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Oxytocin, prepro-(Neurophysin I)

Carrier protein that binds to and transports oxytocin from the hypothalamus to the posterior pituitary gland, protecting it from degradation and facilitating its release. Precursor of oxytocin, a neurohypophyseal hormone that plays a key role in social interactions and neurophysin 1, its carrier protein.

AlphaFold DB (P01178), UniProt , Accession X5D7M6, Species HUMAN (Homo sapiens, Human), Gene OXT, Length 125 aa.

						>X5D7M6_HUMAN|X5D7M6|OXT
MAGPSLACCLLGLLALTSACYIQNCPLGGKRAAPDLDVRKCLPCGPGGKGRCFGPNICCAEELGCFVGTAEALRCQEENYLPSPCQSGQKACGSGGRCAVLGLCCSPDGCHADPACDAEATFSQR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	53.8	Low	77.3	Confident	232 Å²	232	97.6 Å²	97.6	100%	1.143	61%	0.608	S	S	*	*				0	58	0	-64.6	145.1	78.4	0	0	110.4
2	A	64.2	Low	77.8	Confident	68 Å²	68	91.9 Å²	91.9	56%	0.562	58%	0.582	S	S	*	*			trans	-102.2	-4.1	-174.9	0	0	0	0	0	114.3	L6	A2-L6 PolarHBondContact O-N 3.13Å
3	G	73.1	Confident	78.1	Confident	53 Å²	53	93.2 Å²	93.2	55%	0.546	58%	0.581	S	S	.	*	H	α-helix	trans	-59.7	-49.6	-177.4	0	0	0	0	0	115.6	S5 L6 A7	G3-S5 PolarHBondContact O-N 3.11Å; G3-L6 PolarHBondContact O-N 2.72Å; G3-A7 PolarHBondContact O-N 3.46Å
4	P	76.3	Confident	78.4	Confident	90 Å²	90	94.5 Å²	94.5	58%	0.584	58%	0.581	S	S	*	*	H	α-helix	trans	-69.7	-34.1	-174.9	24.5	-31.2	0	0	0	112.6	A7 C8	P4-A7 PolarHBondContact O-N 3.39Å; P4-C8 PolarHBondContact O-N 3.13Å; P4-C8 PolarHBondContact O-SG 2.85Å
5	S	77.7	Confident	78.5	Confident	78 Å²	78	92.1 Å²	92.1	55%	0.545	58%	0.575	S	S	.	*	H	α-helix	trans	-65	-42.6	178.5	-50.7	0	0	0	0	112.2	G3 C8 C9	G3-S5 PolarHBondContact O-N 3.11Å; S5-C8 PolarHBondContact O-N 3.01Å; S5-C9 PolarHBondContact O-N 3.46Å; S5-C9 PolarHBondContact O-SG 3.43Å; S5-C9 VanDerWaalsContact O-SG 3.33Å
6	L	82.3	Confident	78.3	Confident	111 Å²	111	94.1 Å²	94.1	58%	0.581	58%	0.579	S	S	*	*	H	α-helix	trans	-64.1	-42.2	176.7	-108.3	154	0	0	0	112.1	A2 G3 C9 L10	A2-L6 PolarHBondContact O-N 3.13Å; G3-L6 PolarHBondContact O-N 2.72Å; L6-C9 PolarHBondContact O-N 3.15Å; L6-L10 WeakPolarHBondContact O-CG 3.34Å; L6-L10 PolarHBondContact O-N 2.89Å
7	A	82.7	Confident	77.9	Confident	50 Å²	50	94.1 Å²	94.1	41%	0.413	58%	0.579	S	S	.	*	H	α-helix	trans	-63.1	-43.4	176.7	0	0	0	0	0	111.9	G3 P4 C9 L10 L11	G3-A7 PolarHBondContact O-N 3.46Å; P4-A7 PolarHBondContact O-N 3.39Å; A7-C9 PolarHBondContact O-N 3.11Å; A7-L10 PolarHBondContact O-N 3.15Å; A7-L11 WeakPolarHBondContact O-CG 3.21Å; A7-L11 PolarHBondContact O-N 3.14Å
