LYZL4_HUMAN Loading...

Lysozyme-like protein 4

May be involved in fertilization (By similarity). Has no detectable bacteriolytic and lysozyme activities in vitro (By similarity).

AlphaFold DB , UniProt , Accession Q96KX0, Species HUMAN (Homo sapiens, Human), Gene LYZL4, Length 146 aa.

						>LYZL4_HUMAN|Q96KX0|LYZL4
MKASVVLSLLGYLVVPSGAYILGRCTVAKKLHDGGLDYFEGYSLENWVCLAYFESKFNPMAIYENTREGYTGFGLFQMRGSDWCGDHGRNRCHMSCSALLNPNLEKTIKCAKTIVKGKEGMGAWPTWSRYCQYSDTLARWLDGCKL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	48.4	Very low	62.5	Low	247 Å²	247	136.7 Å²	136.7	100%	1.217	80%	0.8	S	S	*	*				0	138.4	0	-73.8	170.6	168.1	0	0	108	A3	M1-A3 PolarHBondContact O-N 3.19Å
2	K	50.8	Low	62.9	Low	204 Å²	204	142.3 Å²	142.3	89%	0.887	80%	0.8	S	S	*	*			trans	-68.7	123.9	-163.6	-65.3	-175.7	175	-175.4	0	111.9	S4	K2-S4 PolarHBondContact O-N 3.18Å
3	A	55	Low	63.3	Low	96 Å²	96	143.6 Å²	143.6	79%	0.793	80%	0.803	S	S	*	*			trans	-76.4	98.1	171.1	0	0	0	0	0	109	M1 V5	M1-A3 PolarHBondContact O-N 3.19Å; A3-V5 PolarHBondContact O-N 2.95Å
4	S	67.3	Low	63.5	Low	104 Å²	104	142.6 Å²	142.6	73%	0.727	80%	0.801	S	S	*	*			trans	-79.1	102.4	170.3	-70.6	0	0	0	0	108.6	K2 V6	K2-S4 PolarHBondContact O-N 3.18Å; S4-V6 PolarHBondContact O-N 3Å; S4-V6 VanDerWaalsContact O-N 3.11Å
5	V	61.5	Low	63.7	Low	130 Å²	130	140.1 Å²	140.1	79%	0.788	79%	0.791	S	S	*	*			trans	-71.3	98.6	169.4	179.1	0	0	0	0	107.3	A3 L7	A3-V5 PolarHBondContact O-N 2.95Å; V5-L7 PolarHBondContact O-N 2.73Å
6	V	69	Low	63.4	Low	119 Å²	119	137.8 Å²	137.8	72%	0.721	78%	0.783	S	S	*	*			trans	-79.6	103	173.6	-174.1	0	0	0	0	107.3	S4 S8	S4-V6 PolarHBondContact O-N 3Å; S4-V6 VanDerWaalsContact O-N 3.11Å; V6-S8 PolarHBondContact O-N 3.26Å
7	L	63.8	Low	63.1	Low	145 Å²	145	136.8 Å²	136.8	76%	0.759	79%	0.786	S	S	*	*			trans	-72.4	92.4	175.7	-169.1	72	0	0	0	108.6	V5 L9	V5-L7 PolarHBondContact O-N 2.73Å; L7-L9 PolarHBondContact O-N 3.17Å
8	S	68.2	Low	62.8	Low	98 Å²	98	131.3 Å²	131.3	69%	0.685	77%	0.765	S	S	*	*			trans	-68.6	93	177.3	-63.4	0	0	0	0	110.7	V6 L10	V6-S8 PolarHBondContact O-N 3.26Å; S8-L10 VanDerWaalsContact C-N 3.26Å; S8-L10 PolarHBondContact O-N 3.07Å
9	L	64.5	Low	62.9	Low	159 Å²	159	128.9 Å²	128.9	83%	0.832	76%	0.762	S	S	*	*			trans	-71.7	85	165.6	-80.9	152.6	0	0	0	108.4	L7 G11	L7-L9 PolarHBondContact O-N 3.17Å; L9-G11 VanDerWaalsContact C-N 3.25Å; L9-G11 PolarHBondContact O-N 3.28Å
10	L	68	Low	63.6	Low	136 Å²	136	128.2 Å²	128.2	71%	0.712	75%	0.746	S	S	*	*			trans	-66	91.3	163.3	-76.6	162.7	0	0	0	107.3	S8 Y12	S8-L10 VanDerWaalsContact C-N 3.26Å; S8-L10 PolarHBondContact O-N 3.07Å; L10-Y12 WeakPolarHBondContact O-CD2 3.44Å; L10-Y12 PolarHBondContact O-N 3.04Å
11	G	70.9	Confident	65.2	Low	66 Å²	66	126.4 Å²	126.4	68%	0.68	73%	0.733	S	S	*	*			trans	-61.9	101.3	167.2	0	0	0	0	0	108.2	L9 L13	L9-G11 VanDerWaalsContact C-N 3.25Å; L9-G11 PolarHBondContact O-N 3.28Å; G11-L13 VanDerWaalsContact C-N 3.35Å; G11-L13 PolarHBondContact O-N 3.13Å
12	Y	67.2	Low	67.5	Low	204 Å²	204	115.9 Å²	115.9	80%	0.8	68%	0.681	S	S	*	*			trans	-61.7	100.4	170.3	-66.1	-84.5	0	0	0	107.5	L10 V14	L10-Y12 WeakPolarHBondContact O-CD2 3.44Å; L10-Y12 PolarHBondContact O-N 3.04Å; Y12-V14 PolarHBondContact O-N 3.38Å
13	L	67.9	Low	69.7	Low	159 Å²	159	108.1 Å²	108.1	83%	0.832	66%	0.659	S	S	*	*			trans	-62.9	96.1	163.7	-70.7	172.1	0	0	0	105.9	G11 V15	G11-L13 VanDerWaalsContact C-N 3.35Å; G11-L13 PolarHBondContact O-N 3.13Å; L13-V15 PolarHBondContact O-N 3.28Å
14	V	66	Low	71.8	Confident	129 Å²	129	107.2 Å²	107.2	78%	0.782	64%	0.635	S	S	*	*			trans	-66	88.2	163.2	179.4	0	0	0	0	104.9	Y12 P16	Y12-V14 PolarHBondContact O-N 3.38Å; V14-P16 VanDerWaalsContact O-CD 3.26Å; V14-P16 WeakPolarHBondContact O-CD 3.41Å
15	V	67.5	Low	73.3	Confident	106 Å²	106	104.2 Å²	104.2	64%	0.642	61%	0.614	S	S	*	*			trans	-60.8	119.4	166.7	-179.4	0	0	0	0	104.7	L13 S17	L13-V15 PolarHBondContact O-N 3.28Å; V15-S17 PolarHBondContact O-N 3.24Å
16	P	57.7	Low	75	Confident	103 Å²	103	101.3 Å²	101.3	67%	0.669	60%	0.596	S	S	*	*			trans	-57.2	109.7	177	-21.6	32.3	0	0	0	108	V14 G18	V14-P16 VanDerWaalsContact O-CD 3.26Å; V14-P16 WeakPolarHBondContact O-CD 3.41Å; P16-G18 PolarHBondContact O-N 3.17Å
17	S	59.9	Low	76.4	Confident	120 Å²	120	95.6 Å²	95.6	84%	0.839	56%	0.562	S	S	*	*			trans	-75.4	53	165.8	62.8	0	0	0	0	108.2	V15 A19	V15-S17 PolarHBondContact O-N 3.24Å; S17-A19 PolarHBondContact O-N 2.05Å
18	G	56.9	Low	78.1	Confident	39 Å²	39	88.7 Å²	88.7	40%	0.402	53%	0.526	S	S	.	.			trans	-66.2	129.5	173.6	0	0	0	0	0	107.7	P16 Y20	P16-G18 PolarHBondContact O-N 3.17Å; G18-Y20 WeakPolarHBondContact O-CD2 3.29Å; G18-Y20 PolarHBondContact O-N 3.1Å
19	A	63.9	Low	79.5	Confident	85 Å²	85	87.9 Å²	87.9	70%	0.702	51%	0.51	S	S	*	.			trans	-51.5	119.5	164.3	0	0	0	0	0	107.5	S17 I21	S17-A19 PolarHBondContact O-N 2.05Å; A19-I21 HydrophobicContact CB-CG1 4.21Å; A19-I21 PolarHBondContact O-N 2.76Å
20	Y	78.6	Confident	81.2	Confident	114 Å²	114	83.2 Å²	83.2	45%	0.447	48%	0.483	S	S	.	.			trans	-74	38.9	-172.3	-70.1	-87	0	0	0	112.8	G18 L22 P59 M60 P102	G18-Y20 WeakPolarHBondContact O-CD2 3.29Å; G18-Y20 PolarHBondContact O-N 3.1Å; Y20-L22 PolarHBondContact O-N 3.09Å; Y20-L22 VanDerWaalsContact O-N 3.14Å; Y20-P59 WeakPolarHBondContact O-CD 3.25Å; Y20-P59 WeakPolarHBondContact O-CG 2.79Å; Y20-M60 HydrophobicContact CD1-SD 4.38Å; Y20-M60 HydrophobicContact CD2-CE 4.29Å; Y20-M60 HydrophobicContact CD2-CG 4.42Å; Y20-M60 HydrophobicContact CD2-SD 3.13Å; Y20-M60 WeakPolarHBondContact CD2-SD 3.04Å; Y20-M60 HydrophobicContact CE2-CE 4.26Å; Y20-M60 HydrophobicContact CE2-SD 3.54Å; Y20-M60 VanDerWaalsContact CE2-SD 3.54Å; Y20-M60 HydrophobicContact CG-SD 3.61Å; Y20-P102 HydrophobicContact CD1-CG 3.56Å; Y20-P102 HydrophobicContact CE1-CG 4.18Å; Y20-P102 HydrophobicContact CG-CG 3.93Å
21	I	96.2	Very high	82.6	Confident	92 Å²	92	76.8 Å²	76.8	47%	0.472	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-66.2	116.3	178.4	-51.9	-55.8	0	0	0	108.9	A19 N58	A19-I21 HydrophobicContact CB-CG1 4.21Å; A19-I21 PolarHBondContact O-N 2.76Å; I21-N58 HydrophobicContact CD1-CB 3.43Å; I21-N58 VanDerWaalsContact CD1-CB 3.43Å
22	L	96.8	Very high	84	Confident	25 Å²	25	76.8 Å²	76.8	13%	0.131	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-81.5	141.2	176.9	-63	178.2	0	0	0	109.9	Y20 T26 V27 K30 F57 P59 P102 L104	Y20-L22 PolarHBondContact O-N 3.09Å; Y20-L22 VanDerWaalsContact O-N 3.14Å; L22-T26 HydrophobicContact CD2-CG2 4.31Å; L22-V27 HydrophobicContact CB-CG2 3.49Å; L22-V27 VanDerWaalsContact CB-CG2 3.49Å; L22-V27 HydrophobicContact CD1-CG2 4.11Å; L22-V27 HydrophobicContact CG-CG2 4.45Å; L22-K30 HydrophobicContact CD1-CD 4.22Å; L22-F57 PolarHBondContact N-O 3.06Å; L22-F57 WeakPolarHBondContact O-CB 3.32Å; L22-P59 HydrophobicContact CD1-CB 4.18Å; L22-P59 HydrophobicContact CD1-CG 4.04Å; L22-P59 HydrophobicContact CG-CG 4.04Å; L22-P102 HydrophobicContact CD2-CB 4.46Å; L22-L104 HydrophobicContact CD1-CD1 4.08Å; L22-L104 HydrophobicContact CD1-CG 4.43Å
23	G	97.4	Very high	85.5	Confident	41 Å²	41	71.9 Å²	71.9	42%	0.423	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-64.9	148.3	171.2	0	0	0	0	0	111.3	C25 T26 V27	G23-C25 VanDerWaalsContact C-N 3.33Å; G23-C25 PolarHBondContact O-N 3.49Å; G23-T26 WeakPolarHBondContact O-CA 3.35Å; G23-T26 VanDerWaalsContact O-CB 3.3Å; G23-T26 WeakPolarHBondContact O-CB 3.29Å; G23-T26 PolarHBondContact O-N 3.39Å; G23-V27 PolarHBondContact O-N 3.37Å
24	R	98.2	Very high	86.9	Confident	77 Å²	77	65.5 Å²	65.5	29%	0.291	39%	0.392	S	S	.	.	H	α-helix	trans	-47.2	-51.2	179.9	178.4	178.3	58.3	85.2	-0.4	112.9	T26 V27 A28 V48 F57 W140 D142 C144	R24-T26 VanDerWaalsContact C-N 3.33Å; R24-T26 PolarHBondContact O-N 2.64Å; R24-V27 PolarHBondContact O-N 2.78Å; R24-A28 PolarHBondContact O-N 2.64Å; R24-V48 HydrophobicContact CG-CG1 4.03Å; R24-F57 HydrophobicContact CB-CE2 3.77Å; R24-F57 HydrophobicContact CB-CZ 4.15Å; R24-F57 HydrophobicContact CG-CE2 4.14Å; R24-F57 HydrophobicContact CG-CZ 4.04Å; R24-W140 WeakPolarHBondContact CD-O 3.35Å; R24-W140 HydrophobicContact CG-CE3 4.38Å; R24-W140 VanDerWaalsContact NH1-C 3.28Å; R24-W140 PolarHBondContact NH1-O 3.47Å; R24-D142 PolarHBondContact NH1-O 3.12Å; R24-D142 PolarHBondContact NH2-O 3.14Å; R24-C144 PolarHBondContact NH1-SG 2.98Å
25	C	98.6	Very high	88.5	Confident	42 Å²	42	61 Å²	61	28%	0.284	37%	0.371	S	S	.	.	H	α-helix	trans	-70.7	-28	-179.8	-63.3	0	0	0	0	113.5	G23 A28 K29 C144	G23-C25 VanDerWaalsContact C-N 3.33Å; G23-C25 PolarHBondContact O-N 3.49Å; C25-A28 PolarHBondContact O-N 3.27Å; C25-K29 WeakPolarHBondContact O-CB 3.03Å; C25-K29 PolarHBondContact O-N 2.94Å; C25-C144 WeakPolarHBondContact CA-SG 3.09Å; C25-C144 HydrophobicContact CB-CB 3.69Å; C25-C144 WeakPolarHBondContact CB-SG 3.28Å; C25-C144 WeakPolarHBondContact SG-CA 3.42Å; C25-C144 WeakPolarHBondContact SG-CB 3.25Å; C25-C144 CovalentContact SG-SG 2.05Å; C25-C144 PolarHBondContact SG-SG 2.86Å
26	T	98.1	Very high	90	Very high	68 Å²	68	55.9 Å²	55.9	42%	0.417	34%	0.34	S	S	.	.	H	α-helix	trans	-66.6	-42.1	171.6	-53.6	0	0	0	0	110.9	L22 G23 R24 K30	L22-T26 HydrophobicContact CD2-CG2 4.31Å; G23-T26 WeakPolarHBondContact O-CA 3.35Å; G23-T26 VanDerWaalsContact O-CB 3.3Å; G23-T26 WeakPolarHBondContact O-CB 3.29Å; G23-T26 PolarHBondContact O-N 3.39Å; R24-T26 VanDerWaalsContact C-N 3.33Å; R24-T26 PolarHBondContact O-N 2.64Å; T26-K30 HydrophobicContact CG2-CD 4.2Å; T26-K30 WeakPolarHBondContact O-CB 3.42Å; T26-K30 VanDerWaalsContact O-CG 3.31Å; T26-K30 WeakPolarHBondContact O-CG 3.41Å; T26-K30 PolarHBondContact O-N 3.4Å
27	V	98.6	Very high	91.9	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.9	-52.5	172.6	173.5	0	0	0	0	109.9	L22 G23 R24 K29 K30 L31 A51 F57 L75	L22-V27 HydrophobicContact CB-CG2 3.49Å; L22-V27 VanDerWaalsContact CB-CG2 3.49Å; L22-V27 HydrophobicContact CD1-CG2 4.11Å; L22-V27 HydrophobicContact CG-CG2 4.45Å; G23-V27 PolarHBondContact O-N 3.37Å; R24-V27 PolarHBondContact O-N 2.78Å; V27-K29 VanDerWaalsContact C-N 3.34Å; V27-K29 PolarHBondContact O-N 2.88Å; V27-K30 PolarHBondContact O-N 3.14Å; V27-K30 VanDerWaalsContact O-N 3.16Å; V27-L31 HydrophobicContact CG1-CD1 3.52Å; V27-L31 HydrophobicContact CG1-CG 4.03Å; V27-L31 VanDerWaalsContact O-CG 3.24Å; V27-L31 WeakPolarHBondContact O-CG 3.32Å; V27-L31 PolarHBondContact O-N 3.03Å; V27-A51 HydrophobicContact CG1-CB 4.13Å; V27-F57 HydrophobicContact CB-CD1 4.11Å; V27-F57 HydrophobicContact CB-CE1 4.36Å; V27-F57 HydrophobicContact CG1-CD1 4Å; V27-F57 HydrophobicContact CG1-CE1 4.13Å; V27-F57 HydrophobicContact CG2-CB 3.91Å; V27-F57 HydrophobicContact CG2-CD1 3.75Å; V27-F57 HydrophobicContact CG2-CE1 4.45Å; V27-F57 HydrophobicContact CG2-CG 3.96Å; V27-L75 HydrophobicContact CG1-CD2 4.14Å; V27-L75 HydrophobicContact CG2-CD1 4.49Å
28	A	98.8	Very high	93.8	Very high	0 Å²	0	56 Å²	56	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-52.8	-50	179.1	0	0	0	0	0	112.3	R24 C25 K30 L31 H32 V48 L141 L146	R24-A28 PolarHBondContact O-N 2.64Å; C25-A28 PolarHBondContact O-N 3.27Å; A28-K30 PolarHBondContact O-N 2.92Å; A28-L31 PolarHBondContact O-N 3.05Å; A28-H32 WeakPolarHBondContact O-CB 3.36Å; A28-H32 PolarHBondContact O-N 3.46Å; A28-V48 HydrophobicContact CB-CG2 3.78Å; A28-L141 HydrophobicContact CB-CD2 3.45Å; A28-L141 VanDerWaalsContact CB-CD2 3.45Å; A28-L146 HydrophobicContact CB-CD2 3.84Å
29	K	98.7	Very high	95.7	Very high	80 Å²	80	56 Å²	56	35%	0.348	30%	0.303	S	S	.	.	H	α-helix	trans	-61.1	-46	178.1	-178.6	162.3	178.1	54.1	0	112.5	C25 V27 L31 H32 D33 L146	C25-K29 WeakPolarHBondContact O-CB 3.03Å; C25-K29 PolarHBondContact O-N 2.94Å; V27-K29 VanDerWaalsContact C-N 3.34Å; V27-K29 PolarHBondContact O-N 2.88Å; K29-L31 VanDerWaalsContact C-N 3.34Å; K29-L31 PolarHBondContact O-N 3.5Å; K29-H32 WeakPolarHBondContact O-CB 3.2Å; K29-H32 PolarHBondContact O-N 3.32Å; K29-D33 WeakPolarHBondContact CG-OD2 3.48Å; K29-D33 IonicContact NZ-OD1 3.4Å; K29-D33 PolarHBondContact NZ-OD1 3.32Å; K29-D33 IonicContact NZ-OD2 3.37Å; K29-D33 PolarHBondContact NZ-OD2 3.49Å; K29-D33 WeakPolarHBondContact O-CB 3.44Å; K29-D33 PolarHBondContact O-N 2.91Å; K29-L146 HydrophobicContact CB-CD2 4.34Å; K29-L146 PolarHBondContact NZ-OXT 3.07Å
