4.47Å; L54-I319 HydrophobicContact CD1-CG2 3.71Å; L54-I319 HydrophobicContact CD2-CD1 3.99Å; L58-I319 HydrophobicContact CD2-CG2 4.31Å; V114-I319 HydrophobicContact CG1-CD1 4.19Å; V114-I319 HydrophobicContact CG1-CG2 4.09Å; V114-I319 HydrophobicContact CG2-CG2 4.29Å; V116-I319 HydrophobicContact CG2-CD1 4.23Å; L292-I319 HydrophobicContact CD2-CG1 3.9Å; L294-I319 HydrophobicContact CB-CD1 4.05Å; L294-I319 HydrophobicContact CB-CG1 4.17Å; L294-I319 HydrophobicContact CD2-CD1 3.47Å; L294-I319 VanDerWaalsContact CD2-CD1 3.47Å; L294-I319 HydrophobicContact CD2-CG1 3.98Å; L294-I319 HydrophobicContact CG-CD1 4.29Å; L294-I319 HydrophobicContact CG-CG1 4.44Å; A315-I319 WeakPolarHBondContact O-CG1 3.33Å; A315-I319 PolarHBondContact O-N 2.92Å; A315-I319 VanDerWaalsContact O-N 3.16Å; V316-I319 PolarHBondContact O-N 2.64Å; I319-S321 VanDerWaalsContact C-N 3.32Å; I319-S321 PolarHBondContact O-N 3.1Å; I319-S322 VanDerWaalsContact O-CB 3.31Å; I319-S322 WeakPolarHBondContact O-CB 3.16Å; I319-S322 PolarHBondContact O-N 3.42Å; I319-S322 VanDerWaalsContact O-N 3.13Å; I319-F323 HydrophobicContact CG2-CD2 4.01Å; I319-F323 HydrophobicContact CG2-CE2 4.07Å; I319-F323 VanDerWaalsContact O-CD2 3.26Å; I319-F323 WeakPolarHBondContact O-CD2 3.49Å; I319-F323 PolarHBondContact O-N 3.27Å
320	A	98.3	Very high	95.9	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-62.5	-38.5	-176.7	0	0	0	0	0	112.5	R57 L61 V316 D317 S322 F323 G324 Q325	R57-A320 HydrophobicContact CB-CB 4.47Å; L61-A320 HydrophobicContact CD1-CB 4.17Å; L61-A320 WeakPolarHBondContact CD1-O 3.41Å; V316-A320 VanDerWaalsContact O-CB 3.24Å; V316-A320 WeakPolarHBondContact O-CB 3.03Å; V316-A320 PolarHBondContact O-N 3.47Å; D317-A320 PolarHBondContact O-N 3.09Å; A320-S322 VanDerWaalsContact C-N 3.34Å; A320-F323 CarbonylContact O-C 3.53Å; A320-F323 PolarHBondContact O-N 3.29Å; A320-G324 PolarHBondContact O-N 3.28Å; A320-Q325 HydrophobicContact CB-CB 4.23Å; A320-Q325 WeakPolarHBondContact O-CB 3.16Å; A320-Q325 PolarHBondContact O-N 2.61Å
321	S	98.1	Very high	94.8	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.028	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-38.9	175.3	-171	0	0	0	0	112.1	T280 E281 D317 I319 F323 G324 Q325	T280-S321 WeakPolarHBondContact OG1-CB 3.5Å; T280-S321 PolarHBondContact OG1-OG 3.02Å; E281-S321 WeakPolarHBondContact CG-OG 3.42Å; D317-S321 WeakPolarHBondContact O-CB 3.41Å; D317-S321 PolarHBondContact O-N 2.81Å; I319-S321 VanDerWaalsContact C-N 3.32Å; I319-S321 PolarHBondContact O-N 3.1Å; S321-F323 PolarHBondContact O-N 3.4Å; S321-F323 VanDerWaalsContact O-N 3.15Å; S321-G324 PolarHBondContact O-N 2.78Å; S321-Q325 PolarHBondContact OG-O 3.46Å