8	C	83.9	Confident	77.2	Confident	89 Å²	89	93.5 Å²	93.5	60%	0.601	58%	0.58	S	S	*	*	H	α-helix	trans	-61.9	-41.5	174.8	-75.1	0	0	0	0	112.4	P4 S5 L11 G12	P4-C8 PolarHBondContact O-N 3.13Å; P4-C8 PolarHBondContact O-SG 2.85Å; S5-C8 PolarHBondContact O-N 3.01Å; C8-L11 PolarHBondContact O-N 3Å; C8-G12 PolarHBondContact O-N 3.27Å
9	C	85.5	Confident	76.5	Confident	82 Å²	82	92.5 Å²	92.5	55%	0.554	58%	0.582	S	S	*	*	H	α-helix	trans	-63.3	-43.7	176.9	-71.6	0	0	0	0	112.4	S5 L6 A7 G12 L13	S5-C9 PolarHBondContact O-N 3.46Å; S5-C9 PolarHBondContact O-SG 3.43Å; S5-C9 VanDerWaalsContact O-SG 3.33Å; L6-C9 PolarHBondContact O-N 3.15Å; A7-C9 PolarHBondContact O-N 3.11Å; C9-G12 PolarHBondContact O-N 3.09Å; C9-L13 WeakPolarHBondContact O-CG 3.03Å; C9-L13 PolarHBondContact O-N 2.04Å
10	L	85.4	Confident	76.1	Confident	101 Å²	101	93.4 Å²	93.4	53%	0.529	59%	0.59	S	S	.	*	H	α-helix	trans	-63.7	-43.4	177.8	-71.1	170.3	0	0	0	111.8	L6 A7 G12 L13 L14	L6-L10 WeakPolarHBondContact O-CG 3.34Å; L6-L10 PolarHBondContact O-N 2.89Å; A7-L10 PolarHBondContact O-N 3.15Å; L10-G12 VanDerWaalsContact C-N 3.34Å; L10-G12 PolarHBondContact O-N 3.26Å; L10-L13 PolarHBondContact O-N 3.46Å; L10-L14 WeakPolarHBondContact O-CB 3.45Å; L10-L14 WeakPolarHBondContact O-CD1 3.16Å; L10-L14 PolarHBondContact O-N 2.02Å
11	L	85.4	Confident	75.6	Confident	120 Å²	120	96.8 Å²	96.8	63%	0.628	59%	0.592	S	S	*	*	H	α-helix	trans	-62.3	-40	175.7	-75.9	163.7	0	0	0	112.2	A7 C8 L14 A15	A7-L11 WeakPolarHBondContact O-CG 3.21Å; A7-L11 PolarHBondContact O-N 3.14Å; C8-L11 PolarHBondContact O-N 3Å; L11-L14 PolarHBondContact O-N 2.85Å; L11-A15 PolarHBondContact O-N 3.05Å
12	G	82.9	Confident	76.1	Confident	29 Å²	29	91.5 Å²	91.5	30%	0.299	57%	0.567	S	S	.	*	H	α-helix	trans	-61	-49.9	174.2	0	0	0	0	0	112	C8 C9 L10 L14 A15 L16	C8-G12 PolarHBondContact O-N 3.27Å; C9-G12 PolarHBondContact O-N 3.09Å; L10-G12 VanDerWaalsContact C-N 3.34Å; L10-G12 PolarHBondContact O-N 3.26Å; G12-L14 VanDerWaalsContact C-N 3.34Å; G12-L14 PolarHBondContact O-N 3.38Å; G12-A15 PolarHBondContact O-N 3Å; G12-L16 VanDerWaalsContact O-CD1 3.29Å; G12-L16 WeakPolarHBondContact O-CD1 3.45Å; G12-L16 PolarHBondContact O-N 2.88Å
13	L	82.5	Confident	76.1	Confident	109 Å²	109	94.9 Å²	94.9	57%	0.571	57%	0.572	S	S	*	*	H	α-helix	trans	-60.1	-42.6	177.9	-71.2	167.1	0	0	0	112	C9 L10 A15 L16 T17	C9-L13 WeakPolarHBondContact O-CG 3.03Å; C9-L13 PolarHBondContact O-N 2.04Å; L10-L13 PolarHBondContact O-N 3.46Å; L13-A15 PolarHBondContact O-N 3.03Å; L13-L16 PolarHBondContact O-N 2.96Å; L13-T17 VanDerWaalsContact O-CG2 3.32Å; L13-T17 WeakPolarHBondContact O-CG2 3.33Å; L13-T17 PolarHBondContact O-N 3.43Å; L13-T17 PolarHBondContact O-OG1 2.9Å