30	K	98.7	Very high	97.4	Very high	62 Å²	62	56.8 Å²	56.8	27%	0.27	29%	0.293	S	S	.	.	H	α-helix	trans	-62.6	-39	178	-75.6	172.7	170.8	-76.3	0	112.9	L22 T26 V27 A28 G34 P102 L104 I108	L22-K30 HydrophobicContact CD1-CD 4.22Å; T26-K30 HydrophobicContact CG2-CD 4.2Å; T26-K30 WeakPolarHBondContact O-CB 3.42Å; T26-K30 VanDerWaalsContact O-CG 3.31Å; T26-K30 WeakPolarHBondContact O-CG 3.41Å; T26-K30 PolarHBondContact O-N 3.4Å; V27-K30 PolarHBondContact O-N 3.14Å; V27-K30 VanDerWaalsContact O-N 3.16Å; A28-K30 PolarHBondContact O-N 2.92Å; K30-G34 PolarHBondContact O-N 2.87Å; K30-P102 WeakPolarHBondContact CE-O 3.29Å; K30-P102 PolarHBondContact NZ-O 3.22Å; K30-P102 VanDerWaalsContact NZ-O 3.07Å; K30-L104 HydrophobicContact CB-CD1 3.95Å; K30-L104 HydrophobicContact CD-CD1 3.92Å; K30-L104 HydrophobicContact CD-CG 4.41Å; K30-I108 WeakPolarHBondContact O-CD1 3.37Å
31	L	98.9	Very high	98.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-70.4	-38.8	177.2	-62	175.4	0	0	0	111.2	V27 A28 K29 G34 G35 L36 L44 W47 V48 L75 F76 L104 I108	V27-L31 HydrophobicContact CG1-CD1 3.52Å; V27-L31 HydrophobicContact CG1-CG 4.03Å; V27-L31 VanDerWaalsContact O-CG 3.24Å; V27-L31 WeakPolarHBondContact O-CG 3.32Å; V27-L31 PolarHBondContact O-N 3.03Å; A28-L31 PolarHBondContact O-N 3.05Å; K29-L31 VanDerWaalsContact C-N 3.34Å; K29-L31 PolarHBondContact O-N 3.5Å; L31-G34 PolarHBondContact O-N 3.41Å; L31-G35 PolarHBondContact O-N 3.36Å; L31-L36 HydrophobicContact CB-CB 4.49Å; L31-L36 HydrophobicContact CB-CD1 4.18Å; L31-L36 HydrophobicContact CD2-CD1 3.62Å; L31-L36 HydrophobicContact CG-CD1 4.41Å; L31-L36 WeakPolarHBondContact O-CB 3.35Å; L31-L36 PolarHBondContact O-N 2.92Å; L31-L44 HydrophobicContact CB-CD1 3.68Å; L31-W47 HydrophobicContact CD1-CB 3.92Å; L31-V48 HydrophobicContact CD1-CG2 4.16Å; L31-L75 HydrophobicContact CD2-CD2 4.21Å; L31-F76 HydrophobicContact CD1-CZ 4.2Å; L31-F76 HydrophobicContact CD2-CE2 4.08Å; L31-F76 HydrophobicContact CD2-CZ 3.76Å; L31-L104 HydrophobicContact CD2-CD1 4.49Å; L31-I108 HydrophobicContact CD2-CD1 4.09Å; L31-I108 HydrophobicContact CD2-CG1 3.92Å
32	H	98.8	Very high	98.4	Very high	67 Å²	67	52.3 Å²	52.3	31%	0.31	29%	0.288	S	S	.	.	H	α-helix	trans	-61.9	-54.3	172.8	-177.9	80.3	0	0	0	111.5	A28 K29 G34 G35 D37 L44 L146	A28-H32 WeakPolarHBondContact O-CB 3.36Å; A28-H32 PolarHBondContact O-N 3.46Å; K29-H32 WeakPolarHBondContact O-CB 3.2Å; K29-H32 PolarHBondContact O-N 3.32Å; H32-G34 PolarHBondContact O-N 3.29Å; H32-G35 WeakPolarHBondContact O-CA 3.35Å; H32-G35 PolarHBondContact O-N 3.03Å; H32-D37 IonicContact CE1-OD2 3.61Å; H32-D37 IonicContact ND1-OD2 3.36Å; H32-D37 PolarHBondContact ND1-OD2 3.16Å; H32-L44 HydrophobicContact CB-CD1 4.23Å; H32-L44 HydrophobicContact CB-CD2 3.77Å; H32-L146 HydrophobicContact CB-CD2 4.42Å
33	D	98.7	Very high	98.5	Very high	100 Å²	100	51.9 Å²	51.9	54%	0.535	29%	0.287	S	S	.	.	H	α-helix	trans	-60.2	-31.2	178.3	-65.7	-16.4	0	0	0	111.4	K29 G35	K29-D33 WeakPolarHBondContact CG-OD2 3.48Å; K29-D33 IonicContact NZ-OD1 3.4Å; K29-D33 PolarHBondContact NZ-OD1 3.32Å; K29-D33 IonicContact NZ-OD2 3.37Å; K29-D33 PolarHBondContact NZ-OD2 3.49Å; K29-D33 WeakPolarHBondContact O-CB 3.44Å; K29-D33 PolarHBondContact O-N 2.91Å; D33-G35 PolarHBondContact O-N 3.36Å
34	G	98.7	Very high	98.5	Very high	26 Å²	26	49.9 Å²	49.9	27%	0.268	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	1.1	172.5	0	0	0	0	0	114.8	K30 L31 H32 I108 K112	K30-G34 PolarHBondContact O-N 2.87Å; L31-G34 PolarHBondContact O-N 3.41Å; H32-G34 PolarHBondContact O-N 3.29Å; G34-I108 WeakPolarHBondContact O-CG2 3.3Å; G34-K112 VanDerWaalsContact O-CE 3.26Å; G34-K112 WeakPolarHBondContact O-CE 3.43Å; G34-K112 PolarHBondContact O-NZ 3.41Å
35	G	98.6	Very high	98.6	Very high	33 Å²	33	48.3 Å²	48.3	34%	0.34	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.3	41.3	176.6	0	0	0	0	0	113.7	L31 H32 D33 K112	L31-G35 PolarHBondContact O-N 3.36Å; H32-G35 WeakPolarHBondContact O-CA 3.35Å; H32-G35 PolarHBondContact O-N 3.03Å; D33-G35 PolarHBondContact O-N 3.36Å; G35-K112 WeakPolarHBondContact O-CE 3.41Å; G35-K112 PolarHBondContact O-NZ 3.26Å
36	L	98.8	Very high	98.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.254	C	S	.	.			trans	-94.2	-12.7	170.5	-71.4	175.3	0	0	0	113.5	L31 Y38 F39 W47 I108 K112	L31-L36 HydrophobicContact CB-CB 4.49Å; L31-L36 HydrophobicContact CB-CD1 4.18Å; L31-L36 HydrophobicContact CD2-CD1 3.62Å; L31-L36 HydrophobicContact CG-CD1 4.41Å; L31-L36 WeakPolarHBondContact O-CB 3.35Å; L31-L36 PolarHBondContact O-N 2.92Å; L36-Y38 PolarHBondContact O-N 3.12Å; L36-F39 HydrophobicContact CD2-CB 4.39Å; L36-F39 HydrophobicContact CD2-CD1 4.35Å; L36-F39 HydrophobicContact CD2-CG 4.43Å; L36-F39 WeakPolarHBondContact O-CB 3.24Å; L36-F39 PolarHBondContact O-N 3.34Å; L36-W47 HydrophobicContact CB-CD2 4.27Å; L36-W47 HydrophobicContact CB-CG 4.12Å; L36-W47 HydrophobicContact CD1-CD2 4.06Å; L36-W47 HydrophobicContact CD1-CE3 4.17Å; L36-W47 HydrophobicContact CD1-CG 4.35Å; L36-W47 HydrophobicContact CD2-CD2 4.33Å; L36-W47 HydrophobicContact CD2-CH2 4.12Å; L36-W47 HydrophobicContact CD2-CZ2 3.77Å; L36-W47 HydrophobicContact CG-CD2 4.46Å; L36-W47 PolarHBondContact O-NE1 3.27Å; L36-I108 HydrophobicContact CD1-CB 4.37Å; L36-I108 HydrophobicContact CD1-CG1 3.94Å; L36-I108 HydrophobicContact CD1-CG2 3.94Å; L36-I108 HydrophobicContact CD2-CG2 4.24Å; L36-I108 HydrophobicContact CG-CG2 3.86Å; L36-K112 HydrophobicContact CD2-CD 4.38Å; L36-K112 HydrophobicContact CD2-CG 3.66Å
37	D	98.6	Very high	98.6	Very high	59 Å²	59	44 Å²	44	32%	0.316	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	121.9	174.4	-167	18	0	0	0	110.6	H32 F39 L44	H32-D37 IonicContact CE1-OD2 3.61Å; H32-D37 IonicContact ND1-OD2 3.36Å; H32-D37 PolarHBondContact ND1-OD2 3.16Å; D37-F39 PolarHBondContact O-N 3.1Å; D37-F39 VanDerWaalsContact O-N 3.09Å; D37-L44 HydrophobicContact CB-CB 4.07Å; D37-L44 WeakPolarHBondContact OD1-CB 3.39Å; D37-L44 PolarHBondContact OD1-N 2.96Å
38	Y	98.4	Very high	98.6	Very high	166 Å²	166	44 Å²	44	65%	0.651	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.2	16.4	-171.7	-75	-82.4	0	0	0	116.2	L36 E40 G41 Y42	L36-Y38 PolarHBondContact O-N 3.12Å; Y38-E40 PolarHBondContact O-N 2.98Å; Y38-G41 PolarHBondContact O-N 3.17Å; Y38-G41 VanDerWaalsContact O-N 3.07Å; Y38-Y42 CarbonylContact C-O 3.57Å; Y38-Y42 WeakPolarHBondContact CA-O 3.5Å; Y38-Y42 PolarHBondContact N-O 2.95Å
39	F	98.7	Very high	98.6	Very high	38 Å²	38	44 Å²	44	17%	0.167	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-66.3	125.6	176.8	-172.8	-95	0	0	0	110.7	L36 D37 G41 Y42 K112 V115 K116	L36-F39 HydrophobicContact CD2-CB 4.39Å; L36-F39 HydrophobicContact CD2-CD1 4.35Å; L36-F39 HydrophobicContact CD2-CG 4.43Å; L36-F39 WeakPolarHBondContact O-CB 3.24Å; L36-F39 PolarHBondContact O-N 3.34Å; D37-F39 PolarHBondContact O-N 3.1Å; D37-F39 VanDerWaalsContact O-N 3.09Å; F39-G41 PolarHBondContact O-N 3.19Å; F39-G41 VanDerWaalsContact O-N 3.16Å; F39-Y42 PolarHBondContact O-N 3.1Å; F39-K112 HydrophobicContact CD1-CB 4.47Å; F39-K112 HydrophobicContact CD1-CG 3.95Å; F39-K112 HydrophobicContact CD2-CD 4.16Å; F39-K112 HydrophobicContact CD2-CG 4.4Å; F39-K112 HydrophobicContact CE1-CB 3.61Å; F39-K112 HydrophobicContact CE1-CD 4.17Å; F39-K112 HydrophobicContact CE1-CG 3.52Å; F39-K112 HydrophobicContact CE2-CB 4.47Å; F39-K112 HydrophobicContact CE2-CD 3.71Å; F39-K112 HydrophobicContact CE2-CG 4.02Å; F39-K112 HydrophobicContact CG-CG 4.36Å; F39-K112 HydrophobicContact CZ-CB 3.59Å; F39-K112 HydrophobicContact CZ-CD 3.69Å; F39-K112 HydrophobicContact CZ-CG 3.54Å; F39-V115 HydrophobicContact CD1-CG1 3.61Å; F39-V115 HydrophobicContact CE1-CG1 3.46Å; F39-V115 VanDerWaalsContact CE1-CG1 3.46Å; F39-K116 HydrophobicContact CE1-CG 4.44Å; F39-K116 HydrophobicContact CZ-CD 4.36Å; F39-K116 HydrophobicContact CZ-CG 4.49Å
40	E	97.9	Very high	98.6	Very high	103 Å²	103	40.2 Å²	40.2	48%	0.481	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	27.7	-171.4	-56.9	-64.5	152.3	0	0	113.3	Y38 Y42 V115 K116	Y38-E40 PolarHBondContact O-N 2.98Å; E40-Y42 HydrophobicContact CB-CD2 4.13Å; E40-Y42 HydrophobicContact CB-CE2 4.22Å; E40-Y42 WeakPolarHBondContact O-CD2 3.44Å; E40-V115 HydrophobicContact CB-CG1 4.4Å; E40-V115 HydrophobicContact CG-CG1 3.96Å; E40-K116 HydrophobicContact CG-CG 4.09Å; E40-K116 WeakPolarHBondContact OE1-CE 3.45Å; E40-K116 VanDerWaalsContact OE1-CG 3.32Å; E40-K116 WeakPolarHBondContact OE1-CG 3.31Å
41	G	97.9	Very high	98.6	Very high	60 Å²	60	37.2 Å²	37.2	62%	0.619	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.5	0.9	178.3	0	0	0	0	0	115.6	Y38 F39	Y38-G41 PolarHBondContact O-N 3.17Å; Y38-G41 VanDerWaalsContact O-N 3.07Å; F39-G41 PolarHBondContact O-N 3.19Å; F39-G41 VanDerWaalsContact O-N 3.16Å
42	Y	98.5	Very high	98.6	Very high	51 Å²	51	41.3 Å²	41.3	20%	0.2	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-90.6	124.4	178	-61.2	-80.1	0	0	0	111.2	Y38 F39 E40 V115 M121 W127	Y38-Y42 CarbonylContact C-O 3.57Å; Y38-Y42 WeakPolarHBondContact CA-O 3.5Å; Y38-Y42 PolarHBondContact N-O 2.95Å; F39-Y42 PolarHBondContact O-N 3.1Å; E40-Y42 HydrophobicContact CB-CD2 4.13Å; E40-Y42 HydrophobicContact CB-CE2 4.22Å; E40-Y42 WeakPolarHBondContact O-CD2 3.44Å; Y42-V115 HydrophobicContact CD2-CG2 3.67Å; Y42-V115 HydrophobicContact CE2-CG2 3.48Å; Y42-V115 VanDerWaalsContact CE2-CG2 3.48Å; Y42-M121 HydrophobicContact CD1-CB 4.11Å; Y42-M121 HydrophobicContact CD1-CG 3.66Å; Y42-M121 HydrophobicContact CD1-SD 3.39Å; Y42-M121 WeakPolarHBondContact CD1-SD 3.47Å; Y42-M121 HydrophobicContact CD2-CG 3.82Å; Y42-M121 HydrophobicContact CD2-SD 4.14Å; Y42-M121 HydrophobicContact CE1-CB 3.76Å; Y42-M121 HydrophobicContact CE1-CG 3.74Å; Y42-M121 HydrophobicContact CE1-SD 4.06Å; Y42-M121 HydrophobicContact CE2-CB 4.47Å; Y42-M121 HydrophobicContact CE2-CG 3.93Å; Y42-M121 HydrophobicContact CG-CG 3.69Å; Y42-M121 HydrophobicContact CG-SD 3.43Å; Y42-M121 PolarHBondContact OH-N 3.25Å; Y42-W127 HydrophobicContact CD1-CH2 4.36Å; Y42-W127 AromaticContact CD1-CZ2 3.86Å; Y42-W127 HydrophobicContact CD1-CZ2 3.86Å; Y42-W127 AromaticContact CE1-CH2 3.63Å; Y42-W127 HydrophobicContact CE1-CH2 3.63Å; Y42-W127 AromaticContact CE1-CZ2 3.6Å; Y42-W127 HydrophobicContact CE1-CZ2 3.6Å
43	S	98.5	Very high	98.6	Very high	16 Å²	16	41.4 Å²	41.4	11%	0.112	22%	0.221	C	C	.	.			trans	-64.8	156.2	178.1	80.7	0	0	0	0	112	E45 N46	S43-E45 WeakPolarHBondContact CB-OE2 3.29Å; S43-E45 PolarHBondContact O-N 2.82Å; S43-E45 PolarHBondContact OG-OE2 3.35Å; S43-N46 WeakPolarHBondContact O-CB 3.34Å; S43-N46 PolarHBondContact O-N 3.44Å; S43-N46 PolarHBondContact OG-ND2 3.42Å
44	L	98.8	Very high	98.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-55.8	-35.1	177.9	-176.7	64.7	0	0	0	113.2	L31 H32 D37 N46 W47 V48 L141 L146	L31-L44 HydrophobicContact CB-CD1 3.68Å; H32-L44 HydrophobicContact CB-CD1 4.23Å; H32-L44 HydrophobicContact CB-CD2 3.77Å; D37-L44 HydrophobicContact CB-CB 4.07Å; D37-L44 WeakPolarHBondContact OD1-CB 3.39Å; D37-L44 PolarHBondContact OD1-N 2.96Å; L44-N46 VanDerWaalsContact C-N 3.27Å; L44-N46 PolarHBondContact O-N 3.43Å; L44-W47 WeakPolarHBondContact O-CB 3.44Å; L44-W47 PolarHBondContact O-N 3.41Å; L44-W47 VanDerWaalsContact O-N 3.12Å; L44-V48 HydrophobicContact CG-CG2 4.4Å; L44-V48 WeakPolarHBondContact O-CG2 3.03Å; L44-V48 PolarHBondContact O-N 3.49Å; L44-L141 HydrophobicContact CB-CD1 4.21Å; L44-L141 HydrophobicContact CD2-CD1 3.98Å; L44-L141 HydrophobicContact CD2-CD2 3.86Å; L44-L141 HydrophobicContact CG-CD1 4.34Å; L44-L141 HydrophobicContact CG-CD2 4.23Å; L44-L146 HydrophobicContact CD2-CD1 3.43Å; L44-L146 VanDerWaalsContact CD2-CD1 3.43Å; L44-L146 HydrophobicContact CD2-CD2 4.06Å; L44-L146 HydrophobicContact CD2-CG 4.4Å
45	E	98.7	Very high	98.6	Very high	44 Å²	44	37 Å²	37	21%	0.206	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-34.5	177.7	-57.8	78.5	175.2	0	0	112.6	S43 W47 V48 C49 L137 W140 L141	S43-E45 WeakPolarHBondContact CB-OE2 3.29Å; S43-E45 PolarHBondContact O-N 2.82Å; S43-E45 PolarHBondContact OG-OE2 3.35Å; E45-W47 VanDerWaalsContact C-N 3.29Å; E45-W47 PolarHBondContact O-N 3.05Å; E45-V48 PolarHBondContact O-N 3.19Å; E45-C49 WeakPolarHBondContact O-CB 3.43Å; E45-C49 PolarHBondContact O-N 2.04Å; E45-L137 HydrophobicContact CB-CD1 4.35Å; E45-L137 HydrophobicContact CB-CD2 3.95Å; E45-L137 HydrophobicContact CB-CG 3.59Å; E45-L137 WeakPolarHBondContact CB-O 3.49Å; E45-L137 VanDerWaalsContact CG-O 3.32Å; E45-L137 WeakPolarHBondContact CG-O 3.31Å; E45-W140 HydrophobicContact CB-CB 4.16Å; E45-W140 HydrophobicContact CG-CB 4.42Å; E45-L141 HydrophobicContact CG-CD1 3.8Å; E45-L141 HydrophobicContact CG-CG 3.88Å; E45-L141 VanDerWaalsContact OE1-CD1 3.29Å; E45-L141 WeakPolarHBondContact OE1-CD1 3.26Å