322	S	98.3	Very high	93.7	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.007	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-24.1	174.1	-56.4	0	0	0	0	113.4	T280 H284 L289 L292 V318 I319 A320	T280-S322 VanDerWaalsContact CB-OG 3.3Å; T280-S322 WeakPolarHBondContact CB-OG 3.4Å; T280-S322 WeakPolarHBondContact CG2-OG 3.22Å; H284-S322 WeakPolarHBondContact CB-O 3.23Å; H284-S322 PolarHBondContact ND1-O 3.4Å; L289-S322 WeakPolarHBondContact CD2-O 3.4Å; L292-S322 WeakPolarHBondContact CD1-OG 3.22Å; V318-S322 WeakPolarHBondContact O-CB 3.42Å; V318-S322 PolarHBondContact O-N 2.67Å; V318-S322 VanDerWaalsContact O-N 3.1Å; V318-S322 PolarHBondContact O-OG 3.23Å; I319-S322 VanDerWaalsContact O-CB 3.31Å; I319-S322 WeakPolarHBondContact O-CB 3.16Å; I319-S322 PolarHBondContact O-N 3.42Å; I319-S322 VanDerWaalsContact O-N 3.13Å; A320-S322 VanDerWaalsContact C-N 3.34Å
323	F	97.2	Very high	92.7	Very high	11 Å²	11	42.7 Å²	42.7	5%	0.048	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	14.4	176.1	-69.7	-76.6	0	0	0	114.2	V26 L58 L61 V114 L289 L292 I319 A320 S321	V26-F323 HydrophobicContact CG1-CE1 4.23Å; V26-F323 HydrophobicContact CG1-CE2 4.36Å; V26-F323 HydrophobicContact CG1-CZ 4.02Å; V26-F323 HydrophobicContact CG2-CD1 3.59Å; V26-F323 HydrophobicContact CG2-CE1 3.52Å; V26-F323 HydrophobicContact CG2-CG 4.27Å; V26-F323 HydrophobicContact CG2-CZ 4.16Å; L58-F323 HydrophobicContact CD2-CB 3.91Å; L58-F323 HydrophobicContact CD2-CD2 3.82Å; L58-F323 HydrophobicContact CD2-CG 4.05Å; L61-F323 HydrophobicContact CD1-CB 4.42Å; V114-F323 HydrophobicContact CG2-CD2 4.37Å; V114-F323 HydrophobicContact CG2-CE2 3.26Å; V114-F323 HydrophobicContact CG2-CZ 3.48Å; V114-F323 VanDerWaalsContact CG2-CZ 3.48Å; L289-F323 HydrophobicContact CD2-CE1 4.25Å; L289-F323 HydrophobicContact CD2-CE2 4.32Å; L289-F323 HydrophobicContact CD2-CZ 4.02Å; L292-F323 HydrophobicContact CD1-CE2 4.45Å; I319-F323 HydrophobicContact CG2-CD2 4.01Å; I319-F323 HydrophobicContact CG2-CE2 4.07Å; I319-F323 VanDerWaalsContact O-CD2 3.26Å; I319-F323 WeakPolarHBondContact O-CD2 3.49Å; I319-F323 PolarHBondContact O-N 3.27Å; A320-F323 CarbonylContact O-C 3.53Å; A320-F323 PolarHBondContact O-N 3.29Å; S321-F323 PolarHBondContact O-N 3.4Å; S321-F323 VanDerWaalsContact O-N 3.15Å