14	L	82.4	Confident	75.6	Confident	111 Å²	111	99.4 Å²	99.4	58%	0.581	58%	0.583	S	S	*	*	H	α-helix	trans	-59.4	-45.9	175.3	-89.2	149	0	0	0	112.1	L10 L11 G12 T17 S18	L10-L14 WeakPolarHBondContact O-CB 3.45Å; L10-L14 WeakPolarHBondContact O-CD1 3.16Å; L10-L14 PolarHBondContact O-N 2.02Å; L11-L14 PolarHBondContact O-N 2.85Å; G12-L14 VanDerWaalsContact C-N 3.34Å; G12-L14 PolarHBondContact O-N 3.38Å; L14-T17 WeakPolarHBondContact CA-OG1 3.5Å; L14-T17 PolarHBondContact O-N 3.12Å; L14-T17 PolarHBondContact O-OG1 3.36Å; L14-S18 PolarHBondContact O-N 2.87Å; L14-S18 PolarHBondContact O-OG 3.36Å
15	A	79.4	Confident	75.1	Confident	58 Å²	58	99.5 Å²	99.5	48%	0.479	59%	0.585	S	S	.	*	H	α-helix	trans	-65.1	-37.7	177.2	0	0	0	0	0	112.8	L11 G12 L13 S18 A19	L11-A15 PolarHBondContact O-N 3.05Å; G12-A15 PolarHBondContact O-N 3Å; L13-A15 PolarHBondContact O-N 3.03Å; A15-S18 PolarHBondContact O-OG 3.13Å; A15-S18 VanDerWaalsContact O-OG 3.08Å; A15-A19 WeakPolarHBondContact O-CB 3.3Å; A15-A19 PolarHBondContact O-N 2.03Å; A15-A19 VanDerWaalsContact O-N 3.15Å
16	L	74.9	Confident	74.4	Confident	124 Å²	124	101.3 Å²	101.3	65%	0.649	60%	0.595	S	S	*	*	H	α-helix	trans	-67.1	-38.2	174.4	-85.9	136.9	0	0	0	111.8	G12 L13	G12-L16 VanDerWaalsContact O-CD1 3.29Å; G12-L16 WeakPolarHBondContact O-CD1 3.45Å; G12-L16 PolarHBondContact O-N 2.88Å; L13-L16 PolarHBondContact O-N 2.96Å
17	T	72.3	Confident	73.5	Confident	94 Å²	94	103.5 Å²	103.5	58%	0.577	61%	0.607	S	S	*	*	H	α-helix	trans	-72.4	-33.3	176.8	57.9	0	0	0	0	113.2	L13 L14	L13-T17 VanDerWaalsContact O-CG2 3.32Å; L13-T17 WeakPolarHBondContact O-CG2 3.33Å; L13-T17 PolarHBondContact O-N 3.43Å; L13-T17 PolarHBondContact O-OG1 2.9Å; L14-T17 WeakPolarHBondContact CA-OG1 3.5Å; L14-T17 PolarHBondContact O-N 3.12Å; L14-T17 PolarHBondContact O-OG1 3.36Å
18	S	65.3	Low	72.2	Confident	84 Å²	84	104.1 Å²	104.1	59%	0.587	62%	0.618	S	S	*	*	H	α-helix	trans	-74.7	-31.4	177.8	65.3	0	0	0	0	112.7	L14 A15 C20 Y21	L14-S18 PolarHBondContact O-N 2.87Å; L14-S18 PolarHBondContact O-OG 3.36Å; A15-S18 PolarHBondContact O-OG 3.13Å; A15-S18 VanDerWaalsContact O-OG 3.08Å; S18-C20 PolarHBondContact O-N 2.99Å; S18-Y21 PolarHBondContact O-N 2.81Å
19	A	64.2	Low	71.1	Confident	75 Å²	75	102.4 Å²	102.4	62%	0.62	62%	0.615	S	S	*	*	H	α-helix	trans	-67.9	-17.8	176	0	0	0	0	0	113.8	A15	A15-A19 WeakPolarHBondContact O-CB 3.3Å; A15-A19 PolarHBondContact O-N 2.03Å; A15-A19 VanDerWaalsContact O-N 3.15Å
20	C	67.4	Low	69.8	Low	110 Å²	110	109.2 Å²	109.2	74%	0.743	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-1.1	179.6	-64.9	0	0	0	0	114.2	S18 I22	S18-C20 PolarHBondContact O-N 2.99Å; C20-I22 PolarHBondContact O-N 2.82Å