46	N	98.8	Very high	98.5	Very high	18 Å²	18	39.8 Å²	39.8	10%	0.096	19%	0.193	C	C	.	.	H	α-helix	trans	-60	-43.7	174.9	-81.6	-78.9	0	0	0	110.8	S43 L44 C49 L50 M121 W127 L137	S43-N46 WeakPolarHBondContact O-CB 3.34Å; S43-N46 PolarHBondContact O-N 3.44Å; S43-N46 PolarHBondContact OG-ND2 3.42Å; L44-N46 VanDerWaalsContact C-N 3.27Å; L44-N46 PolarHBondContact O-N 3.43Å; N46-C49 PolarHBondContact O-N 3.09Å; N46-L50 WeakPolarHBondContact O-CB 3.22Å; N46-L50 PolarHBondContact O-N 2.83Å; N46-M121 HydrophobicContact CB-CE 4.13Å; N46-M121 HydrophobicContact CB-SD 3.79Å; N46-W127 PolarHBondContact OD1-NE1 3.26Å; N46-L137 WeakPolarHBondContact ND2-CD2 3.38Å
47	W	98.9	Very high	98.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67.6	-41.9	178.2	-65.3	103.2	0	0	0	112.3	L31 L36 L44 E45 L50 A51 F76 A111 V115 M121 W124	L31-W47 HydrophobicContact CD1-CB 3.92Å; L36-W47 HydrophobicContact CB-CD2 4.27Å; L36-W47 HydrophobicContact CB-CG 4.12Å; L36-W47 HydrophobicContact CD1-CD2 4.06Å; L36-W47 HydrophobicContact CD1-CE3 4.17Å; L36-W47 HydrophobicContact CD1-CG 4.35Å; L36-W47 HydrophobicContact CD2-CD2 4.33Å; L36-W47 HydrophobicContact CD2-CH2 4.12Å; L36-W47 HydrophobicContact CD2-CZ2 3.77Å; L36-W47 HydrophobicContact CG-CD2 4.46Å; L36-W47 PolarHBondContact O-NE1 3.27Å; L44-W47 WeakPolarHBondContact O-CB 3.44Å; L44-W47 PolarHBondContact O-N 3.41Å; L44-W47 VanDerWaalsContact O-N 3.12Å; E45-W47 VanDerWaalsContact C-N 3.29Å; E45-W47 PolarHBondContact O-N 3.05Å; W47-L50 HydrophobicContact CE3-CD2 4.4Å; W47-L50 HydrophobicContact CZ3-CD2 4.47Å; W47-L50 PolarHBondContact O-N 2.82Å; W47-A51 WeakPolarHBondContact O-CB 3.43Å; W47-A51 PolarHBondContact O-N 2.99Å; W47-F76 HydrophobicContact CE3-CE1 4.22Å; W47-F76 HydrophobicContact CE3-CE2 4.24Å; W47-F76 AromaticContact CE3-CZ 3.79Å; W47-F76 HydrophobicContact CE3-CZ 3.79Å; W47-F76 HydrophobicContact CZ3-CE2 4.49Å; W47-F76 HydrophobicContact CZ3-CZ 4.44Å; W47-F76 WeakPolarHBondContact O-CE1 3.13Å; W47-A111 HydrophobicContact CH2-CB 4.17Å; W47-A111 HydrophobicContact CZ3-CB 3.84Å; W47-V115 HydrophobicContact CH2-CB 3.9Å; W47-V115 HydrophobicContact CH2-CG1 4Å; W47-V115 HydrophobicContact CH2-CG2 4.03Å; W47-V115 HydrophobicContact CZ2-CB 4.26Å; W47-V115 HydrophobicContact CZ2-CG1 4.08Å; W47-V115 HydrophobicContact CZ2-CG2 4.07Å; W47-M121 HydrophobicContact CD2-CE 3.98Å; W47-M121 HydrophobicContact CD2-SD 4.32Å; W47-M121 HydrophobicContact CE3-CE 3.87Å; W47-M121 HydrophobicContact CG-CE 4.47Å; W47-M121 HydrophobicContact CH2-CG 4.38Å; W47-M121 HydrophobicContact CZ2-CG 4.39Å; W47-M121 HydrophobicContact CZ2-SD 4.31Å; W47-M121 HydrophobicContact CZ3-CE 4.18Å; W47-W124 HydrophobicContact CZ3-CH2 4.33Å; W47-W124 HydrophobicContact CZ3-CZ3 4.49Å
48	V	98.9	Very high	98.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-65.9	-41.2	176.8	180	0	0	0	0	110.8	R24 A28 L31 L44 E45 A51 Y52 F57 W140 L141	R24-V48 HydrophobicContact CG-CG1 4.03Å; A28-V48 HydrophobicContact CB-CG2 3.78Å; L31-V48 HydrophobicContact CD1-CG2 4.16Å; L44-V48 HydrophobicContact CG-CG2 4.4Å; L44-V48 WeakPolarHBondContact O-CG2 3.03Å; L44-V48 PolarHBondContact O-N 3.49Å; E45-V48 PolarHBondContact O-N 3.19Å; V48-A51 PolarHBondContact O-N 3.02Å; V48-Y52 PolarHBondContact O-N 3.36Å; V48-Y52 VanDerWaalsContact O-N 3.1Å; V48-F57 HydrophobicContact CG1-CE1 3.93Å; V48-F57 HydrophobicContact CG1-CZ 3.83Å; V48-F57 VanDerWaalsContact O-CE1 3.31Å; V48-F57 WeakPolarHBondContact O-CE1 3.31Å; V48-W140 HydrophobicContact CB-CB 4.08Å; V48-W140 HydrophobicContact CG1-CB 3.93Å; V48-W140 HydrophobicContact CG1-CD2 4.23Å; V48-W140 HydrophobicContact CG1-CE3 3.82Å; V48-W140 HydrophobicContact CG1-CG 4.3Å; V48-L141 HydrophobicContact CG2-CD2 4.28Å
49	C	98.9	Very high	98.5	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-57.9	-51.6	173.3	-177.3	0	0	0	0	111.6	E45 N46 A51 Y52 F53 C131 L137 W140	E45-C49 WeakPolarHBondContact O-CB 3.43Å; E45-C49 PolarHBondContact O-N 2.04Å; N46-C49 PolarHBondContact O-N 3.09Å; C49-A51 PolarHBondContact O-N 3.07Å; C49-Y52 PolarHBondContact O-N 3.33Å; C49-F53 WeakPolarHBondContact O-CD2 3.03Å; C49-F53 PolarHBondContact O-N 3.27Å; C49-F53 VanDerWaalsContact O-N 3.1Å; C49-C131 VanDerWaalsContact C-SG 3.53Å; C49-C131 HydrophobicContact CB-CB 3.8Å; C49-C131 WeakPolarHBondContact CB-SG 3.34Å; C49-C131 VanDerWaalsContact SG-CA 3.54Å; C49-C131 WeakPolarHBondContact SG-CB 3.49Å; C49-C131 CovalentContact SG-SG 2.04Å; C49-C131 PolarHBondContact SG-SG 2.66Å; C49-L137 HydrophobicContact CB-CD1 3.85Å; C49-W140 HydrophobicContact CB-CD2 4.38Å; C49-W140 HydrophobicContact CB-CG 4.32Å; C49-W140 HydrophobicContact CB-CZ2 4.4Å; C49-W140 VanDerWaalsContact CB-NE1 3.32Å
50	L	98.9	Very high	98.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-57	-49.2	177.8	173.6	65.1	0	0	0	111.2	N46 W47 Y52 F53 E54 F76 M121 W124 W127	N46-L50 WeakPolarHBondContact O-CB 3.22Å; N46-L50 PolarHBondContact O-N 2.83Å; W47-L50 HydrophobicContact CE3-CD2 4.4Å; W47-L50 HydrophobicContact CZ3-CD2 4.47Å; W47-L50 PolarHBondContact O-N 2.82Å; L50-Y52 VanDerWaalsContact C-N 3.26Å; L50-Y52 PolarHBondContact O-N 3.02Å; L50-F53 PolarHBondContact O-N 3.04Å; L50-E54 HydrophobicContact CD1-CG 3.46Å; L50-E54 VanDerWaalsContact CD1-CG 3.46Å; L50-E54 HydrophobicContact CG-CG 4.09Å; L50-E54 WeakPolarHBondContact O-CB 3.29Å; L50-E54 WeakPolarHBondContact O-CG 3.37Å; L50-E54 PolarHBondContact O-N 2.85Å; L50-F76 HydrophobicContact CB-CE1 4.42Å; L50-F76 HydrophobicContact CD2-CD1 3.75Å; L50-F76 HydrophobicContact CD2-CE1 4.05Å; L50-F76 HydrophobicContact CD2-CG 4.4Å; L50-F76 HydrophobicContact CG-CD1 3.8Å; L50-F76 HydrophobicContact CG-CE1 4.16Å; L50-M121 HydrophobicContact CB-CE 4.02Å; L50-M121 HydrophobicContact CD2-CE 3.67Å; L50-M121 HydrophobicContact CG-CE 4.46Å; L50-W124 HydrophobicContact CD1-CB 3.58Å; L50-W124 HydrophobicContact CD1-CD2 4.34Å; L50-W124 HydrophobicContact CD1-CG 3.64Å; L50-W124 HydrophobicContact CD2-CB 4.43Å; L50-W124 HydrophobicContact CD2-CD2 3.71Å; L50-W124 HydrophobicContact CD2-CE3 4.01Å; L50-W124 HydrophobicContact CD2-CG 3.92Å; L50-W124 HydrophobicContact CD2-CZ2 4.46Å; L50-W124 HydrophobicContact CD2-CZ3 4.48Å; L50-W124 HydrophobicContact CG-CG 4.42Å; L50-W127 HydrophobicContact CD1-CB 3.91Å
51	A	98.8	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-57.2	-37.8	179.2	0	0	0	0	0	112.9	V27 W47 V48 C49 S55 F57 L75 F76	V27-A51 HydrophobicContact CG1-CB 4.13Å; W47-A51 WeakPolarHBondContact O-CB 3.43Å; W47-A51 PolarHBondContact O-N 2.99Å; V48-A51 PolarHBondContact O-N 3.02Å; C49-A51 PolarHBondContact O-N 3.07Å; A51-S55 PolarHBondContact O-N 2.86Å; A51-S55 VanDerWaalsContact O-N 3.17Å; A51-S55 PolarHBondContact O-OG 3.06Å; A51-S55 VanDerWaalsContact O-OG 3.09Å; A51-F57 HydrophobicContact CB-CD1 3.81Å; A51-F57 HydrophobicContact CB-CE1 3.87Å; A51-F57 PolarHBondContact O-N 3.41Å; A51-L75 HydrophobicContact CB-CD1 4.02Å; A51-L75 HydrophobicContact CB-CD2 3.93Å; A51-L75 HydrophobicContact CB-CG 3.75Å; A51-F76 HydrophobicContact CB-CD1 4.16Å; A51-F76 HydrophobicContact CB-CE1 3.66Å
52	Y	98.7	Very high	98.3	Very high	86 Å²	86	29.5 Å²	29.5	34%	0.337	14%	0.137	S	C	.	.	H	α-helix	trans	-68.2	-45.3	176.8	178.2	-102.4	0	0	0	112.5	V48 C49 L50 K56 F57 W140	V48-Y52 PolarHBondContact O-N 3.36Å; V48-Y52 VanDerWaalsContact O-N 3.1Å; C49-Y52 PolarHBondContact O-N 3.33Å; L50-Y52 VanDerWaalsContact C-N 3.26Å; L50-Y52 PolarHBondContact O-N 3.02Å; Y52-K56 HydrophobicContact CD2-CD 4.18Å; Y52-K56 HydrophobicContact CE1-CD 4.31Å; Y52-K56 HydrophobicContact CE2-CD 3.74Å; Y52-K56 VanDerWaalsContact O-CA 3.29Å; Y52-K56 WeakPolarHBondContact O-CA 3.41Å; Y52-K56 WeakPolarHBondContact O-CD 3.38Å; Y52-K56 PolarHBondContact O-N 3.42Å; Y52-K56 PolarHBondContact O-NZ 3.37Å; Y52-F57 HydrophobicContact CD2-CD2 4.12Å; Y52-F57 AromaticContact CD2-CE2 3.72Å; Y52-F57 HydrophobicContact CD2-CE2 3.72Å; Y52-F57 HydrophobicContact CD2-CZ 4.08Å; Y52-F57 HydrophobicContact CG-CE2 4.39Å; Y52-F57 HydrophobicContact CG-CZ 4.29Å; Y52-W140 AromaticContact CD1-CH2 3.41Å; Y52-W140 HydrophobicContact CD1-CH2 3.41Å; Y52-W140 VanDerWaalsContact CD1-CH2 3.41Å; Y52-W140 HydrophobicContact CD1-CZ2 4.14Å; Y52-W140 HydrophobicContact CD1-CZ3 4.28Å; Y52-W140 HydrophobicContact CD2-CH2 4.12Å; Y52-W140 HydrophobicContact CD2-CZ3 4.22Å; Y52-W140 HydrophobicContact CE1-CH2 4.07Å; Y52-W140 AromaticContact CG-CH2 3.41Å; Y52-W140 HydrophobicContact CG-CH2 3.41Å; Y52-W140 VanDerWaalsContact CG-CH2 3.41Å; Y52-W140 HydrophobicContact CG-CZ2 4.4Å; Y52-W140 AromaticContact CG-CZ3 3.83Å; Y52-W140 HydrophobicContact CG-CZ3 3.83Å
53	F	98.5	Very high	98.1	Very high	68 Å²	68	32.6 Å²	32.6	30%	0.298	15%	0.15	S	C	.	.	H	α-helix	trans	-73.5	-32.5	-177.2	-78	-76.2	0	0	0	112.7	C49 L50 T126 Y130 W140	C49-F53 WeakPolarHBondContact O-CD2 3.03Å; C49-F53 PolarHBondContact O-N 3.27Å; C49-F53 VanDerWaalsContact O-N 3.1Å; L50-F53 PolarHBondContact O-N 3.04Å; F53-T126 HydrophobicContact CB-CG2 3.35Å; F53-T126 HydrophobicContact CG-CG2 4.35Å; F53-Y130 HydrophobicContact CB-CD2 4.41Å; F53-Y130 HydrophobicContact CD1-CD1 4.34Å; F53-Y130 AromaticContact CD1-CD2 3.81Å; F53-Y130 HydrophobicContact CD1-CD2 3.81Å; F53-Y130 HydrophobicContact CD1-CE2 4.25Å; F53-Y130 AromaticContact CD1-CG 3.87Å; F53-Y130 HydrophobicContact CD1-CG 3.87Å; F53-Y130 HydrophobicContact CD2-CG 4.3Å; F53-Y130 AromaticContact CE1-CD1 3.89Å; F53-Y130 HydrophobicContact CE1-CD1 3.89Å; F53-Y130 HydrophobicContact CE1-CD2 4.19Å; F53-Y130 HydrophobicContact CE1-CE1 4.35Å; F53-Y130 AromaticContact CE1-CG 3.8Å; F53-Y130 HydrophobicContact CE1-CG 3.8Å; F53-Y130 HydrophobicContact CE2-CG 4.25Å; F53-Y130 HydrophobicContact CG-CD2 4.03Å; F53-Y130 HydrophobicContact CG-CG 4.13Å; F53-Y130 HydrophobicContact CZ-CD1 4.12Å; F53-Y130 HydrophobicContact CZ-CG 4.01Å; F53-W140 HydrophobicContact CE2-CZ2 4.14Å
54	E	98.2	Very high	98	Very high	32 Å²	32	38.8 Å²	38.8	15%	0.15	18%	0.176	C	C	.	.	H	α-helix	trans	-74.6	-45.6	177.9	-70.4	-61.7	165.7	0	0	113.2	L50 Q77 T126	L50-E54 HydrophobicContact CD1-CG 3.46Å; L50-E54 VanDerWaalsContact CD1-CG 3.46Å; L50-E54 HydrophobicContact CG-CG 4.09Å; L50-E54 WeakPolarHBondContact O-CB 3.29Å; L50-E54 WeakPolarHBondContact O-CG 3.37Å; L50-E54 PolarHBondContact O-N 2.85Å; E54-Q77 HydrophobicContact CB-CB 4.22Å; E54-Q77 HydrophobicContact CB-CG 3.98Å; E54-Q77 VanDerWaalsContact O-CG 3.31Å; E54-Q77 WeakPolarHBondContact O-CG 3.4Å; E54-Q77 WeakPolarHBondContact OE2-CB 3.31Å; E54-T126 WeakPolarHBondContact OE1-CB 3.48Å; E54-T126 PolarHBondContact OE1-OG1 2.94Å
55	S	97.9	Very high	97.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	19%	0.186	C	C	.	.	H	α-helix	trans	-134.7	1.1	-168.5	66.9	0	0	0	0	115.4	A51 F57 N58 L75	A51-S55 PolarHBondContact O-N 2.86Å; A51-S55 VanDerWaalsContact O-N 3.17Å; A51-S55 PolarHBondContact O-OG 3.06Å; A51-S55 VanDerWaalsContact O-OG 3.09Å; S55-F57 PolarHBondContact O-N 2.96Å; S55-F57 PolarHBondContact OG-N 2.81Å; S55-N58 WeakPolarHBondContact CB-O 3.13Å; S55-N58 VanDerWaalsContact O-CB 3.23Å; S55-N58 WeakPolarHBondContact O-CB 3.34Å; S55-N58 PolarHBondContact O-N 3.27Å; S55-N58 PolarHBondContact OG-N 2.81Å; S55-N58 PolarHBondContact OG-O 3.32Å; S55-L75 WeakPolarHBondContact CB-O 3.26Å; S55-L75 WeakPolarHBondContact OG-CA 3.48Å; S55-L75 PolarHBondContact OG-O 2.86Å
56	K	98	Very high	97.2	Very high	92 Å²	92	44 Å²	44	40%	0.4	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	39.3	-168.7	-53.9	-69.9	162	-128.8	0	111.3	Y52 N58	Y52-K56 HydrophobicContact CD2-CD 4.18Å; Y52-K56 HydrophobicContact CE1-CD 4.31Å; Y52-K56 HydrophobicContact CE2-CD 3.74Å; Y52-K56 VanDerWaalsContact O-CA 3.29Å; Y52-K56 WeakPolarHBondContact O-CA 3.41Å; Y52-K56 WeakPolarHBondContact O-CD 3.38Å; Y52-K56 PolarHBondContact O-N 3.42Å; Y52-K56 PolarHBondContact O-NZ 3.37Å; K56-N58 VanDerWaalsContact C-N 3.25Å; K56-N58 PolarHBondContact O-N 3.07Å