324	G	94.8	Very high	91.9	Very high	3 Å²	3	47.8 Å²	47.8	3%	0.031	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	107.1	13.5	165.5	0	0	0	0	0	115.9	H284 A320 S321 T326	H284-G324 VanDerWaalsContact CD2-CA 3.44Å; H284-G324 WeakPolarHBondContact CD2-CA 3.45Å; H284-G324 WeakPolarHBondContact CE1-CA 3.24Å; H284-G324 PolarHBondContact ND1-N 3.31Å; H284-G324 VanDerWaalsContact NE2-CA 3.29Å; H284-G324 WeakPolarHBondContact NE2-CA 3.19Å; A320-G324 PolarHBondContact O-N 3.28Å; S321-G324 PolarHBondContact O-N 2.78Å; G324-T326 PolarHBondContact O-N 3.26Å
325	Q	95.3	Very high	91.1	Very high	53 Å²	53	53.8 Å²	53.8	25%	0.248	29%	0.285	C	S	.	.			trans	-67.4	123.1	163.3	-169.3	170.3	-5.4	0	0	110.3	L61 A320 S321	L61-Q325 HydrophobicContact CD1-CB 4.15Å; L61-Q325 HydrophobicContact CD2-CB 3.93Å; L61-Q325 HydrophobicContact CD2-CG 4.48Å; A320-Q325 HydrophobicContact CB-CB 4.23Å; A320-Q325 WeakPolarHBondContact O-CB 3.16Å; A320-Q325 PolarHBondContact O-N 2.61Å; S321-Q325 PolarHBondContact OG-O 3.46Å
326	T	92.6	Very high	90.4	Very high	44 Å²	44	60.6 Å²	60.6	27%	0.27	32%	0.317	S	S	.	.			trans	-107.4	150.2	-179.7	57.7	0	0	0	0	111	G324 G329	G324-T326 PolarHBondContact O-N 3.26Å; T326-G329 VanDerWaalsContact OG1-C 3.24Å; T326-G329 WeakPolarHBondContact OG1-CA 3.06Å; T326-G329 PolarHBondContact OG1-N 2.87Å; T326-G329 PolarHBondContact OG1-O 2.9Å
327	R	94.9	Very high	89.8	Confident	129 Å²	129	67 Å²	67	49%	0.487	35%	0.351	S	S	.	.	S	Bend	trans	-74.1	-26.4	172.9	-69.2	172.6	-68.1	173.1	4.9	113.9	V277 E281	V277-R327 HydrophobicContact CG1-CG 4.02Å; E281-R327 WeakPolarHBondContact OE1-CG 3.41Å; E281-R327 IonicContact OE1-CZ 2.68Å; E281-R327 PolarHBondContact OE1-N 2.83Å; E281-R327 IonicContact OE1-NE 3.72Å; E281-R327 PolarHBondContact OE1-NE 3.01Å; E281-R327 IonicContact OE1-NH2 2.76Å; E281-R327 IonicContact OE2-CZ 2.76Å; E281-R327 VanDerWaalsContact OE2-CZ 3.32Å; E281-R327 IonicContact OE2-NE 3.32Å; E281-R327 PolarHBondContact OE2-NE 2.78Å; E281-R327 IonicContact OE2-NH2 3.71Å; E281-R327 PolarHBondContact OE2-NH2 2.78Å
328	E	92.7	Very high	89.3	Confident	190 Å²	190	70.5 Å²	70.5	89%	0.888	38%	0.375	S	S	*	.	S	Bend	trans	-87.2	-4.1	178.5	65.4	-179.2	-147.9	0	0	114.1
329	G	86.5	Confident	88.8	Confident	28 Å²	28	76.6 Å²	76.6	29%	0.289	41%	0.412	S	S	.	.			trans	79.4	-161.7	-172.9	0	0	0	0	0	113.2	T326 H331	T326-G329 VanDerWaalsContact OG1-C 3.24Å; T326-G329 WeakPolarHBondContact OG1-CA 3.06Å; T326-G329 PolarHBondContact OG1-N 2.87Å; T326-G329 PolarHBondContact OG1-O 2.9Å; G329-H331 PolarHBondContact O-N 3.36Å