21	Y	65.2	Low	68.6	Low	164 Å²	164	116 Å²	116	64%	0.643	65%	0.654	S	S	*	*			trans	-102.4	65.7	-176.2	-158.6	-113.2	0	0	0	112.1	S18 Q23	S18-Y21 PolarHBondContact O-N 2.81Å; Y21-Q23 HydrophobicContact CD1-CG 3.7Å; Y21-Q23 HydrophobicContact CE1-CG 3.3Å; Y21-Q23 HydrophobicContact CG-CG 4.49Å; Y21-Q23 VanDerWaalsContact CZ-NE2 3.26Å; Y21-Q23 PolarHBondContact O-N 2.88Å; Y21-Q23 PolarHBondContact OH-NE2 3.01Å
22	I	64.4	Low	67.1	Low	121 Å²	121	113 Å²	113	62%	0.621	65%	0.646	S	S	*	*			trans	-79.1	101.1	170.9	-58.1	174.2	0	0	0	108	C20 N24	C20-I22 PolarHBondContact O-N 2.82Å; I22-N24 VanDerWaalsContact C-N 3.33Å
23	Q	64.2	Low	65.9	Low	140 Å²	140	115 Å²	115	65%	0.654	66%	0.659	S	S	*	*			trans	-81.8	-11.5	173.1	-68.6	-170.1	-40.2	0	0	113.6	Y21	Y21-Q23 HydrophobicContact CD1-CG 3.7Å; Y21-Q23 HydrophobicContact CE1-CG 3.3Å; Y21-Q23 HydrophobicContact CG-CG 4.49Å; Y21-Q23 VanDerWaalsContact CZ-NE2 3.26Å; Y21-Q23 PolarHBondContact O-N 2.88Å; Y21-Q23 PolarHBondContact OH-NE2 3.01Å
24	N	64	Low	64.6	Low	148 Å²	148	114.8 Å²	114.8	79%	0.791	67%	0.665	S	S	*	*			trans	-107.9	48.7	-178.4	-71.2	-59.8	0	0	0	111.9	I22 P26	I22-N24 VanDerWaalsContact C-N 3.33Å; N24-P26 WeakPolarHBondContact O-CD 3.37Å
25	C	65	Low	63.4	Low	92 Å²	92	117.2 Å²	117.2	62%	0.622	68%	0.678	S	S	*	*			trans	-72.3	122.9	169.6	-77	0	0	0	0	108.8
26	P	62.7	Low	62.4	Low	116 Å²	116	120.3 Å²	120.3	75%	0.753	69%	0.686	S	S	*	*			trans	-58.3	144.5	171	25.8	-33	0	0	0	109.3	N24 G28	N24-P26 WeakPolarHBondContact O-CD 3.37Å; P26-G28 PolarHBondContact O-N 2.88Å
27	L	65	Low	62.1	Low	157 Å²	157	122.2 Å²	122.2	82%	0.822	70%	0.697	S	S	*	*	S	Bend	trans	-62.5	98.5	176.9	-158.3	75.6	0	0	0	108.5
28	G	54.5	Low	62.7	Low	63 Å²	63	120.3 Å²	120.3	65%	0.649	69%	0.685	S	S	*	*			trans	166	38.3	-174	0	0	0	0	0	118.8	P26	P26-G28 PolarHBondContact O-N 2.88Å
29	G	61.5	Low	64	Low	52 Å²	52	119.3 Å²	119.3	54%	0.536	67%	0.668	S	S	.	*			trans	-83.5	163.7	169.8	0	0	0	0	0	112.9	R31 A32	G29-R31 PolarHBondContact O-N 2.8Å; G29-A32 WeakPolarHBondContact O-CB 3.07Å; G29-A32 PolarHBondContact O-N 2.83Å
30	K	57.7	Low	65.3	Low	226 Å²	226	123.2 Å²	123.2	98%	0.983	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	0.4	175.8	-58.8	-175.8	-173.1	-174.5	0	115.6
31	R	59.2	Low	66.7	Low	244 Å²	244	118.4 Å²	118.4	92%	0.921	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.8	8	-178.4	-59.9	178.4	179.5	-113.8	1	112.1	G29 A33	G29-R31 PolarHBondContact O-N 2.8Å; R31-A33 PolarHBondContact O-N 3.09Å
32	A	54.7	Low	68.2	Low	56 Å²	56	112.1 Å²	112.1	46%	0.463	62%	0.616	S	S	.	*	S	Bend	trans	-79	110.9	-179.6	0	0	0	0	0	109.3	G29	G29-A32 WeakPolarHBondContact O-CB 3.07Å; G29-A32 PolarHBondContact O-N 2.83Å