57	F	98.4	Very high	96.8	Very high	15 Å²	15	52.9 Å²	52.9	7%	0.066	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	22	-176.2	-53.5	-49.6	0	0	0	115.6	L22 R24 V27 V48 A51 Y52 S55 P59 W140	L22-F57 PolarHBondContact N-O 3.06Å; L22-F57 WeakPolarHBondContact O-CB 3.32Å; R24-F57 HydrophobicContact CB-CE2 3.77Å; R24-F57 HydrophobicContact CB-CZ 4.15Å; R24-F57 HydrophobicContact CG-CE2 4.14Å; R24-F57 HydrophobicContact CG-CZ 4.04Å; V27-F57 HydrophobicContact CB-CD1 4.11Å; V27-F57 HydrophobicContact CB-CE1 4.36Å; V27-F57 HydrophobicContact CG1-CD1 4Å; V27-F57 HydrophobicContact CG1-CE1 4.13Å; V27-F57 HydrophobicContact CG2-CB 3.91Å; V27-F57 HydrophobicContact CG2-CD1 3.75Å; V27-F57 HydrophobicContact CG2-CE1 4.45Å; V27-F57 HydrophobicContact CG2-CG 3.96Å; V48-F57 HydrophobicContact CG1-CE1 3.93Å; V48-F57 HydrophobicContact CG1-CZ 3.83Å; V48-F57 VanDerWaalsContact O-CE1 3.31Å; V48-F57 WeakPolarHBondContact O-CE1 3.31Å; A51-F57 HydrophobicContact CB-CD1 3.81Å; A51-F57 HydrophobicContact CB-CE1 3.87Å; A51-F57 PolarHBondContact O-N 3.41Å; Y52-F57 HydrophobicContact CD2-CD2 4.12Å; Y52-F57 AromaticContact CD2-CE2 3.72Å; Y52-F57 HydrophobicContact CD2-CE2 3.72Å; Y52-F57 HydrophobicContact CD2-CZ 4.08Å; Y52-F57 HydrophobicContact CG-CE2 4.39Å; Y52-F57 HydrophobicContact CG-CZ 4.29Å; S55-F57 PolarHBondContact O-N 2.96Å; S55-F57 PolarHBondContact OG-N 2.81Å; F57-P59 VanDerWaalsContact O-CD 3.25Å; F57-P59 WeakPolarHBondContact O-CD 3.32Å; F57-W140 HydrophobicContact CE2-CZ3 4.39Å; F57-W140 HydrophobicContact CZ-CE3 4.23Å; F57-W140 AromaticContact CZ-CZ3 3.91Å; F57-W140 HydrophobicContact CZ-CZ3 3.91Å
58	N	98	Very high	96.3	Very high	32 Å²	32	57.8 Å²	57.8	17%	0.171	27%	0.265	C	S	.	.			trans	-83.9	105.8	171.6	-171.7	-9.4	0	0	0	110.3	I21 S55 K56 M60 A61	I21-N58 HydrophobicContact CD1-CB 3.43Å; I21-N58 VanDerWaalsContact CD1-CB 3.43Å; S55-N58 WeakPolarHBondContact CB-O 3.13Å; S55-N58 VanDerWaalsContact O-CB 3.23Å; S55-N58 WeakPolarHBondContact O-CB 3.34Å; S55-N58 PolarHBondContact O-N 3.27Å; S55-N58 PolarHBondContact OG-N 2.81Å; S55-N58 PolarHBondContact OG-O 3.32Å; K56-N58 VanDerWaalsContact C-N 3.25Å; K56-N58 PolarHBondContact O-N 3.07Å; N58-M60 PolarHBondContact O-N 3.22Å; N58-M60 VanDerWaalsContact O-N 3.15Å; N58-M60 PolarHBondContact OD1-N 3Å; N58-A61 HydrophobicContact CB-CB 3.84Å; N58-A61 PolarHBondContact O-N 3.42Å; N58-A61 PolarHBondContact OD1-N 3.31Å
59	P	98.1	Very high	95.8	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-8.2	180	35.6	-36.1	0	0	0	112.7	Y20 L22 F57 G74 L100 N101 P102 L104	Y20-P59 WeakPolarHBondContact O-CD 3.25Å; Y20-P59 WeakPolarHBondContact O-CG 2.79Å; L22-P59 HydrophobicContact CD1-CB 4.18Å; L22-P59 HydrophobicContact CD1-CG 4.04Å; L22-P59 HydrophobicContact CG-CG 4.04Å; F57-P59 VanDerWaalsContact O-CD 3.25Å; F57-P59 WeakPolarHBondContact O-CD 3.32Å; P59-G74 WeakPolarHBondContact O-CA 3.43Å; P59-L100 WeakPolarHBondContact O-CA 3.4Å; P59-N101 PolarHBondContact O-N 3.34Å; P59-P102 HydrophobicContact CG-CB 4.02Å; P59-P102 HydrophobicContact CG-CG 3.95Å; P59-L104 HydrophobicContact CB-CD2 3.78Å
60	M	97.1	Very high	95.5	Very high	69 Å²	69	63.9 Å²	63.9	34%	0.34	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	14.6	-179.1	-61.4	-177.7	69.2	0	0	112.3	Y20 N58 L100 P102	Y20-M60 HydrophobicContact CD1-SD 4.38Å; Y20-M60 HydrophobicContact CD2-CE 4.29Å; Y20-M60 HydrophobicContact CD2-CG 4.42Å; Y20-M60 HydrophobicContact CD2-SD 3.13Å; Y20-M60 WeakPolarHBondContact CD2-SD 3.04Å; Y20-M60 HydrophobicContact CE2-CE 4.26Å; Y20-M60 HydrophobicContact CE2-SD 3.54Å; Y20-M60 VanDerWaalsContact CE2-SD 3.54Å; Y20-M60 HydrophobicContact CG-SD 3.61Å; N58-M60 PolarHBondContact O-N 3.22Å; N58-M60 VanDerWaalsContact O-N 3.15Å; N58-M60 PolarHBondContact OD1-N 3Å; M60-L100 HydrophobicContact CG-CB 4.45Å; M60-P102 HydrophobicContact SD-CG 4.16Å
61	A	97	Very high	95.3	Very high	3 Å²	3	66 Å²	66	3%	0.025	32%	0.323	C	S	.	.			trans	-64.4	138.8	177.1	0	0	0	0	0	111.7	N58 Y63 G74 Q77	N58-A61 HydrophobicContact CB-CB 3.84Å; N58-A61 PolarHBondContact O-N 3.42Å; N58-A61 PolarHBondContact OD1-N 3.31Å; A61-Y63 HydrophobicContact CB-CE2 3.88Å; A61-G74 PolarHBondContact O-N 2.99Å; A61-Q77 PolarHBondContact O-NE2 3.4Å
62	I	96.8	Very high	95.3	Very high	91 Å²	91	66 Å²	66	47%	0.467	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	119.7	170.6	-54.6	177	0	0	0	106.3	T71 G72 F73 L100	I62-T71 HydrophobicContact CG2-CG2 3.45Å; I62-T71 VanDerWaalsContact CG2-CG2 3.45Å; I62-G72 WeakPolarHBondContact CA-O 3.23Å; I62-F73 HydrophobicContact CG1-CD1 4.33Å; I62-F73 HydrophobicContact CG2-CD1 4.44Å; I62-F73 HydrophobicContact CG2-CE1 4.25Å; I62-L100 HydrophobicContact CD1-CD1 3.61Å; I62-L100 HydrophobicContact CD1-CD2 4.42Å; I62-L100 HydrophobicContact CG1-CD1 3.92Å; I62-L100 HydrophobicContact CG1-CD2 3.78Å
63	Y	95.4	Very high	95.2	Very high	117 Å²	117	63.7 Å²	63.7	46%	0.459	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	126.8	175	-59.4	-50.3	0	0	0	110.5	A61 T71 G72 Q77	A61-Y63 HydrophobicContact CB-CE2 3.88Å; Y63-T71 WeakPolarHBondContact O-CA 3.38Å; Y63-G72 PolarHBondContact N-O 3.04Å; Y63-G72 PolarHBondContact O-N 3.15Å; Y63-Q77 HydrophobicContact CD2-CG 3.95Å; Y63-Q77 HydrophobicContact CE2-CG 4.43Å
64	E	95	Very high	95.2	Very high	145 Å²	145	60.4 Å²	60.4	68%	0.678	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	119.1	173	-170.5	178.9	167.1	0	0	109.6	T66	E64-T66 HydrophobicContact CG-CG2 4.15Å; E64-T66 PolarHBondContact O-N 3.31Å
65	N	90.5	Very high	95.2	Very high	38 Å²	38	58.9 Å²	58.9	20%	0.203	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	89.5	170	-173.7	-26.7	0	0	0	108.4	R67 E68 G69 Y70	N65-R67 PolarHBondContact O-N 3.06Å; N65-R67 PolarHBondContact OD1-N 3.18Å; N65-E68 PolarHBondContact O-N 3.04Å; N65-E68 PolarHBondContact OD1-N 2.75Å; N65-G69 WeakPolarHBondContact O-CA 3.41Å; N65-G69 PolarHBondContact O-N 3.26Å; N65-Y70 HydrophobicContact CB-CD1 4.33Å; N65-Y70 HydrophobicContact CB-CD2 4.4Å; N65-Y70 HydrophobicContact CB-CE1 4.02Å; N65-Y70 HydrophobicContact CB-CE2 4.07Å; N65-Y70 PolarHBondContact N-O 3.32Å; N65-Y70 PolarHBondContact ND2-OH 3.09Å; N65-Y70 VanDerWaalsContact ND2-OH 3.16Å; N65-Y70 PolarHBondContact O-N 3.09Å
66	T	90.3	Very high	95.3	Very high	116 Å²	116	58.9 Å²	58.9	71%	0.712	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.5	-178.3	54.7	0	0	0	0	113.2	E64	E64-T66 HydrophobicContact CG-CG2 4.15Å; E64-T66 PolarHBondContact O-N 3.31Å
67	R	90.6	Very high	95.3	Very high	205 Å²	205	55.3 Å²	55.3	77%	0.774	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-41.2	179.1	-174.2	-177.5	68.2	-164.3	-0.4	112.2	N65	N65-R67 PolarHBondContact O-N 3.06Å; N65-R67 PolarHBondContact OD1-N 3.18Å
68	E	88	Confident	95.2	Very high	102 Å²	102	54.7 Å²	54.7	48%	0.477	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-2.6	-177.8	-70.1	164.5	-139.4	0	0	112.8	N65 Y70	N65-E68 PolarHBondContact O-N 3.04Å; N65-E68 PolarHBondContact OD1-N 2.75Å; E68-Y70 HydrophobicContact CB-CD1 3.67Å; E68-Y70 HydrophobicContact CB-CE1 3.47Å; E68-Y70 VanDerWaalsContact CB-CE1 3.47Å; E68-Y70 HydrophobicContact CG-CE1 4.37Å; E68-Y70 VanDerWaalsContact OE2-CE1 3.26Å; E68-Y70 WeakPolarHBondContact OE2-CE1 3.38Å
69	G	89.8	Confident	95.1	Very high	69 Å²	69	57.7 Å²	57.7	71%	0.711	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	35.9	172.6	0	0	0	0	0	114.2	N65	N65-G69 WeakPolarHBondContact O-CA 3.41Å; N65-G69 PolarHBondContact O-N 3.26Å
70	Y	91.3	Very high	94.9	Very high	60 Å²	60	58.3 Å²	58.3	24%	0.235	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	159.6	174.9	71.8	-95.3	0	0	0	113.4	N65 E68 R79	N65-Y70 HydrophobicContact CB-CD1 4.33Å; N65-Y70 HydrophobicContact CB-CD2 4.4Å; N65-Y70 HydrophobicContact CB-CE1 4.02Å; N65-Y70 HydrophobicContact CB-CE2 4.07Å; N65-Y70 PolarHBondContact N-O 3.32Å; N65-Y70 PolarHBondContact ND2-OH 3.09Å; N65-Y70 VanDerWaalsContact ND2-OH 3.16Å; N65-Y70 PolarHBondContact O-N 3.09Å; E68-Y70 HydrophobicContact CB-CD1 3.67Å; E68-Y70 HydrophobicContact CB-CE1 3.47Å; E68-Y70 VanDerWaalsContact CB-CE1 3.47Å; E68-Y70 HydrophobicContact CG-CE1 4.37Å; E68-Y70 VanDerWaalsContact OE2-CE1 3.26Å; E68-Y70 WeakPolarHBondContact OE2-CE1 3.38Å; Y70-R79 HydrophobicContact CD2-CB 4.08Å; Y70-R79 HydrophobicContact CD2-CG 3.69Å; Y70-R79 HydrophobicContact CE2-CG 4.49Å; Y70-R79 HydrophobicContact CG-CG 3.74Å
71	T	96.1	Very high	94.7	Very high	44 Å²	44	57.5 Å²	57.5	27%	0.27	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131	173.2	-48.8	0	0	0	0	110.2	I62 Y63 F73 G80	I62-T71 HydrophobicContact CG2-CG2 3.45Å; I62-T71 VanDerWaalsContact CG2-CG2 3.45Å; Y63-T71 WeakPolarHBondContact O-CA 3.38Å; T71-F73 HydrophobicContact CG2-CD2 4.44Å; T71-F73 HydrophobicContact CG2-CE1 4.14Å; T71-F73 HydrophobicContact CG2-CE2 3.76Å; T71-F73 HydrophobicContact CG2-CZ 3.59Å; T71-F73 WeakPolarHBondContact O-CD2 3.5Å; T71-F73 WeakPolarHBondContact O-CE2 3.39Å; T71-G80 PolarHBondContact O-N 2.96Å
72	G	97.2	Very high	94.7	Very high	2 Å²	2	58 Å²	58	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	145	171.1	0	0	0	0	0	111.4	I62 Y63 Q77	I62-G72 WeakPolarHBondContact CA-O 3.23Å; Y63-G72 PolarHBondContact N-O 3.04Å; Y63-G72 PolarHBondContact O-N 3.15Å; G72-Q77 PolarHBondContact O-OE1 2.89Å
73	F	97.7	Very high	94.7	Very high	36 Å²	36	56 Å²	56	16%	0.158	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.2	-176.2	-62.6	-93.4	0	0	0	113	I62 T71 Q77 M78 C96 L99 L100	I62-F73 HydrophobicContact CG1-CD1 4.33Å; I62-F73 HydrophobicContact CG2-CD1 4.44Å; I62-F73 HydrophobicContact CG2-CE1 4.25Å; T71-F73 HydrophobicContact CG2-CD2 4.44Å; T71-F73 HydrophobicContact CG2-CE1 4.14Å; T71-F73 HydrophobicContact CG2-CE2 3.76Å; T71-F73 HydrophobicContact CG2-CZ 3.59Å; T71-F73 WeakPolarHBondContact O-CD2 3.5Å; T71-F73 WeakPolarHBondContact O-CE2 3.39Å; F73-Q77 WeakPolarHBondContact O-CA 3.34Å; F73-Q77 PolarHBondContact O-N 3.18Å; F73-M78 PolarHBondContact N-O 3.17Å; F73-M78 PolarHBondContact O-N 2.74Å; F73-C96 HydrophobicContact CB-CB 4.47Å; F73-C96 HydrophobicContact CD1-CB 3.71Å; F73-C96 HydrophobicContact CD2-CB 3.82Å; F73-C96 HydrophobicContact CE1-CB 3.79Å; F73-C96 HydrophobicContact CE2-CB 3.9Å; F73-C96 HydrophobicContact CG-CB 3.74Å; F73-C96 HydrophobicContact CZ-CB 3.88Å; F73-L99 HydrophobicContact CB-CB 4.36Å; F73-L99 HydrophobicContact CB-CD1 4.21Å; F73-L100 HydrophobicContact CB-CD2 4.27Å; F73-L100 HydrophobicContact CD1-CD1 4.34Å; F73-L100 HydrophobicContact CD1-CD2 4.31Å; F73-L100 HydrophobicContact CD1-CG 4.49Å
74	G	98.1	Very high	94.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.5	-161.9	167.8	0	0	0	0	0	114.8	P59 A61 F76 Q77	P59-G74 WeakPolarHBondContact O-CA 3.43Å; A61-G74 PolarHBondContact O-N 2.99Å; G74-F76 PolarHBondContact O-N 2.91Å; G74-F76 VanDerWaalsContact O-N 3.14Å; G74-Q77 PolarHBondContact O-N 3.16Å; G74-Q77 VanDerWaalsContact O-N 3.1Å; G74-Q77 PolarHBondContact O-NE2 3.32Å
75	L	98.5	Very high	94.8	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-37.6	-171.2	-170.9	71.4	0	0	0	114	V27 L31 A51 S55 L104 T107	V27-L75 HydrophobicContact CG1-CD2 4.14Å; V27-L75 HydrophobicContact CG2-CD1 4.49Å; L31-L75 HydrophobicContact CD2-CD2 4.21Å; A51-L75 HydrophobicContact CB-CD1 4.02Å; A51-L75 HydrophobicContact CB-CD2 3.93Å; A51-L75 HydrophobicContact CB-CG 3.75Å; S55-L75 WeakPolarHBondContact CB-O 3.26Å; S55-L75 WeakPolarHBondContact OG-CA 3.48Å; S55-L75 PolarHBondContact OG-O 2.86Å; L75-L104 HydrophobicContact CB-CD2 3.96Å; L75-L104 HydrophobicContact CD2-CD1 3.75Å; L75-L104 HydrophobicContact CD2-CD2 3.84Å; L75-L104 HydrophobicContact CD2-CG 4.47Å; L75-L104 HydrophobicContact CG-CD2 4.4Å; L75-T107 HydrophobicContact CB-CG2 4.12Å
76	F	98.8	Very high	94.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.8	14.2	-176.6	-61.3	-53.1	0	0	0	113.2	L31 W47 L50 A51 G74 M78 T107 A111 W124	L31-F76 HydrophobicContact CD1-CZ 4.2Å; L31-F76 HydrophobicContact CD2-CE2 4.08Å; L31-F76 HydrophobicContact CD2-CZ 3.76Å; W47-F76 HydrophobicContact CE3-CE1 4.22Å; W47-F76 HydrophobicContact CE3-CE2 4.24Å; W47-F76 AromaticContact CE3-CZ 3.79Å; W47-F76 HydrophobicContact CE3-CZ 3.79Å; W47-F76 HydrophobicContact CZ3-CE2 4.49Å; W47-F76 HydrophobicContact CZ3-CZ 4.44Å; W47-F76 WeakPolarHBondContact O-CE1 3.13Å; L50-F76 HydrophobicContact CB-CE1 4.42Å; L50-F76 HydrophobicContact CD2-CD1 3.75Å; L50-F76 HydrophobicContact CD2-CE1 4.05Å; L50-F76 HydrophobicContact CD2-CG 4.4Å; L50-F76 HydrophobicContact CG-CD1 3.8Å; L50-F76 HydrophobicContact CG-CE1 4.16Å; A51-F76 HydrophobicContact CB-CD1 4.16Å; A51-F76 HydrophobicContact CB-CE1 3.66Å; G74-F76 PolarHBondContact O-N 2.91Å; G74-F76 VanDerWaalsContact O-N 3.14Å; F76-M78 VanDerWaalsContact C-N 3.28Å; F76-M78 HydrophobicContact CB-CE 3.96Å; F76-M78 HydrophobicContact CB-CG 4.3Å; F76-M78 HydrophobicContact CD2-CE 3.78Å; F76-M78 HydrophobicContact CG-CE 4.36Å; F76-M78 PolarHBondContact O-N 3.02Å; F76-M78 VanDerWaalsContact O-N 3.14Å; F76-T107 HydrophobicContact CD2-CG2 3.82Å; F76-T107 HydrophobicContact CE2-CG2 4.32Å; F76-A111 HydrophobicContact CD2-CB 4.04Å; F76-A111 HydrophobicContact CE2-CB 4.04Å; F76-W124 HydrophobicContact CB-CZ2 4.25Å; F76-W124 PolarHBondContact O-NE1 2.95Å