330	G	76.8	Confident	88.2	Confident	75 Å²	75	82.4 Å²	82.4	77%	0.773	45%	0.45	S	S	*	.			trans	79.7	9	177.9	0	0	0	0	0	116.1	I332	G330-I332 VanDerWaalsContact C-N 3.27Å; G330-I332 PolarHBondContact O-N 3.07Å
331	H	75.3	Confident	87.3	Confident	74 Å²	74	87.8 Å²	87.8	34%	0.343	49%	0.488	S	S	.	.	S	Bend	trans	-71.7	-21.1	173.7	56.4	-84.7	0	0	0	113	L61 G329	L61-H331 HydrophobicContact CD2-CB 4.32Å; G329-H331 PolarHBondContact O-N 3.36Å
332	I	76.1	Confident	85.8	Confident	102 Å²	102	91.3 Å²	91.3	52%	0.523	51%	0.512	S	S	.	.	S	Bend	trans	-106.6	127.7	170.4	-59.4	174.8	0	0	0	108.1	G330 Y334	G330-I332 VanDerWaalsContact C-N 3.27Å; G330-I332 PolarHBondContact O-N 3.07Å; I332-Y334 PolarHBondContact O-N 2.94Å
333	V	77.4	Confident	84.1	Confident	91 Å²	91	97.1 Å²	97.1	55%	0.552	55%	0.55	S	S	*	*			trans	-69.6	126.5	175.2	-175.9	0	0	0	0	109	L19 D335	L19-V333 HydrophobicContact CD2-CG1 4.35Å; V333-D335 VanDerWaalsContact CG1-OD1 3.25Å; V333-D335 WeakPolarHBondContact CG1-OD1 3.46Å
334	Y	81.9	Confident	82.2	Confident	158 Å²	158	103.5 Å²	103.5	62%	0.62	58%	0.584	S	S	*	*			trans	-119.9	101.5	177.2	-168	-92.1	0	0	0	109.1	I332 H336 L337 P338	I332-Y334 PolarHBondContact O-N 2.94Å; Y334-H336 WeakPolarHBondContact CE1-O 3.44Å; Y334-L337 HydrophobicContact CE1-CD2 3.92Å; Y334-L337 HydrophobicContact CE1-CG 4.47Å; Y334-P338 VanDerWaalsContact OH-CD 3.32Å; Y334-P338 WeakPolarHBondContact OH-CD 3.17Å
335	D	82.1	Confident	80.3	Confident	135 Å²	135	111.9 Å²	111.9	72%	0.722	62%	0.623	S	S	*	*			trans	-79.4	-29.7	-164.7	-67.2	-42.6	0	0	0	114.7	V333	V333-D335 VanDerWaalsContact CG1-OD1 3.25Å; V333-D335 WeakPolarHBondContact CG1-OD1 3.46Å
336	H	84.3	Confident	78.2	Confident	144 Å²	144	114.6 Å²	114.6	67%	0.667	65%	0.648	S	S	*	*			trans	-153.1	143.2	-172.4	57.2	-79.4	0	0	0	112	Y334	Y334-H336 WeakPolarHBondContact CE1-O 3.44Å
337	L	87.4	Confident	76.1	Confident	137 Å²	137	120.9 Å²	120.9	72%	0.717	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-82	137	169.2	-70.5	167.3	0	0	0	109.7	Y334 T339	Y334-L337 HydrophobicContact CE1-CD2 3.92Å; Y334-L337 HydrophobicContact CE1-CG 4.47Å; L337-T339 PolarHBondContact O-N 2.84Å
338	P	87.3	Confident	73.8	Confident	101 Å²	101	122.2 Å²	122.2	66%	0.656	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-55.6	135.8	170.1	-23.6	32.6	0	0	0	110.6	Y334	Y334-P338 VanDerWaalsContact OH-CD 3.32Å; Y334-P338 WeakPolarHBondContact OH-CD 3.17Å
339	T	88.4	Confident	71.6	Confident	128 Å²	128	122.9 Å²	122.9	79%	0.785	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-97.3	133.9	173.3	-54.3	0	0	0	0	109	L337 S341	L337-T339 PolarHBondContact O-N 2.84Å; T339-S341 PolarHBondContact O-N 3.35Å