33	A	58.2	Low	69.8	Low	70 Å²	70	108 Å²	108	58%	0.579	60%	0.598	S	S	*	*			trans	74.1	109.9	178.3	0	0	0	0	0	115.7	R31 L36	R31-A33 PolarHBondContact O-N 3.09Å; A33-L36 HydrophobicContact CB-CD1 4.29Å
34	P	55.1	Low	71.4	Confident	105 Å²	105	101.5 Å²	101.5	68%	0.682	57%	0.567	S	S	*	*	S	Bend	trans	-58.2	155.4	147.8	30.8	-31.7	0	0	0	107.5	L36	P34-L36 WeakPolarHBondContact O-CG 3.36Å; P34-L36 PolarHBondContact O-N 3.05Å
35	D	56.1	Low	72.9	Confident	163 Å²	163	95.5 Å²	95.5	87%	0.872	54%	0.54	S	S	*	.	S	Bend	trans	-48.1	71.1	-179.5	-153.8	5.7	0	0	0	112.9	D37	D35-D37 PolarHBondContact O-N 3.49Å
36	L	59.1	Low	74.2	Confident	122 Å²	122	94.3 Å²	94.3	64%	0.639	53%	0.531	S	S	*	.			trans	-79.1	117.3	176.1	-84.4	159.5	0	0	0	104.1	A33 P34 V38	A33-L36 HydrophobicContact CB-CD1 4.29Å; P34-L36 WeakPolarHBondContact O-CG 3.36Å; P34-L36 PolarHBondContact O-N 3.05Å; L36-V38 WeakPolarHBondContact O-CA 3Å; L36-V38 WeakPolarHBondContact O-CG2 3.26Å; L36-V38 PolarHBondContact O-N 3.11Å
37	D	69.4	Low	75.7	Confident	164 Å²	164	92.8 Å²	92.8	88%	0.877	54%	0.537	S	S	*	.			trans	-24.6	92.7	175	-166.9	13	0	0	0	111.7	D35 R39	D35-D37 PolarHBondContact O-N 3.49Å; D37-R39 PolarHBondContact O-N 3.45Å; D37-R39 VanDerWaalsContact O-N 3.11Å
38	V	83.4	Confident	77.1	Confident	54 Å²	54	86.6 Å²	86.6	33%	0.327	51%	0.511	S	S	.	.			trans	-70	115.5	-170.9	179.5	0	0	0	0	106.3	L36 Q86	L36-V38 WeakPolarHBondContact O-CA 3Å; L36-V38 WeakPolarHBondContact O-CG2 3.26Å; L36-V38 PolarHBondContact O-N 3.11Å; V38-Q86 HydrophobicContact CG1-CB 3.72Å
39	R	92.4	Very high	79	Confident	64 Å²	64	90.1 Å²	90.1	24%	0.242	51%	0.509	C	S	.	.	B	Isolated β-bridge	trans	-57.5	148.7	-176.7	63.9	172.7	178.6	87.2	4.5	110.6	D37 C41 E78 L81 S83 P84 C85 Q86	D37-R39 PolarHBondContact O-N 3.45Å; D37-R39 VanDerWaalsContact O-N 3.11Å; R39-C41 PolarHBondContact O-N 2.04Å; R39-E78 IonicContact CZ-OE1 3.77Å; R39-E78 IonicContact CZ-OE2 3.27Å; R39-E78 VanDerWaalsContact CZ-OE2 3.27Å; R39-E78 VanDerWaalsContact NH1-CD 3.34Å; R39-E78 IonicContact NH1-OE1 2.79Å; R39-E78 PolarHBondContact NH1-OE1 3.2Å; R39-E78 IonicContact NH1-OE2 3.06Å; R39-E78 PolarHBondContact NH1-OE2 3.49Å; R39-E78 IonicContact NH2-OE1 3.87Å; R39-E78 IonicContact NH2-OE2 2.64Å; R39-E78 PolarHBondContact NH2-OE2 3.11Å; R39-L81 VanDerWaalsContact NH2-CB 3.32Å; R39-S83 PolarHBondContact NE-O 2.8Å; R39-S83 PolarHBondContact NE-OG 2.64Å; R39-S83 PolarHBondContact NH2-O 3.4Å; R39-P84 WeakPolarHBondContact CG-O 3Å; R39-C85 HydrophobicContact CG-CB 3.87Å; R39-C85 CarbonylContact O-C 3.57Å; R39-C85 WeakPolarHBondContact O-CA 3.03Å; R39-C85 WeakPolarHBondContact O-CB 2.9Å; R39-Q86 PolarHBondContact O-N 3.17Å