77	Q	98.1	Very high	94	Very high	17 Å²	17	52.4 Å²	52.4	8%	0.079	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	46	48.2	177.6	-67.7	-60.9	-64.1	0	0	114	E54 A61 Y63 G72 F73 G74 R79	E54-Q77 HydrophobicContact CB-CB 4.22Å; E54-Q77 HydrophobicContact CB-CG 3.98Å; E54-Q77 VanDerWaalsContact O-CG 3.31Å; E54-Q77 WeakPolarHBondContact O-CG 3.4Å; E54-Q77 WeakPolarHBondContact OE2-CB 3.31Å; A61-Q77 PolarHBondContact O-NE2 3.4Å; Y63-Q77 HydrophobicContact CD2-CG 3.95Å; Y63-Q77 HydrophobicContact CE2-CG 4.43Å; G72-Q77 PolarHBondContact O-OE1 2.89Å; F73-Q77 WeakPolarHBondContact O-CA 3.34Å; F73-Q77 PolarHBondContact O-N 3.18Å; G74-Q77 PolarHBondContact O-N 3.16Å; G74-Q77 VanDerWaalsContact O-N 3.1Å; G74-Q77 PolarHBondContact O-NE2 3.32Å; Q77-R79 PolarHBondContact O-N 3.07Å
78	M	97.7	Very high	93.8	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	128.6	-176.3	-61.5	176.5	-175.4	0	0	110.4	F73 F76 G80 W83 L99 T107 C110 A111 I114 W124	F73-M78 PolarHBondContact N-O 3.17Å; F73-M78 PolarHBondContact O-N 2.74Å; F76-M78 VanDerWaalsContact C-N 3.28Å; F76-M78 HydrophobicContact CB-CE 3.96Å; F76-M78 HydrophobicContact CB-CG 4.3Å; F76-M78 HydrophobicContact CD2-CE 3.78Å; F76-M78 HydrophobicContact CG-CE 4.36Å; F76-M78 PolarHBondContact O-N 3.02Å; F76-M78 VanDerWaalsContact O-N 3.14Å; M78-G80 PolarHBondContact O-N 3.17Å; M78-W83 HydrophobicContact CB-CB 4.36Å; M78-L99 HydrophobicContact CB-CD1 3.95Å; M78-L99 HydrophobicContact CG-CD1 4.46Å; M78-L99 HydrophobicContact SD-CD1 3.93Å; M78-L99 HydrophobicContact SD-CD2 4.11Å; M78-T107 HydrophobicContact CE-CG2 4.08Å; M78-T107 VanDerWaalsContact CE-O 3.29Å; M78-T107 WeakPolarHBondContact CE-O 3.17Å; M78-C110 HydrophobicContact CE-CB 4.18Å; M78-C110 HydrophobicContact SD-CB 3.67Å; M78-C110 PolarHBondContact SD-SG 3.23Å; M78-A111 HydrophobicContact CE-CB 3.73Å; M78-I114 HydrophobicContact CE-CD1 4.07Å; M78-I114 HydrophobicContact CG-CD1 3.9Å; M78-I114 HydrophobicContact SD-CD1 3.83Å; M78-W124 HydrophobicContact CE-CZ2 4.35Å
79	R	95.1	Very high	94.1	Very high	95 Å²	95	47.2 Å²	47.2	36%	0.358	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	121.4	-177.5	179.9	161.8	79.8	-178.7	3.7	112.2	Y70 Q77 S81 D82 W83	Y70-R79 HydrophobicContact CD2-CB 4.08Å; Y70-R79 HydrophobicContact CD2-CG 3.69Å; Y70-R79 HydrophobicContact CE2-CG 4.49Å; Y70-R79 HydrophobicContact CG-CG 3.74Å; Q77-R79 PolarHBondContact O-N 3.07Å; R79-S81 VanDerWaalsContact C-N 3.29Å; R79-S81 VanDerWaalsContact CD-OG 3.26Å; R79-S81 WeakPolarHBondContact CD-OG 3.36Å; R79-S81 WeakPolarHBondContact CG-OG 3.43Å; R79-S81 PolarHBondContact NE-OG 2.82Å; R79-S81 PolarHBondContact O-N 3.05Å; R79-D82 IonicContact CZ-OD2 2.97Å; R79-D82 IonicContact NE-OD2 2.66Å; R79-D82 PolarHBondContact NE-OD2 2.97Å; R79-D82 IonicContact NH2-OD1 3.98Å; R79-D82 IonicContact NH2-OD2 2.56Å; R79-D82 PolarHBondContact NH2-OD2 2.92Å; R79-D82 PolarHBondContact O-N 3.46Å; R79-W83 PolarHBondContact O-N 3.4Å
80	G	94.8	Very high	94.4	Very high	14 Å²	14	45.4 Å²	45.4	14%	0.144	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-24.9	178.6	0	0	0	0	0	115.2	T71 M78 D82	T71-G80 PolarHBondContact O-N 2.96Å; M78-G80 PolarHBondContact O-N 3.17Å; G80-D82 VanDerWaalsContact C-N 3.33Å; G80-D82 PolarHBondContact O-N 2.96Å
81	S	92.9	Very high	94.7	Very high	52 Å²	52	48.1 Å²	48.1	36%	0.364	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-16.7	177.8	53.5	0	0	0	0	114.2	R79 G88 R89	R79-S81 VanDerWaalsContact C-N 3.29Å; R79-S81 VanDerWaalsContact CD-OG 3.26Å; R79-S81 WeakPolarHBondContact CD-OG 3.36Å; R79-S81 WeakPolarHBondContact CG-OG 3.43Å; R79-S81 PolarHBondContact NE-OG 2.82Å; R79-S81 PolarHBondContact O-N 3.05Å; S81-G88 VanDerWaalsContact O-CA 3.25Å; S81-G88 WeakPolarHBondContact O-CA 3.5Å; S81-R89 PolarHBondContact O-N 2.89Å
82	D	95.5	Very high	94.8	Very high	12 Å²	12	46.4 Å²	46.4	6%	0.064	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-44.4	177.7	-73.1	-65.2	0	0	0	114.6	R79 G80 R89 N90 R91	R79-D82 IonicContact CZ-OD2 2.97Å; R79-D82 IonicContact NE-OD2 2.66Å; R79-D82 PolarHBondContact NE-OD2 2.97Å; R79-D82 IonicContact NH2-OD1 3.98Å; R79-D82 IonicContact NH2-OD2 2.56Å; R79-D82 PolarHBondContact NH2-OD2 2.92Å; R79-D82 PolarHBondContact O-N 3.46Å; G80-D82 VanDerWaalsContact C-N 3.33Å; G80-D82 PolarHBondContact O-N 2.96Å; D82-R89 CarbonylContact O-C 3.53Å; D82-R89 WeakPolarHBondContact OD1-CD 3.45Å; D82-R89 IonicContact OD1-CZ 3.55Å; D82-R89 IonicContact OD1-NE 3.67Å; D82-R89 IonicContact OD1-NH1 2.86Å; D82-R89 PolarHBondContact OD1-NH1 3.19Å; D82-N90 PolarHBondContact O-N 3.05Å; D82-R91 WeakPolarHBondContact O-CG 3.03Å; D82-R91 PolarHBondContact O-N 3.35Å
83	W	97.5	Very high	94.8	Very high	51 Å²	51	54 Å²	54	19%	0.193	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-30.2	-158.4	-60.9	113.2	0	0	0	113.1	M78 R79 R91 C92 I114	M78-W83 HydrophobicContact CB-CB 4.36Å; R79-W83 PolarHBondContact O-N 3.4Å; W83-R91 HydrophobicContact CE3-CB 3.65Å; W83-R91 HydrophobicContact CE3-CG 4.39Å; W83-R91 HydrophobicContact CZ3-CB 3.82Å; W83-R91 HydrophobicContact CZ3-CG 4.37Å; W83-C92 WeakPolarHBondContact O-CB 3.5Å; W83-C92 PolarHBondContact O-N 2.88Å; W83-I114 HydrophobicContact CD2-CD1 3.84Å; W83-I114 HydrophobicContact CD2-CG1 3.5Å; W83-I114 HydrophobicContact CE3-CD1 4.21Å; W83-I114 HydrophobicContact CE3-CG1 3.43Å; W83-I114 VanDerWaalsContact CE3-CG1 3.43Å; W83-I114 HydrophobicContact CG-CD1 3.99Å; W83-I114 HydrophobicContact CG-CG1 4.19Å; W83-I114 HydrophobicContact CH2-CB 4.1Å; W83-I114 HydrophobicContact CH2-CG1 3.76Å; W83-I114 HydrophobicContact CH2-CG2 4.02Å; W83-I114 HydrophobicContact CZ2-CB 4.27Å; W83-I114 HydrophobicContact CZ2-CG1 3.82Å; W83-I114 HydrophobicContact CZ2-CG2 3.83Å; W83-I114 HydrophobicContact CZ3-CB 4.24Å; W83-I114 HydrophobicContact CZ3-CG1 3.57Å
84	C	97.8	Very high	94.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	-142.2	175.3	-176.2	60.9	0	0	0	0	111.7	N90 M94 C96 L99	C84-N90 WeakPolarHBondContact CA-OD1 3.44Å; C84-M94 CarbonylContact C-O 3.48Å; C84-M94 VanDerWaalsContact CA-O 3.31Å; C84-M94 WeakPolarHBondContact CA-O 3.23Å; C84-M94 HydrophobicContact CB-CG 4.37Å; C84-M94 WeakPolarHBondContact CB-O 3.46Å; C84-C96 HydrophobicContact CB-CB 3.99Å; C84-C96 WeakPolarHBondContact CB-SG 3.42Å; C84-C96 WeakPolarHBondContact SG-CA 3.28Å; C84-C96 WeakPolarHBondContact SG-CB 3.45Å; C84-C96 CovalentContact SG-SG 2.05Å; C84-C96 PolarHBondContact SG-SG 3.31Å; C84-L99 HydrophobicContact CB-CD1 3.94Å
85	G	93.9	Very high	94.8	Very high	10 Å²	10	55.8 Å²	55.8	10%	0.103	28%	0.277	C	S	.	.	S	Bend	trans	78.8	177.9	172.4	0	0	0	0	0	114.4	N90 M94 C96	G85-N90 VanDerWaalsContact O-CB 3.24Å; G85-N90 WeakPolarHBondContact O-CB 3.39Å; G85-N90 PolarHBondContact O-ND2 3.47Å; G85-M94 PolarHBondContact N-O 3.26Å; G85-C96 PolarHBondContact N-SG 3.39Å; G85-C96 VanDerWaalsContact N-SG 3.44Å
86	D	84	Confident	94.7	Very high	138 Å²	138	56.5 Å²	56.5	74%	0.738	28%	0.282	S	S	*	.	S	Bend	trans	-98.2	-14.2	-169.1	-56.1	-37.8	0	0	0	113.3
87	H	81.6	Confident	94.6	Very high	191 Å²	191	60.4 Å²	60.4	88%	0.884	31%	0.309	S	S	*	.	S	Bend	trans	-106	38.2	-172.1	-61	-53	0	0	0	113.5
88	G	85.3	Confident	94.6	Very high	40 Å²	40	60.9 Å²	60.9	41%	0.412	32%	0.316	S	S	.	.	S	Bend	trans	-168.3	-159.4	-174.7	0	0	0	0	0	113.1	S81 N90	S81-G88 VanDerWaalsContact O-CA 3.25Å; S81-G88 WeakPolarHBondContact O-CA 3.5Å; G88-N90 VanDerWaalsContact C-N 3.3Å; G88-N90 PolarHBondContact O-N 3.01Å
89	R	94.8	Very high	94.6	Very high	159 Å²	159	60.8 Å²	60.8	60%	0.6	32%	0.316	S	S	*	.			trans	-74.5	-21.2	-178.3	-56.8	-174.8	179.3	153.1	-11	113.6	S81 D82 R91	S81-R89 PolarHBondContact O-N 2.89Å; D82-R89 CarbonylContact O-C 3.53Å; D82-R89 WeakPolarHBondContact OD1-CD 3.45Å; D82-R89 IonicContact OD1-CZ 3.55Å; D82-R89 IonicContact OD1-NE 3.67Å; D82-R89 IonicContact OD1-NH1 2.86Å; D82-R89 PolarHBondContact OD1-NH1 3.19Å; R89-R91 VanDerWaalsContact C-N 3.28Å; R89-R91 HydrophobicContact CB-CG 4.04Å; R89-R91 VanDerWaalsContact CD-NH2 3.29Å; R89-R91 PolarHBondContact O-N 2.8Å; R89-R91 VanDerWaalsContact O-N 3.14Å
90	N	96.4	Very high	94.7	Very high	30 Å²	30	58.1 Å²	58.1	16%	0.16	31%	0.308	C	S	.	.			trans	41	50.8	179.1	-166	3.6	0	0	0	114	D82 C84 G85 G88 C92 H93 M94	D82-N90 PolarHBondContact O-N 3.05Å; C84-N90 WeakPolarHBondContact CA-OD1 3.44Å; G85-N90 VanDerWaalsContact O-CB 3.24Å; G85-N90 WeakPolarHBondContact O-CB 3.39Å; G85-N90 PolarHBondContact O-ND2 3.47Å; G88-N90 VanDerWaalsContact C-N 3.3Å; G88-N90 PolarHBondContact O-N 3.01Å; N90-C92 PolarHBondContact O-N 3.18Å; N90-C92 VanDerWaalsContact O-N 3.12Å; N90-H93 PolarHBondContact O-N 2.73Å; N90-H93 PolarHBondContact O-ND1 3.2Å; N90-H93 WeakPolarHBondContact OD1-CA 3.21Å; N90-H93 PolarHBondContact OD1-N 3.02Å; N90-H93 VanDerWaalsContact OD1-N 3.17Å; N90-M94 PolarHBondContact OD1-N 2.81Å; N90-M94 PolarHBondContact OD1-O 2.92Å; N90-M94 VanDerWaalsContact OD1-O 3.1Å
91	R	97.4	Very high	94.8	Very high	117 Å²	117	61.2 Å²	61.2	44%	0.442	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-19.2	-172.9	-66.8	176.1	-176.4	-78.8	5.3	113.6	D82 W83 R89	D82-R91 WeakPolarHBondContact O-CG 3.03Å; D82-R91 PolarHBondContact O-N 3.35Å; W83-R91 HydrophobicContact CE3-CB 3.65Å; W83-R91 HydrophobicContact CE3-CG 4.39Å; W83-R91 HydrophobicContact CZ3-CB 3.82Å; W83-R91 HydrophobicContact CZ3-CG 4.37Å; R89-R91 VanDerWaalsContact C-N 3.28Å; R89-R91 HydrophobicContact CB-CG 4.04Å; R89-R91 VanDerWaalsContact CD-NH2 3.29Å; R89-R91 PolarHBondContact O-N 2.8Å; R89-R91 VanDerWaalsContact O-N 3.14Å
92	C	98.1	Very high	94.9	Very high	8 Å²	8	60.3 Å²	60.3	5%	0.054	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-2.2	174.1	-60.4	0	0	0	0	113.8	W83 N90 M94 C110	W83-C92 WeakPolarHBondContact O-CB 3.5Å; W83-C92 PolarHBondContact O-N 2.88Å; N90-C92 PolarHBondContact O-N 3.18Å; N90-C92 VanDerWaalsContact O-N 3.12Å; C92-M94 HydrophobicContact CB-CE 4.04Å; C92-M94 HydrophobicContact CB-CG 4.02Å; C92-M94 HydrophobicContact CB-SD 4.23Å; C92-M94 PolarHBondContact O-N 3.21Å; C92-C110 HydrophobicContact CB-CB 3.64Å; C92-C110 WeakPolarHBondContact CB-SG 3.26Å; C92-C110 WeakPolarHBondContact SG-CA 3.26Å; C92-C110 WeakPolarHBondContact SG-CB 3.44Å; C92-C110 CovalentContact SG-SG 2.03Å; C92-C110 PolarHBondContact SG-SG 3.24Å
93	H	97.1	Very high	95	Very high	163 Å²	163	64.1 Å²	64.1	76%	0.755	34%	0.335	S	S	*	.			trans	53.8	51.5	178.4	-53.9	-64.6	0	0	0	113.2	N90	N90-H93 PolarHBondContact O-N 2.73Å; N90-H93 PolarHBondContact O-ND1 3.2Å; N90-H93 WeakPolarHBondContact OD1-CA 3.21Å; N90-H93 PolarHBondContact OD1-N 3.02Å; N90-H93 VanDerWaalsContact OD1-N 3.17Å
94	M	97.6	Very high	95	Very high	23 Å²	23	61.7 Å²	61.7	11%	0.113	33%	0.326	C	S	.	.	S	Bend	trans	-153.3	158.6	-179.4	61.6	-178.4	63.8	0	0	112.3	C84 G85 N90 C92 A98 L99 K106 K109 C110	C84-M94 CarbonylContact C-O 3.48Å; C84-M94 VanDerWaalsContact CA-O 3.31Å; C84-M94 WeakPolarHBondContact CA-O 3.23Å; C84-M94 HydrophobicContact CB-CG 4.37Å; C84-M94 WeakPolarHBondContact CB-O 3.46Å; G85-M94 PolarHBondContact N-O 3.26Å; N90-M94 PolarHBondContact OD1-N 2.81Å; N90-M94 PolarHBondContact OD1-O 2.92Å; N90-M94 VanDerWaalsContact OD1-O 3.1Å; C92-M94 HydrophobicContact CB-CE 4.04Å; C92-M94 HydrophobicContact CB-CG 4.02Å; C92-M94 HydrophobicContact CB-SD 4.23Å; C92-M94 PolarHBondContact O-N 3.21Å; M94-A98 HydrophobicContact CB-CB 4.41Å; M94-L99 HydrophobicContact SD-CD2 3.58Å; M94-L99 VanDerWaalsContact SD-CD2 3.58Å; M94-L99 HydrophobicContact SD-CG 4.33Å; M94-K106 HydrophobicContact CE-CB 4.32Å; M94-K106 HydrophobicContact CE-CD 4.4Å; M94-K106 HydrophobicContact SD-CB 4.09Å; M94-K109 HydrophobicContact CE-CD 4.33Å; M94-C110 HydrophobicContact CE-CB 4.26Å; M94-C110 HydrophobicContact SD-CB 4.12Å
95	S	97.3	Very high	95	Very high	50 Å²	50	67 Å²	67	35%	0.35	35%	0.351	S	S	.	.			trans	-68.4	150.5	171.3	67.6	0	0	0	0	111	S97 A98	S95-S97 WeakPolarHBondContact CB-OG 3.26Å; S95-S97 PolarHBondContact O-N 2.99Å; S95-S97 PolarHBondContact OG-OG 3.22Å; S95-A98 VanDerWaalsContact O-CB 3.26Å; S95-A98 WeakPolarHBondContact O-CB 3.49Å; S95-A98 PolarHBondContact O-N 3.22Å; S95-A98 VanDerWaalsContact O-N 3.09Å; S95-A98 PolarHBondContact OG-N 3.02Å