340	P	86.4	Confident	69.8	Low	123 Å²	123	126.2 Å²	126.2	80%	0.799	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-59.5	129.6	175	-21.7	32.3	0	0	0	111.1
341	S	78.5	Confident	68.5	Low	113 Å²	113	133.5 Å²	133.5	79%	0.79	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-82.5	121.9	166.7	52.3	0	0	0	0	109.2	T339	T339-S341 PolarHBondContact O-N 3.35Å
342	S	67.2	Low	67.1	Low	78 Å²	78	136.1 Å²	136.1	55%	0.545	74%	0.743	S	S	.	*	P	Polyproline II helix	trans	-65	136.4	166.4	45	0	0	0	0	109.3	D344	S342-D344 PolarHBondContact O-N 3.32Å; S342-D344 VanDerWaalsContact O-N 3.12Å
343	P	63.3	Low	65.6	Low	123 Å²	123	143.3 Å²	143.3	80%	0.799	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-0.1	179	-18.3	30.9	0	0	0	115.7
344	D	57	Low	64.1	Low	144 Å²	144	150 Å²	150	77%	0.77	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.8	9.4	-155.6	-104.1	-15	0	0	0	116.8	S342	S342-D344 PolarHBondContact O-N 3.32Å; S342-D344 VanDerWaalsContact O-N 3.12Å
345	E	54.7	Low	63.2	Low	180 Å²	180	149.7 Å²	149.7	84%	0.841	80%	0.803	S	S	*	*	S	Bend	trans	-106.7	9.4	-178	-69.8	-164.9	171.2	0	0	115.7
346	S	50.6	Low	62.2	Low	110 Å²	110	150.4 Å²	150.4	77%	0.769	81%	0.808	S	S	*	*	S	Bend	trans	-108	3.8	179.6	63.4	0	0	0	0	116.7
347	E	48.8	Very low	61	Low	176 Å²	176	150.8 Å²	150.8	82%	0.822	82%	0.815	S	S	*	*	S	Bend	trans	-111	-2.9	-178.5	-74.4	-160.8	162.2	0	0	116.6
348	N	46.7	Very low	59.4	Low	156 Å²	156	151.6 Å²	151.6	83%	0.834	82%	0.821	S	S	*	*	S	Bend	trans	-100.1	2.7	-172.8	-93.9	-21.7	0	0	0	117.7
349	E	47.4	Very low	57.7	Low	205 Å²	205	154.8 Å²	154.8	96%	0.958	83%	0.831	S	S	*	*	S	Bend	trans	-95	-0.1	177.8	-75.4	-164.5	155.6	0	0	115.5
350	A	47.7	Very low	55.7	Low	97 Å²	97	156.5 Å²	156.5	80%	0.802	84%	0.835	S	S	*	*	S	Bend	trans	-94.6	6.2	-176.4	0	0	0	0	0	115.9
351	R	49.9	Very low	53.5	Low	229 Å²	229	158.9 Å²	158.9	86%	0.864	84%	0.837	S	S	*	*			trans	-141.1	84.2	179.2	-72.9	-175.3	176.1	179.5	0.8	112.2
352	V	46.8	Very low	51.5	Low	128 Å²	128	162.5 Å²	162.5	78%	0.776	84%	0.841	S	S	*	*				-170.3	98.7	128.9	178.1	0	0	0	0	107.6
353	R	43	Very low	50.2	Low	254 Å²	254	169.5 Å²	169.5	96%	0.958	87%	0.865	S	S	*	*			trans	-140	104.2	142.5	-74.5	-166	-178.1	-179.6	1.5	106.5
354	I	46.8	Very low	49	Very low	232 Å²	232	173.7 Å²	173.7	100%	1.19	87%	0.871	S	S	*	*			trans	-78.7	0	167.6	-61.1	173	0	0	0	107.6

Retrieved 354 of 354 residues in 133.3 ms (Link to these results)

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