96	C	97.6	Very high	95.3	Very high	15 Å²	15	70.5 Å²	70.5	10%	0.101	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-66.3	-26.4	174.2	-64.1	0	0	0	0	112.7	F73 C84 G85 A98 L99	F73-C96 HydrophobicContact CB-CB 4.47Å; F73-C96 HydrophobicContact CD1-CB 3.71Å; F73-C96 HydrophobicContact CD2-CB 3.82Å; F73-C96 HydrophobicContact CE1-CB 3.79Å; F73-C96 HydrophobicContact CE2-CB 3.9Å; F73-C96 HydrophobicContact CG-CB 3.74Å; F73-C96 HydrophobicContact CZ-CB 3.88Å; C84-C96 HydrophobicContact CB-CB 3.99Å; C84-C96 WeakPolarHBondContact CB-SG 3.42Å; C84-C96 WeakPolarHBondContact SG-CA 3.28Å; C84-C96 WeakPolarHBondContact SG-CB 3.45Å; C84-C96 CovalentContact SG-SG 2.05Å; C84-C96 PolarHBondContact SG-SG 3.31Å; G85-C96 PolarHBondContact N-SG 3.39Å; G85-C96 VanDerWaalsContact N-SG 3.44Å; C96-A98 PolarHBondContact O-N 3.14Å; C96-L99 WeakPolarHBondContact O-CB 3.43Å; C96-L99 PolarHBondContact O-N 2.77Å; C96-L99 VanDerWaalsContact O-N 3.09Å
97	S	96.5	Very high	96	Very high	82 Å²	82	64 Å²	64	57%	0.573	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-61.6	-27.6	171.5	56.7	0	0	0	0	113.2	S95 L99 L100	S95-S97 WeakPolarHBondContact CB-OG 3.26Å; S95-S97 PolarHBondContact O-N 2.99Å; S95-S97 PolarHBondContact OG-OG 3.22Å; S97-L99 PolarHBondContact O-N 3.35Å; S97-L100 PolarHBondContact O-N 2.99Å; S97-L100 VanDerWaalsContact O-N 3.15Å
98	A	97.6	Very high	96.8	Very high	27 Å²	27	55.3 Å²	55.3	22%	0.223	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-66.1	-21.3	176.1	0	0	0	0	0	112.9	M94 S95 C96 K106	M94-A98 HydrophobicContact CB-CB 4.41Å; S95-A98 VanDerWaalsContact O-CB 3.26Å; S95-A98 WeakPolarHBondContact O-CB 3.49Å; S95-A98 PolarHBondContact O-N 3.22Å; S95-A98 VanDerWaalsContact O-N 3.09Å; S95-A98 PolarHBondContact OG-N 3.02Å; C96-A98 PolarHBondContact O-N 3.14Å; A98-K106 HydrophobicContact CB-CB 4.33Å; A98-K106 HydrophobicContact CB-CG 4.27Å; A98-K106 WeakPolarHBondContact O-CB 3.38Å
99	L	98.1	Very high	97.4	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-83.7	-14.7	177	-56.8	179.3	0	0	0	113.1	F73 M78 C84 M94 C96 S97 N101 T107 C110	F73-L99 HydrophobicContact CB-CB 4.36Å; F73-L99 HydrophobicContact CB-CD1 4.21Å; M78-L99 HydrophobicContact CB-CD1 3.95Å; M78-L99 HydrophobicContact CG-CD1 4.46Å; M78-L99 HydrophobicContact SD-CD1 3.93Å; M78-L99 HydrophobicContact SD-CD2 4.11Å; C84-L99 HydrophobicContact CB-CD1 3.94Å; M94-L99 HydrophobicContact SD-CD2 3.58Å; M94-L99 VanDerWaalsContact SD-CD2 3.58Å; M94-L99 HydrophobicContact SD-CG 4.33Å; C96-L99 WeakPolarHBondContact O-CB 3.43Å; C96-L99 PolarHBondContact O-N 2.77Å; C96-L99 VanDerWaalsContact O-N 3.09Å; S97-L99 PolarHBondContact O-N 3.35Å; L99-N101 VanDerWaalsContact C-N 3.29Å; L99-N101 PolarHBondContact O-N 3.14Å; L99-T107 PolarHBondContact O-OG1 3.1Å; L99-C110 HydrophobicContact CD2-CB 4.11Å
100	L	97.3	Very high	97.6	Very high	38 Å²	38	51.6 Å²	51.6	20%	0.199	27%	0.265	C	S	.	.	S	Bend	trans	-91.2	58.3	-178.9	-55.7	177.1	0	0	0	110.5	P59 M60 I62 F73 S97	P59-L100 WeakPolarHBondContact O-CA 3.4Å; M60-L100 HydrophobicContact CG-CB 4.45Å; I62-L100 HydrophobicContact CD1-CD1 3.61Å; I62-L100 HydrophobicContact CD1-CD2 4.42Å; I62-L100 HydrophobicContact CG1-CD1 3.92Å; I62-L100 HydrophobicContact CG1-CD2 3.78Å; F73-L100 HydrophobicContact CB-CD2 4.27Å; F73-L100 HydrophobicContact CD1-CD1 4.34Å; F73-L100 HydrophobicContact CD1-CD2 4.31Å; F73-L100 HydrophobicContact CD1-CG 4.49Å; S97-L100 PolarHBondContact O-N 2.99Å; S97-L100 VanDerWaalsContact O-N 3.15Å
101	N	95.9	Very high	97.7	Very high	79 Å²	79	50.2 Å²	50.2	42%	0.422	26%	0.257	S	S	.	.			trans	-140.9	122.5	-173.2	-168.5	-30.1	0	0	0	112.4	P59 L99 N103 L104	P59-N101 PolarHBondContact O-N 3.34Å; L99-N101 VanDerWaalsContact C-N 3.29Å; L99-N101 PolarHBondContact O-N 3.14Å; N101-N103 PolarHBondContact O-N 3.42Å; N101-N103 WeakPolarHBondContact OD1-CB 3.42Å; N101-N103 PolarHBondContact OD1-N 2.88Å; N101-L104 PolarHBondContact O-N 3.07Å
102	P	96.3	Very high	97.8	Very high	33 Å²	33	47.1 Å²	47.1	21%	0.214	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-14.6	175.6	-22.7	32.6	0	0	0	115.5	Y20 L22 K30 P59 M60 L104	Y20-P102 HydrophobicContact CD1-CG 3.56Å; Y20-P102 HydrophobicContact CE1-CG 4.18Å; Y20-P102 HydrophobicContact CG-CG 3.93Å; L22-P102 HydrophobicContact CD2-CB 4.46Å; K30-P102 WeakPolarHBondContact CE-O 3.29Å; K30-P102 PolarHBondContact NZ-O 3.22Å; K30-P102 VanDerWaalsContact NZ-O 3.07Å; P59-P102 HydrophobicContact CG-CB 4.02Å; P59-P102 HydrophobicContact CG-CG 3.95Å; M60-P102 HydrophobicContact SD-CG 4.16Å; P102-L104 VanDerWaalsContact C-N 3.29Å
103	N	96.3	Very high	97.8	Very high	92 Å²	92	49.6 Å²	49.6	49%	0.492	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-31	172.4	-176	-72.9	0	0	0	112.2	N101 E105	N101-N103 PolarHBondContact O-N 3.42Å; N101-N103 WeakPolarHBondContact OD1-CB 3.42Å; N101-N103 PolarHBondContact OD1-N 2.88Å; N103-E105 PolarHBondContact O-N 2.99Å; N103-E105 VanDerWaalsContact OD1-CB 3.23Å; N103-E105 WeakPolarHBondContact OD1-CB 3.18Å; N103-E105 PolarHBondContact OD1-N 3.34Å
104	L	98.3	Very high	97.9	Very high	1 Å²	1	42 Å²	42	1%	0.005	23%	0.227	C	C	.	.			trans	64.6	-4.5	179.9	-57.6	179.3	0	0	0	117.2	L22 K30 L31 P59 L75 N101 P102 K106 T107 I108	L22-L104 HydrophobicContact CD1-CD1 4.08Å; L22-L104 HydrophobicContact CD1-CG 4.43Å; K30-L104 HydrophobicContact CB-CD1 3.95Å; K30-L104 HydrophobicContact CD-CD1 3.92Å; K30-L104 HydrophobicContact CD-CG 4.41Å; L31-L104 HydrophobicContact CD2-CD1 4.49Å; P59-L104 HydrophobicContact CB-CD2 3.78Å; L75-L104 HydrophobicContact CB-CD2 3.96Å; L75-L104 HydrophobicContact CD2-CD1 3.75Å; L75-L104 HydrophobicContact CD2-CD2 3.84Å; L75-L104 HydrophobicContact CD2-CG 4.47Å; L75-L104 HydrophobicContact CG-CD2 4.4Å; N101-L104 PolarHBondContact O-N 3.07Å; P102-L104 VanDerWaalsContact C-N 3.29Å; L104-K106 PolarHBondContact O-N 3.41Å; L104-T107 HydrophobicContact CD2-CG2 4.42Å; L104-T107 WeakPolarHBondContact O-CB 3.45Å; L104-T107 PolarHBondContact O-N 2.8Å; L104-I108 HydrophobicContact CB-CD1 4.01Å; L104-I108 HydrophobicContact CB-CG1 4.28Å; L104-I108 WeakPolarHBondContact O-CB 3.44Å; L104-I108 VanDerWaalsContact O-CG1 3.28Å; L104-I108 WeakPolarHBondContact O-CG1 3.4Å; L104-I108 PolarHBondContact O-N 2.86Å
105	E	98.5	Very high	97.9	Very high	111 Å²	111	41.1 Å²	41.1	52%	0.519	22%	0.223	S	C	.	.	H	α-helix	trans	-53	-52.5	-178.9	-176.6	-153	126.5	0	0	113.2	N103 I108 K109	N103-E105 PolarHBondContact O-N 2.99Å; N103-E105 VanDerWaalsContact OD1-CB 3.23Å; N103-E105 WeakPolarHBondContact OD1-CB 3.18Å; N103-E105 PolarHBondContact OD1-N 3.34Å; E105-I108 PolarHBondContact O-N 3.33Å; E105-K109 WeakPolarHBondContact O-CB 3.4Å; E105-K109 PolarHBondContact O-N 3.14Å
106	K	98.6	Very high	98	Very high	83 Å²	83	45.2 Å²	45.2	36%	0.361	24%	0.235	S	C	.	.	H	α-helix	trans	-67.1	-37.9	179.5	-62.7	-55.5	-176	-138.9	0	112.2	M94 A98 L104 K109 C110	M94-K106 HydrophobicContact CE-CB 4.32Å; M94-K106 HydrophobicContact CE-CD 4.4Å; M94-K106 HydrophobicContact SD-CB 4.09Å; A98-K106 HydrophobicContact CB-CB 4.33Å; A98-K106 HydrophobicContact CB-CG 4.27Å; A98-K106 WeakPolarHBondContact O-CB 3.38Å; L104-K106 PolarHBondContact O-N 3.41Å; K106-K109 PolarHBondContact O-N 3.47Å; K106-C110 PolarHBondContact O-N 3.16Å
107	T	98.8	Very high	98	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.248	C	C	.	.	H	α-helix	trans	-59.5	-47.8	174.3	-51.7	0	0	0	0	111.2	L75 F76 M78 L99 L104 C110 A111	L75-T107 HydrophobicContact CB-CG2 4.12Å; F76-T107 HydrophobicContact CD2-CG2 3.82Å; F76-T107 HydrophobicContact CE2-CG2 4.32Å; M78-T107 HydrophobicContact CE-CG2 4.08Å; M78-T107 VanDerWaalsContact CE-O 3.29Å; M78-T107 WeakPolarHBondContact CE-O 3.17Å; L99-T107 PolarHBondContact O-OG1 3.1Å; L104-T107 HydrophobicContact CD2-CG2 4.42Å; L104-T107 WeakPolarHBondContact O-CB 3.45Å; L104-T107 PolarHBondContact O-N 2.8Å; T107-C110 PolarHBondContact O-N 3.46Å; T107-A111 WeakPolarHBondContact O-CB 3.32Å; T107-A111 PolarHBondContact O-N 3.11Å
108	I	98.9	Very high	97.9	Very high	10 Å²	10	53.1 Å²	53.1	5%	0.051	27%	0.267	C	S	.	.	H	α-helix	trans	-64.8	-43.5	177.8	-68.7	168.2	0	0	0	110.6	K30 L31 G34 L36 L104 E105 C110 A111 K112	K30-I108 WeakPolarHBondContact O-CD1 3.37Å; L31-I108 HydrophobicContact CD2-CD1 4.09Å; L31-I108 HydrophobicContact CD2-CG1 3.92Å; G34-I108 WeakPolarHBondContact O-CG2 3.3Å; L36-I108 HydrophobicContact CD1-CB 4.37Å; L36-I108 HydrophobicContact CD1-CG1 3.94Å; L36-I108 HydrophobicContact CD1-CG2 3.94Å; L36-I108 HydrophobicContact CD2-CG2 4.24Å; L36-I108 HydrophobicContact CG-CG2 3.86Å; L104-I108 HydrophobicContact CB-CD1 4.01Å; L104-I108 HydrophobicContact CB-CG1 4.28Å; L104-I108 WeakPolarHBondContact O-CB 3.44Å; L104-I108 VanDerWaalsContact O-CG1 3.28Å; L104-I108 WeakPolarHBondContact O-CG1 3.4Å; L104-I108 PolarHBondContact O-N 2.86Å; E105-I108 PolarHBondContact O-N 3.33Å; I108-C110 VanDerWaalsContact C-N 3.33Å; I108-C110 PolarHBondContact O-N 3.37Å; I108-A111 PolarHBondContact O-N 3.04Å; I108-K112 WeakPolarHBondContact O-CG 3.49Å; I108-K112 PolarHBondContact O-N 3.34Å
109	K	98.8	Very high	97.9	Very high	121 Å²	121	58.7 Å²	58.7	53%	0.526	29%	0.289	S	S	.	.	H	α-helix	trans	-56.2	-47.2	175.8	-176.3	-179.4	178.9	-177.3	0	111.6	M94 E105 K106 K112 T113	M94-K109 HydrophobicContact CE-CD 4.33Å; E105-K109 WeakPolarHBondContact O-CB 3.4Å; E105-K109 PolarHBondContact O-N 3.14Å; K106-K109 PolarHBondContact O-N 3.47Å; K109-K112 PolarHBondContact O-N 3.3Å; K109-T113 PolarHBondContact O-N 3.3Å; K109-T113 PolarHBondContact O-OG1 3.02Å
110	C	98.7	Very high	97.9	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-69.2	-38.6	179.5	-172.5	0	0	0	0	112.1	M78 C92 M94 L99 K106 T107 I108 K112 T113 I114	M78-C110 HydrophobicContact CE-CB 4.18Å; M78-C110 HydrophobicContact SD-CB 3.67Å; M78-C110 PolarHBondContact SD-SG 3.23Å; C92-C110 HydrophobicContact CB-CB 3.64Å; C92-C110 WeakPolarHBondContact CB-SG 3.26Å; C92-C110 WeakPolarHBondContact SG-CA 3.26Å; C92-C110 WeakPolarHBondContact SG-CB 3.44Å; C92-C110 CovalentContact SG-SG 2.03Å; C92-C110 PolarHBondContact SG-SG 3.24Å; M94-C110 HydrophobicContact CE-CB 4.26Å; M94-C110 HydrophobicContact SD-CB 4.12Å; L99-C110 HydrophobicContact CD2-CB 4.11Å; K106-C110 PolarHBondContact O-N 3.16Å; T107-C110 PolarHBondContact O-N 3.46Å; I108-C110 VanDerWaalsContact C-N 3.33Å; I108-C110 PolarHBondContact O-N 3.37Å; C110-K112 VanDerWaalsContact C-N 3.29Å; C110-K112 PolarHBondContact O-N 3.15Å; C110-T113 WeakPolarHBondContact O-CA 3.25Å; C110-T113 WeakPolarHBondContact O-CB 3.45Å; C110-T113 PolarHBondContact O-N 2.88Å; C110-I114 WeakPolarHBondContact O-CG1 3.08Å; C110-I114 PolarHBondContact O-N 2.94Å
111	A	98.8	Very high	98	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.3	-41.5	175.1	0	0	0	0	0	112	W47 F76 M78 T107 I108 T113 I114 V115 W124	W47-A111 HydrophobicContact CH2-CB 4.17Å; W47-A111 HydrophobicContact CZ3-CB 3.84Å; F76-A111 HydrophobicContact CD2-CB 4.04Å; F76-A111 HydrophobicContact CE2-CB 4.04Å; M78-A111 HydrophobicContact CE-CB 3.73Å; T107-A111 WeakPolarHBondContact O-CB 3.32Å; T107-A111 PolarHBondContact O-N 3.11Å; I108-A111 PolarHBondContact O-N 3.04Å; A111-T113 VanDerWaalsContact C-N 3.31Å; A111-T113 PolarHBondContact O-N 3.3Å; A111-I114 PolarHBondContact O-N 3.09Å; A111-V115 PolarHBondContact O-N 3.29Å; A111-W124 HydrophobicContact CB-CH2 4.48Å
112	K	98.8	Very high	98.1	Very high	53 Å²	53	54.5 Å²	54.5	23%	0.23	27%	0.274	C	S	.	.	H	α-helix	trans	-62	-35.7	173.9	-70.3	-173.3	178.9	-174	0	112.9	G34 G35 L36 F39 I108 K109 C110 K116	G34-K112 VanDerWaalsContact O-CE 3.26Å; G34-K112 WeakPolarHBondContact O-CE 3.43Å; G34-K112 PolarHBondContact O-NZ 3.41Å; G35-K112 WeakPolarHBondContact O-CE 3.41Å; G35-K112 PolarHBondContact O-NZ 3.26Å; L36-K112 HydrophobicContact CD2-CD 4.38Å; L36-K112 HydrophobicContact CD2-CG 3.66Å; F39-K112 HydrophobicContact CD1-CB 4.47Å; F39-K112 HydrophobicContact CD1-CG 3.95Å; F39-K112 HydrophobicContact CD2-CD 4.16Å; F39-K112 HydrophobicContact CD2-CG 4.4Å; F39-K112 HydrophobicContact CE1-CB 3.61Å; F39-K112 HydrophobicContact CE1-CD 4.17Å; F39-K112 HydrophobicContact CE1-CG 3.52Å; F39-K112 HydrophobicContact CE2-CB 4.47Å; F39-K112 HydrophobicContact CE2-CD 3.71Å; F39-K112 HydrophobicContact CE2-CG 4.02Å; F39-K112 HydrophobicContact CG-CG 4.36Å; F39-K112 HydrophobicContact CZ-CB 3.59Å; F39-K112 HydrophobicContact CZ-CD 3.69Å; F39-K112 HydrophobicContact CZ-CG 3.54Å; I108-K112 WeakPolarHBondContact O-CG 3.49Å; I108-K112 PolarHBondContact O-N 3.34Å; K109-K112 PolarHBondContact O-N 3.3Å; C110-K112 VanDerWaalsContact C-N 3.29Å; C110-K112 PolarHBondContact O-N 3.15Å; K112-K116 WeakPolarHBondContact O-CG 3.49Å; K112-K116 PolarHBondContact O-N 3.09Å
113	T	98.5	Very high	98.1	Very high	60 Å²	60	54.3 Å²	54.3	37%	0.368	28%	0.275	S	S	.	.	H	α-helix	trans	-66.4	-43.7	174	-60.2	0	0	0	0	111.4	K109 C110 A111	K109-T113 PolarHBondContact O-N 3.3Å; K109-T113 PolarHBondContact O-OG1 3.02Å; C110-T113 WeakPolarHBondContact O-CA 3.25Å; C110-T113 WeakPolarHBondContact O-CB 3.45Å; C110-T113 PolarHBondContact O-N 2.88Å; A111-T113 VanDerWaalsContact C-N 3.31Å; A111-T113 PolarHBondContact O-N 3.3Å
114	I	98.5	Very high	98.2	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.015	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-50.7	-178.9	-63	166.2	0	0	0	110.7	M78 W83 C110 A111 K116 G117 A123 W124	M78-I114 HydrophobicContact CE-CD1 4.07Å; M78-I114 HydrophobicContact CG-CD1 3.9Å; M78-I114 HydrophobicContact SD-CD1 3.83Å; W83-I114 HydrophobicContact CD2-CD1 3.84Å; W83-I114 HydrophobicContact CD2-CG1 3.5Å; W83-I114 HydrophobicContact CE3-CD1 4.21Å; W83-I114 HydrophobicContact CE3-CG1 3.43Å; W83-I114 VanDerWaalsContact CE3-CG1 3.43Å; W83-I114 HydrophobicContact CG-CD1 3.99Å; W83-I114 HydrophobicContact CG-CG1 4.19Å; W83-I114 HydrophobicContact CH2-CB 4.1Å; W83-I114 HydrophobicContact CH2-CG1 3.76Å; W83-I114 HydrophobicContact CH2-CG2 4.02Å; W83-I114 HydrophobicContact CZ2-CB 4.27Å; W83-I114 HydrophobicContact CZ2-CG1 3.82Å; W83-I114 HydrophobicContact CZ2-CG2 3.83Å; W83-I114 HydrophobicContact CZ3-CB 4.24Å; W83-I114 HydrophobicContact CZ3-CG1 3.57Å; C110-I114 WeakPolarHBondContact O-CG1 3.08Å; C110-I114 PolarHBondContact O-N 2.94Å; A111-I114 PolarHBondContact O-N 3.09Å; I114-K116 VanDerWaalsContact C-N 3.26Å; I114-K116 PolarHBondContact O-N 3.34Å; I114-G117 WeakPolarHBondContact O-CA 3.37Å; I114-G117 PolarHBondContact O-N 2.97Å; I114-A123 HydrophobicContact CG2-CB 3.6Å; I114-W124 HydrophobicContact CB-CH2 3.58Å; I114-W124 HydrophobicContact CB-CZ2 4.29Å; I114-W124 HydrophobicContact CB-CZ3 4.1Å; I114-W124 HydrophobicContact CD1-CH2 3.74Å; I114-W124 HydrophobicContact CD1-CZ2 3.54Å; I114-W124 HydrophobicContact CG1-CH2 4.24Å; I114-W124 HydrophobicContact CG1-CZ2 4.49Å; I114-W124 HydrophobicContact CG2-CE3 4.22Å; I114-W124 HydrophobicContact CG2-CH2 3.39Å; I114-W124 HydrophobicContact CG2-CZ2 4.03Å; I114-W124 HydrophobicContact CG2-CZ3 3.48Å; I114-W124 VanDerWaalsContact CG2-CZ3 3.48Å
115	V	98.4	Very high	98.1	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.03	29%	0.285	C	S	.	.	H	α-helix	trans	-71.9	-18.1	-172	80.5	0	0	0	0	113.6	F39 E40 Y42 W47 A111 G117 G120 M121	F39-V115 HydrophobicContact CD1-CG1 3.61Å; F39-V115 HydrophobicContact CE1-CG1 3.46Å; F39-V115 VanDerWaalsContact CE1-CG1 3.46Å; E40-V115 HydrophobicContact CB-CG1 4.4Å; E40-V115 HydrophobicContact CG-CG1 3.96Å; Y42-V115 HydrophobicContact CD2-CG2 3.67Å; Y42-V115 HydrophobicContact CE2-CG2 3.48Å; Y42-V115 VanDerWaalsContact CE2-CG2 3.48Å; W47-V115 HydrophobicContact CH2-CB 3.9Å; W47-V115 HydrophobicContact CH2-CG1 4Å; W47-V115 HydrophobicContact CH2-CG2 4.03Å; W47-V115 HydrophobicContact CZ2-CB 4.26Å; W47-V115 HydrophobicContact CZ2-CG1 4.08Å; W47-V115 HydrophobicContact CZ2-CG2 4.07Å; A111-V115 PolarHBondContact O-N 3.29Å; V115-G117 PolarHBondContact O-N 3.38Å; V115-G120 WeakPolarHBondContact O-CA 3.33Å; V115-M121 HydrophobicContact CG2-CB 4.45Å; V115-M121 HydrophobicContact CG2-CG 3.59Å
116	K	98.4	Very high	98.1	Very high	135 Å²	135	51.7 Å²	51.7	59%	0.587	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.3	167.8	-80.4	175.4	166.5	175.7	0	113.3	F39 E40 K112 I114	F39-K116 HydrophobicContact CE1-CG 4.44Å; F39-K116 HydrophobicContact CZ-CD 4.36Å; F39-K116 HydrophobicContact CZ-CG 4.49Å; E40-K116 HydrophobicContact CG-CG 4.09Å; E40-K116 WeakPolarHBondContact OE1-CE 3.45Å; E40-K116 VanDerWaalsContact OE1-CG 3.32Å; E40-K116 WeakPolarHBondContact OE1-CG 3.31Å; K112-K116 WeakPolarHBondContact O-CG 3.49Å; K112-K116 PolarHBondContact O-N 3.09Å; I114-K116 VanDerWaalsContact C-N 3.26Å; I114-K116 PolarHBondContact O-N 3.34Å
117	G	97	Very high	98.1	Very high	37 Å²	37	48.3 Å²	48.3	38%	0.381	26%	0.255	S	S	.	.	S	Bend	trans	-68.6	166.4	173.6	0	0	0	0	0	112.2	I114 V115 E119 G120	I114-G117 WeakPolarHBondContact O-CA 3.37Å; I114-G117 PolarHBondContact O-N 2.97Å; V115-G117 PolarHBondContact O-N 3.38Å; G117-E119 PolarHBondContact O-N 3.39Å; G117-E119 VanDerWaalsContact O-N 3.08Å; G117-G120 PolarHBondContact O-N 3.29Å
118	K	96.1	Very high	98	Very high	226 Å²	226	50.4 Å²	50.4	98%	0.983	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-28.8	-175.5	-65.8	-174.6	177.2	-175.7	0	114.5
119	E	97.2	Very high	98	Very high	144 Å²	144	59.1 Å²	59.1	67%	0.673	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-10.6	-177.4	-63.1	179.3	149.9	0	0	113	G117 M121 G122 A123	G117-E119 PolarHBondContact O-N 3.39Å; G117-E119 VanDerWaalsContact O-N 3.08Å; E119-M121 PolarHBondContact O-N 2.05Å; E119-G122 VanDerWaalsContact O-CA 3.25Å; E119-G122 WeakPolarHBondContact O-CA 3.37Å; E119-G122 PolarHBondContact O-N 3Å; E119-A123 HydrophobicContact CB-CB 4.24Å
120	G	98.2	Very high	98	Very high	6 Å²	6	58.3 Å²	58.3	6%	0.062	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	57	-136.7	-175.5	0	0	0	0	0	112.4	V115 G117 G122 A123	V115-G120 WeakPolarHBondContact O-CA 3.33Å; G117-G120 PolarHBondContact O-N 3.29Å; G120-G122 PolarHBondContact O-N 3.45Å; G120-A123 WeakPolarHBondContact O-CB 3.01Å; G120-A123 PolarHBondContact O-N 3.35Å
121	M	98.5	Very high	98	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-71.2	-12.1	172.2	-70.7	-169	77.6	0	0	112.6	Y42 N46 W47 L50 V115 E119 A123 W124 W127	Y42-M121 HydrophobicContact CD1-CB 4.11Å; Y42-M121 HydrophobicContact CD1-CG 3.66Å; Y42-M121 HydrophobicContact CD1-SD 3.39Å; Y42-M121 WeakPolarHBondContact CD1-SD 3.47Å; Y42-M121 HydrophobicContact CD2-CG 3.82Å; Y42-M121 HydrophobicContact CD2-SD 4.14Å; Y42-M121 HydrophobicContact CE1-CB 3.76Å; Y42-M121 HydrophobicContact CE1-CG 3.74Å; Y42-M121 HydrophobicContact CE1-SD 4.06Å; Y42-M121 HydrophobicContact CE2-CB 4.47Å; Y42-M121 HydrophobicContact CE2-CG 3.93Å; Y42-M121 HydrophobicContact CG-CG 3.69Å; Y42-M121 HydrophobicContact CG-SD 3.43Å; Y42-M121 PolarHBondContact OH-N 3.25Å; N46-M121 HydrophobicContact CB-CE 4.13Å; N46-M121 HydrophobicContact CB-SD 3.79Å; W47-M121 HydrophobicContact CD2-CE 3.98Å; W47-M121 HydrophobicContact CD2-SD 4.32Å; W47-M121 HydrophobicContact CE3-CE 3.87Å; W47-M121 HydrophobicContact CG-CE 4.47Å; W47-M121 HydrophobicContact CH2-CG 4.38Å; W47-M121 HydrophobicContact CZ2-CG 4.39Å; W47-M121 HydrophobicContact CZ2-SD 4.31Å; W47-M121 HydrophobicContact CZ3-CE 4.18Å; L50-M121 HydrophobicContact CB-CE 4.02Å; L50-M121 HydrophobicContact CD2-CE 3.67Å; L50-M121 HydrophobicContact CG-CE 4.46Å; V115-M121 HydrophobicContact CG2-CB 4.45Å; V115-M121 HydrophobicContact CG2-CG 3.59Å; E119-M121 PolarHBondContact O-N 2.05Å; M121-A123 PolarHBondContact O-N 3.31Å; M121-W124 PolarHBondContact O-N 3.37Å; M121-W127 HydrophobicContact CB-CD2 3.45Å; M121-W127 VanDerWaalsContact CB-CD2 3.45Å; M121-W127 HydrophobicContact CB-CE3 3.59Å; M121-W127 HydrophobicContact CB-CG 3.96Å; M121-W127 HydrophobicContact CB-CH2 4.1Å; M121-W127 HydrophobicContact CB-CZ2 4Å; M121-W127 HydrophobicContact CB-CZ3 3.91Å; M121-W127 VanDerWaalsContact CE-CD1 3.43Å; M121-W127 HydrophobicContact CE-CG 3.98Å; M121-W127 HydrophobicContact SD-CZ2 4.47Å
122	G	98.1	Very high	97.9	Very high	24 Å²	24	61.8 Å²	61.8	25%	0.247	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-63.8	-13.9	172.1	0	0	0	0	0	113.9	E119 G120 W124	E119-G122 VanDerWaalsContact O-CA 3.25Å; E119-G122 WeakPolarHBondContact O-CA 3.37Å; E119-G122 PolarHBondContact O-N 3Å; G120-G122 PolarHBondContact O-N 3.45Å; G122-W124 PolarHBondContact O-N 2.03Å; G122-W124 VanDerWaalsContact O-N 3.14Å
123	A	97.5	Very high	97.8	Very high	29 Å²	29	68.4 Å²	68.4	24%	0.24	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-59.8	-17.9	167.9	0	0	0	0	0	112.9	I114 E119 G120 M121 P125	I114-A123 HydrophobicContact CG2-CB 3.6Å; E119-A123 HydrophobicContact CB-CB 4.24Å; G120-A123 WeakPolarHBondContact O-CB 3.01Å; G120-A123 PolarHBondContact O-N 3.35Å; M121-A123 PolarHBondContact O-N 3.31Å; A123-P125 WeakPolarHBondContact O-CD 3.33Å
124	W	97.7	Very high	97.7	Very high	14 Å²	14	67.1 Å²	67.1	5%	0.053	33%	0.332	C	S	.	.	S	Bend	trans	-104.3	102.3	167.2	-67.6	-92.1	0	0	0	110.1	W47 L50 F76 M78 A111 I114 M121 G122 T126 W127 S128	W47-W124 HydrophobicContact CZ3-CH2 4.33Å; W47-W124 HydrophobicContact CZ3-CZ3 4.49Å; L50-W124 HydrophobicContact CD1-CB 3.58Å; L50-W124 HydrophobicContact CD1-CD2 4.34Å; L50-W124 HydrophobicContact CD1-CG 3.64Å; L50-W124 HydrophobicContact CD2-CB 4.43Å; L50-W124 HydrophobicContact CD2-CD2 3.71Å; L50-W124 HydrophobicContact CD2-CE3 4.01Å; L50-W124 HydrophobicContact CD2-CG 3.92Å; L50-W124 HydrophobicContact CD2-CZ2 4.46Å; L50-W124 HydrophobicContact CD2-CZ3 4.48Å; L50-W124 HydrophobicContact CG-CG 4.42Å; F76-W124 HydrophobicContact CB-CZ2 4.25Å; F76-W124 PolarHBondContact O-NE1 2.95Å; M78-W124 HydrophobicContact CE-CZ2 4.35Å; A111-W124 HydrophobicContact CB-CH2 4.48Å; I114-W124 HydrophobicContact CB-CH2 3.58Å; I114-W124 HydrophobicContact CB-CZ2 4.29Å; I114-W124 HydrophobicContact CB-CZ3 4.1Å; I114-W124 HydrophobicContact CD1-CH2 3.74Å; I114-W124 HydrophobicContact CD1-CZ2 3.54Å; I114-W124 HydrophobicContact CG1-CH2 4.24Å; I114-W124 HydrophobicContact CG1-CZ2 4.49Å; I114-W124 HydrophobicContact CG2-CE3 4.22Å; I114-W124 HydrophobicContact CG2-CH2 3.39Å; I114-W124 HydrophobicContact CG2-CZ2 4.03Å; I114-W124 HydrophobicContact CG2-CZ3 3.48Å; I114-W124 VanDerWaalsContact CG2-CZ3 3.48Å; M121-W124 PolarHBondContact O-N 3.37Å; G122-W124 PolarHBondContact O-N 2.03Å; G122-W124 VanDerWaalsContact O-N 3.14Å; W124-T126 PolarHBondContact O-N 3.42Å; W124-W127 HydrophobicContact CB-CB 4.14Å; W124-W127 WeakPolarHBondContact O-CB 3.34Å; W124-W127 PolarHBondContact O-N 3.03Å; W124-S128 PolarHBondContact O-N 3.3Å
125	P	96.7	Very high	97.6	Very high	101 Å²	101	74.2 Å²	74.2	66%	0.656	37%	0.37	S	S	*	.	H	α-helix	trans	-54.3	-30.4	176.5	-27.8	35.5	0	0	0	113.3	A123 S128 R129	A123-P125 WeakPolarHBondContact O-CD 3.33Å; P125-S128 PolarHBondContact O-N 3.01Å; P125-R129 WeakPolarHBondContact O-CB 3.22Å; P125-R129 PolarHBondContact O-N 3.03Å
126	T	97.4	Very high	97.5	Very high	34 Å²	34	76.9 Å²	76.9	21%	0.209	39%	0.386	C	S	.	.	H	α-helix	trans	-58.5	-43.9	173.3	-50.3	0	0	0	0	112.4	F53 E54 W124 R129 Y130	F53-T126 HydrophobicContact CB-CG2 3.35Å; F53-T126 HydrophobicContact CG-CG2 4.35Å; E54-T126 WeakPolarHBondContact OE1-CB 3.48Å; E54-T126 PolarHBondContact OE1-OG1 2.94Å; W124-T126 PolarHBondContact O-N 3.42Å; T126-R129 PolarHBondContact O-N 3.28Å; T126-Y130 HydrophobicContact CG2-CD2 3.82Å; T126-Y130 HydrophobicContact CG2-CE2 4.26Å; T126-Y130 VanDerWaalsContact O-CD2 3.29Å; T126-Y130 WeakPolarHBondContact O-CD2 3.44Å; T126-Y130 PolarHBondContact O-N 2.89Å
127	W	98.6	Very high	97.5	Very high	11 Å²	11	71.7 Å²	71.7	4%	0.042	36%	0.364	C	S	.	.	H	α-helix	trans	-66.6	-45.8	179.1	170.2	86	0	0	0	111.4	Y42 N46 L50 M121 W124 R129 Y130 C131 Q132	Y42-W127 HydrophobicContact CD1-CH2 4.36Å; Y42-W127 AromaticContact CD1-CZ2 3.86Å; Y42-W127 HydrophobicContact CD1-CZ2 3.86Å; Y42-W127 AromaticContact CE1-CH2 3.63Å; Y42-W127 HydrophobicContact CE1-CH2 3.63Å; Y42-W127 AromaticContact CE1-CZ2 3.6Å; Y42-W127 HydrophobicContact CE1-CZ2 3.6Å; N46-W127 PolarHBondContact OD1-NE1 3.26Å; L50-W127 HydrophobicContact CD1-CB 3.91Å; M121-W127 HydrophobicContact CB-CD2 3.45Å; M121-W127 VanDerWaalsContact CB-CD2 3.45Å; M121-W127 HydrophobicContact CB-CE3 3.59Å; M121-W127 HydrophobicContact CB-CG 3.96Å; M121-W127 HydrophobicContact CB-CH2 4.1Å; M121-W127 HydrophobicContact CB-CZ2 4Å; M121-W127 HydrophobicContact CB-CZ3 3.91Å; M121-W127 VanDerWaalsContact CE-CD1 3.43Å; M121-W127 HydrophobicContact CE-CG 3.98Å; M121-W127 HydrophobicContact SD-CZ2 4.47Å; W124-W127 HydrophobicContact CB-CB 4.14Å; W124-W127 WeakPolarHBondContact O-CB 3.34Å; W124-W127 PolarHBondContact O-N 3.03Å; W127-R129 PolarHBondContact O-N 3.08Å; W127-Y130 PolarHBondContact O-N 3.27Å; W127-C131 HydrophobicContact CG-CB 4Å; W127-C131 WeakPolarHBondContact O-CA 3.48Å; W127-C131 WeakPolarHBondContact O-CB 3.06Å; W127-C131 PolarHBondContact O-N 2.84Å; W127-Q132 HydrophobicContact CD2-CB 4.28Å; W127-Q132 HydrophobicContact CE3-CB 4.21Å; W127-Q132 HydrophobicContact CH2-CB 3.74Å; W127-Q132 HydrophobicContact CH2-CG 3.45Å; W127-Q132 VanDerWaalsContact CH2-CG 3.45Å; W127-Q132 HydrophobicContact CZ2-CB 3.79Å; W127-Q132 HydrophobicContact CZ2-CG 3.86Å; W127-Q132 HydrophobicContact CZ3-CB 3.95Å; W127-Q132 HydrophobicContact CZ3-CG 3.89Å; W127-Q132 PolarHBondContact O-N 3.2Å
128	S	98.1	Very high	97.5	Very high	46 Å²	46	73 Å²	73	32%	0.322	37%	0.372	S	S	.	.	H	α-helix	trans	-58.3	-37.1	175.8	-65.9	0	0	0	0	112	W124 P125	W124-S128 PolarHBondContact O-N 3.3Å; P125-S128 PolarHBondContact O-N 3.01Å
129	R	98.1	Very high	97.6	Very high	193 Å²	193	70.1 Å²	70.1	73%	0.728	36%	0.355	S	S	*	.	H	α-helix	trans	-74.3	-40.3	-179.4	-174.2	172.6	-176.6	176.8	1.9	114	P125 T126 W127	P125-R129 WeakPolarHBondContact O-CB 3.22Å; P125-R129 PolarHBondContact O-N 3.03Å; T126-R129 PolarHBondContact O-N 3.28Å; W127-R129 PolarHBondContact O-N 3.08Å
130	Y	98.3	Very high	97.6	Very high	104 Å²	104	65.3 Å²	65.3	41%	0.408	33%	0.33	S	S	.	.	H	α-helix	trans	-115.5	-20	-167	-63.2	-67.4	0	0	0	115.1	F53 T126 W127	F53-Y130 HydrophobicContact CB-CD2 4.41Å; F53-Y130 HydrophobicContact CD1-CD1 4.34Å; F53-Y130 AromaticContact CD1-CD2 3.81Å; F53-Y130 HydrophobicContact CD1-CD2 3.81Å; F53-Y130 HydrophobicContact CD1-CE2 4.25Å; F53-Y130 AromaticContact CD1-CG 3.87Å; F53-Y130 HydrophobicContact CD1-CG 3.87Å; F53-Y130 HydrophobicContact CD2-CG 4.3Å; F53-Y130 AromaticContact CE1-CD1 3.89Å; F53-Y130 HydrophobicContact CE1-CD1 3.89Å; F53-Y130 HydrophobicContact CE1-CD2 4.19Å; F53-Y130 HydrophobicContact CE1-CE1 4.35Å; F53-Y130 AromaticContact CE1-CG 3.8Å; F53-Y130 HydrophobicContact CE1-CG 3.8Å; F53-Y130 HydrophobicContact CE2-CG 4.25Å; F53-Y130 HydrophobicContact CG-CD2 4.03Å; F53-Y130 HydrophobicContact CG-CG 4.13Å; F53-Y130 HydrophobicContact CZ-CD1 4.12Å; F53-Y130 HydrophobicContact CZ-CG 4.01Å; T126-Y130 HydrophobicContact CG2-CD2 3.82Å; T126-Y130 HydrophobicContact CG2-CE2 4.26Å; T126-Y130 VanDerWaalsContact O-CD2 3.29Å; T126-Y130 WeakPolarHBondContact O-CD2 3.44Å; T126-Y130 PolarHBondContact O-N 2.89Å; W127-Y130 PolarHBondContact O-N 3.27Å
131	C	98.5	Very high	97.6	Very high	1 Å²	1	66.6 Å²	66.6	1%	0.007	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	-42.9	-167.3	-56.2	0	0	0	0	113.1	C49 W127 Y133 S134 L137	C49-C131 VanDerWaalsContact C-SG 3.53Å; C49-C131 HydrophobicContact CB-CB 3.8Å; C49-C131 WeakPolarHBondContact CB-SG 3.34Å; C49-C131 VanDerWaalsContact SG-CA 3.54Å; C49-C131 WeakPolarHBondContact SG-CB 3.49Å; C49-C131 CovalentContact SG-SG 2.04Å; C49-C131 PolarHBondContact SG-SG 2.66Å; W127-C131 HydrophobicContact CG-CB 4Å; W127-C131 WeakPolarHBondContact O-CA 3.48Å; W127-C131 WeakPolarHBondContact O-CB 3.06Å; W127-C131 PolarHBondContact O-N 2.84Å; C131-Y133 VanDerWaalsContact C-N 3.26Å; C131-Y133 PolarHBondContact O-N 3.36Å; C131-Y133 VanDerWaalsContact O-N 3.07Å; C131-S134 WeakPolarHBondContact O-CB 3.38Å; C131-S134 PolarHBondContact O-N 2.56Å; C131-S134 VanDerWaalsContact O-N 3.09Å; C131-L137 HydrophobicContact CB-CD1 4.37Å
132	Q	97.8	Very high	97.6	Very high	71 Å²	71	70.8 Å²	70.8	33%	0.332	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-38	-168.9	-178.2	173.6	17.2	0	0	114.8	W127	W127-Q132 HydrophobicContact CD2-CB 4.28Å; W127-Q132 HydrophobicContact CE3-CB 4.21Å; W127-Q132 HydrophobicContact CH2-CB 3.74Å; W127-Q132 HydrophobicContact CH2-CG 3.45Å; W127-Q132 VanDerWaalsContact CH2-CG 3.45Å; W127-Q132 HydrophobicContact CZ2-CB 3.79Å; W127-Q132 HydrophobicContact CZ2-CG 3.86Å; W127-Q132 HydrophobicContact CZ3-CB 3.95Å; W127-Q132 HydrophobicContact CZ3-CG 3.89Å; W127-Q132 PolarHBondContact O-N 3.2Å
133	Y	96.3	Very high	97.6	Very high	192 Å²	192	73.6 Å²	73.6	75%	0.753	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.4	24.6	-178.8	-54.2	-62.4	0	0	0	112.5	C131 D135	C131-Y133 VanDerWaalsContact C-N 3.26Å; C131-Y133 PolarHBondContact O-N 3.36Å; C131-Y133 VanDerWaalsContact O-N 3.07Å; Y133-D135 PolarHBondContact O-N 3.27Å
134	S	96.8	Very high	97.7	Very high	34 Å²	34	73.3 Å²	73.3	24%	0.238	38%	0.383	C	S	.	.			trans	-69.2	125.2	177.8	177.6	0	0	0	0	110.7	C131 T136 L137	C131-S134 WeakPolarHBondContact O-CB 3.38Å; C131-S134 PolarHBondContact O-N 2.56Å; C131-S134 VanDerWaalsContact O-N 3.09Å; S134-T136 PolarHBondContact O-N 3.47Å; S134-T136 PolarHBondContact OG-N 2.81Å; S134-T136 PolarHBondContact OG-OG1 2.81Å; S134-T136 VanDerWaalsContact OG-OG1 3.13Å; S134-L137 PolarHBondContact OG-N 2.97Å
135	D	96.4	Very high	97.6	Very high	152 Å²	152	81.7 Å²	81.7	81%	0.813	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-12.2	172	63.8	-16.2	0	0	0	113.5	Y133	Y133-D135 PolarHBondContact O-N 3.27Å
136	T	96.2	Very high	97.5	Very high	60 Å²	60	80.8 Å²	80.8	37%	0.368	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	13.9	-172.4	36.5	0	0	0	0	112.1	S134 A138 R139	S134-T136 PolarHBondContact O-N 3.47Å; S134-T136 PolarHBondContact OG-N 2.81Å; S134-T136 PolarHBondContact OG-OG1 2.81Å; S134-T136 VanDerWaalsContact OG-OG1 3.13Å; T136-A138 VanDerWaalsContact C-N 3.3Å; T136-A138 PolarHBondContact O-N 3.1Å; T136-R139 VanDerWaalsContact O-CB 3.29Å; T136-R139 WeakPolarHBondContact O-CB 3.12Å; T136-R139 WeakPolarHBondContact O-CG 3.44Å; T136-R139 PolarHBondContact O-N 2.92Å; T136-R139 VanDerWaalsContact O-N 3.07Å
137	L	97	Very high	97.5	Very high	27 Å²	27	83.2 Å²	83.2	14%	0.141	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-59.1	-39.3	-174.4	-160.6	73.8	0	0	0	112.4	E45 N46 C49 C131 S134 R139 W140	E45-L137 HydrophobicContact CB-CD1 4.35Å; E45-L137 HydrophobicContact CB-CD2 3.95Å; E45-L137 HydrophobicContact CB-CG 3.59Å; E45-L137 WeakPolarHBondContact CB-O 3.49Å; E45-L137 VanDerWaalsContact CG-O 3.32Å; E45-L137 WeakPolarHBondContact CG-O 3.31Å; N46-L137 WeakPolarHBondContact ND2-CD2 3.38Å; C49-L137 HydrophobicContact CB-CD1 3.85Å; C131-L137 HydrophobicContact CB-CD1 4.37Å; S134-L137 PolarHBondContact OG-N 2.97Å; L137-R139 PolarHBondContact O-N 3.17Å; L137-W140 WeakPolarHBondContact O-CB 3.12Å; L137-W140 PolarHBondContact O-N 3.46Å
138	A	97.6	Very high	97.5	Very high	65 Å²	65	86.9 Å²	86.9	54%	0.537	44%	0.439	S	S	.	.	G	3₁₀ helix	trans	-52.1	-31.7	176.8	0	0	0	0	0	113.5	T136 W140 L141	T136-A138 VanDerWaalsContact C-N 3.3Å; T136-A138 PolarHBondContact O-N 3.1Å; A138-W140 PolarHBondContact O-N 3.48Å; A138-W140 VanDerWaalsContact O-N 3.09Å; A138-L141 PolarHBondContact O-N 3.05Å; A138-L141 VanDerWaalsContact O-N 3.1Å
139	R	97.8	Very high	97.4	Very high	165 Å²	165	89.2 Å²	89.2	62%	0.623	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-63.8	-19.6	-177.8	-59.4	179.6	65.3	175.8	-0.9	113.3	T136 L137 L141 D142	T136-R139 VanDerWaalsContact O-CB 3.29Å; T136-R139 WeakPolarHBondContact O-CB 3.12Å; T136-R139 WeakPolarHBondContact O-CG 3.44Å; T136-R139 PolarHBondContact O-N 2.92Å; T136-R139 VanDerWaalsContact O-N 3.07Å; L137-R139 PolarHBondContact O-N 3.17Å; R139-L141 PolarHBondContact O-N 3.44Å; R139-D142 WeakPolarHBondContact CA-OD2 3.37Å; R139-D142 PolarHBondContact O-N 2.94Å
140	W	98.4	Very high	97.4	Very high	43 Å²	43	83.1 Å²	83.1	16%	0.163	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-62.9	-19.1	176.1	-72.8	114.3	0	0	0	113.2	R24 E45 V48 C49 Y52 F53 F57 L137 A138	R24-W140 WeakPolarHBondContact CD-O 3.35Å; R24-W140 HydrophobicContact CG-CE3 4.38Å; R24-W140 VanDerWaalsContact NH1-C 3.28Å; R24-W140 PolarHBondContact NH1-O 3.47Å; E45-W140 HydrophobicContact CB-CB 4.16Å; E45-W140 HydrophobicContact CG-CB 4.42Å; V48-W140 HydrophobicContact CB-CB 4.08Å; V48-W140 HydrophobicContact CG1-CB 3.93Å; V48-W140 HydrophobicContact CG1-CD2 4.23Å; V48-W140 HydrophobicContact CG1-CE3 3.82Å; V48-W140 HydrophobicContact CG1-CG 4.3Å; C49-W140 HydrophobicContact CB-CD2 4.38Å; C49-W140 HydrophobicContact CB-CG 4.32Å; C49-W140 HydrophobicContact CB-CZ2 4.4Å; C49-W140 VanDerWaalsContact CB-NE1 3.32Å; Y52-W140 AromaticContact CD1-CH2 3.41Å; Y52-W140 HydrophobicContact CD1-CH2 3.41Å; Y52-W140 VanDerWaalsContact CD1-CH2 3.41Å; Y52-W140 HydrophobicContact CD1-CZ2 4.14Å; Y52-W140 HydrophobicContact CD1-CZ3 4.28Å; Y52-W140 HydrophobicContact CD2-CH2 4.12Å; Y52-W140 HydrophobicContact CD2-CZ3 4.22Å; Y52-W140 HydrophobicContact CE1-CH2 4.07Å; Y52-W140 AromaticContact CG-CH2 3.41Å; Y52-W140 HydrophobicContact CG-CH2 3.41Å; Y52-W140 VanDerWaalsContact CG-CH2 3.41Å; Y52-W140 HydrophobicContact CG-CZ2 4.4Å; Y52-W140 AromaticContact CG-CZ3 3.83Å; Y52-W140 HydrophobicContact CG-CZ3 3.83Å; F53-W140 HydrophobicContact CE2-CZ2 4.14Å; F57-W140 HydrophobicContact CE2-CZ3 4.39Å; F57-W140 HydrophobicContact CZ-CE3 4.23Å; F57-W140 AromaticContact CZ-CZ3 3.91Å; F57-W140 HydrophobicContact CZ-CZ3 3.91Å; L137-W140 WeakPolarHBondContact O-CB 3.12Å; L137-W140 PolarHBondContact O-N 3.46Å; A138-W140 PolarHBondContact O-N 3.48Å; A138-W140 VanDerWaalsContact O-N 3.09Å
141	L	98.7	Very high	97.3	Very high	32 Å²	32	81.8 Å²	81.8	17%	0.168	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-111.9	1.2	177.4	-62.3	179.9	0	0	0	114.5	A28 L44 E45 V48 A138 R139 G143 C144 L146	A28-L141 HydrophobicContact CB-CD2 3.45Å; A28-L141 VanDerWaalsContact CB-CD2 3.45Å; L44-L141 HydrophobicContact CB-CD1 4.21Å; L44-L141 HydrophobicContact CD2-CD1 3.98Å; L44-L141 HydrophobicContact CD2-CD2 3.86Å; L44-L141 HydrophobicContact CG-CD1 4.34Å; L44-L141 HydrophobicContact CG-CD2 4.23Å; E45-L141 HydrophobicContact CG-CD1 3.8Å; E45-L141 HydrophobicContact CG-CG 3.88Å; E45-L141 VanDerWaalsContact OE1-CD1 3.29Å; E45-L141 WeakPolarHBondContact OE1-CD1 3.26Å; V48-L141 HydrophobicContact CG2-CD2 4.28Å; A138-L141 PolarHBondContact O-N 3.05Å; A138-L141 VanDerWaalsContact O-N 3.1Å; R139-L141 PolarHBondContact O-N 3.44Å; L141-G143 PolarHBondContact O-N 2.86Å; L141-C144 WeakPolarHBondContact O-CB 3.24Å; L141-C144 PolarHBondContact O-N 3.44Å; L141-L146 HydrophobicContact CD1-CD1 4.32Å; L141-L146 HydrophobicContact CD2-CD1 4.49Å; L141-L146 HydrophobicContact CD2-CD2 4.49Å
142	D	98.2	Very high	97.2	Very high	89 Å²	89	87.2 Å²	87.2	48%	0.476	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	124.7	178.2	-75.4	-11.8	0	0	0	111.2	R24 R139 C144	R24-D142 PolarHBondContact NH1-O 3.12Å; R24-D142 PolarHBondContact NH2-O 3.14Å; R139-D142 WeakPolarHBondContact CA-OD2 3.37Å; R139-D142 PolarHBondContact O-N 2.94Å; D142-C144 PolarHBondContact O-N 3.38Å
143	G	98.2	Very high	97.2	Very high	82 Å²	82	88.4 Å²	88.4	85%	0.845	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	5.2	178.5	0	0	0	0	0	115.8	L141	L141-G143 PolarHBondContact O-N 2.86Å
144	C	98.4	Very high	97.3	Very high	24 Å²	24	80.4 Å²	80.4	16%	0.162	45%	0.445	C	S	.	.			trans	-80.1	140	174.3	-60.6	0	0	0	0	111.5	R24 C25 L141 D142 L146	R24-C144 PolarHBondContact NH1-SG 2.98Å; C25-C144 WeakPolarHBondContact CA-SG 3.09Å; C25-C144 HydrophobicContact CB-CB 3.69Å; C25-C144 WeakPolarHBondContact CB-SG 3.28Å; C25-C144 WeakPolarHBondContact SG-CA 3.42Å; C25-C144 WeakPolarHBondContact SG-CB 3.25Å; C25-C144 CovalentContact SG-SG 2.05Å; C25-C144 PolarHBondContact SG-SG 2.86Å; L141-C144 WeakPolarHBondContact O-CB 3.24Å; L141-C144 PolarHBondContact O-N 3.44Å; D142-C144 PolarHBondContact O-N 3.38Å; C144-L146 HydrophobicContact CB-CD2 4.39Å
145	K	96.8	Very high	97.3	Very high	189 Å²	189	84.3 Å²	84.3	82%	0.822	46%	0.463	S	S	*	.			trans	-104	110.6	167.5	-62.2	-177.7	-178.2	-178.1	0	107.6
146	L	93.9	Very high	97.4	Very high	83 Å²	83	78.1 Å²	78.1	44%	0.435	43%	0.431	S	S	.	.			trans	-88.1	0	178.5	-56.2	179.1	0	0	0	109.7	A28 K29 H32 L44 L141 C144	A28-L146 HydrophobicContact CB-CD2 3.84Å; K29-L146 HydrophobicContact CB-CD2 4.34Å; K29-L146 PolarHBondContact NZ-OXT 3.07Å; H32-L146 HydrophobicContact CB-CD2 4.42Å; L44-L146 HydrophobicContact CD2-CD1 3.43Å; L44-L146 VanDerWaalsContact CD2-CD1 3.43Å; L44-L146 HydrophobicContact CD2-CD2 4.06Å; L44-L146 HydrophobicContact CD2-CG 4.4Å; L141-L146 HydrophobicContact CD1-CD1 4.32Å; L141-L146 HydrophobicContact CD2-CD1 4.49Å; L141-L146 HydrophobicContact CD2-CD2 4.49Å; C144-L146 HydrophobicContact CB-CD2 4.39Å

Retrieved 146 of 146 residues in 46.3 ms (Link to these results)

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