40	K	92.8	Very high	80.6	Confident	157 Å²	157	87.7 Å²	87.7	68%	0.683	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-63.3	139.2	165.4	-65.4	-176	-179.7	-178.7	0	109.1	Q86	K40-Q86 WeakPolarHBondContact CA-O 3.46Å
41	C	96.3	Very high	82.5	Confident	9 Å²	9	81.6 Å²	81.6	6%	0.061	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-63.6	164.6	175.6	-55.5	0	0	0	0	111.5	R39 R51 C52 E78 C85 Q86 S87	R39-C41 PolarHBondContact O-N 2.04Å; C41-R51 VanDerWaalsContact O-CD 3.28Å; C41-R51 WeakPolarHBondContact O-CD 3.06Å; C41-R51 PolarHBondContact O-NH1 3.42Å; C41-C52 HydrophobicContact CB-CB 4.04Å; C41-C52 WeakPolarHBondContact CB-O 3.03Å; C41-E78 WeakPolarHBondContact CA-OE1 3.41Å; C41-E78 VanDerWaalsContact CB-OE1 3.31Å; C41-E78 WeakPolarHBondContact CB-OE1 3.4Å; C41-C85 VanDerWaalsContact CA-SG 3.56Å; C41-C85 HydrophobicContact CB-CB 3.87Å; C41-C85 WeakPolarHBondContact CB-SG 3.45Å; C41-C85 WeakPolarHBondContact SG-CB 2.94Å; C41-C85 CovalentContact SG-SG 2.05Å; C41-C85 PolarHBondContact SG-SG 3.06Å; C41-Q86 PolarHBondContact SG-N 3.23Å; C41-S87 WeakPolarHBondContact CB-OG 3.07Å
42	L	96.9	Very high	84.4	Confident	32 Å²	32	70 Å²	70	17%	0.168	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-52.8	143.1	-176.4	-73.5	174.2	0	0	0	111.4	C52 E77 E78 L81	L42-C52 PolarHBondContact O-N 3.21Å; L42-C52 PolarHBondContact O-SG 2.75Å; L42-E77 HydrophobicContact CD1-CB 3.61Å; L42-E78 HydrophobicContact CB-CG 4.39Å; L42-E78 HydrophobicContact CD1-CG 4.11Å; L42-E78 HydrophobicContact CG-CG 4.24Å; L42-E78 WeakPolarHBondContact CG-OE1 3.23Å; L42-E78 PolarHBondContact N-OE1 2.58Å; L42-L81 HydrophobicContact CD1-CD1 4Å; L42-L81 HydrophobicContact CD2-CD1 4.28Å; L42-L81 HydrophobicContact CG-CD1 4.08Å
43	P	97.3	Very high	86.4	Confident	35 Å²	35	68.6 Å²	68.6	23%	0.227	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	142.9	172.3	29.8	-32.6	0	0	0	110.7	G48 G50 R74	P43-G48 WeakPolarHBondContact CB-O 3.41Å; P43-G50 CarbonylContact C-O 3.42Å; P43-G50 VanDerWaalsContact CA-O 3.26Å; P43-G50 WeakPolarHBondContact CA-O 3.05Å; P43-R74 WeakPolarHBondContact O-CD 3.4Å; P43-R74 PolarHBondContact O-NH1 2.55Å
44	C	97.4	Very high	88.1	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.02	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	175.4	-177	63.9	0	0	0	0	111.8	G48 G50 R51 C58	C44-G48 CarbonylContact O-C 3.51Å; C44-G48 WeakPolarHBondContact O-CA 3.42Å; C44-G50 PolarHBondContact N-O 3.4Å; C44-G50 VanDerWaalsContact O-CA 3.3Å; C44-G50 WeakPolarHBondContact O-CA 3.23Å; C44-G50 PolarHBondContact O-N 2.97Å; C44-G50 VanDerWaalsContact SG-C 3.54Å; C44-R51 PolarHBondContact SG-N 2.97Å; C44-R51 VanDerWaalsContact SG-N 3.4Å; C44-R51 PolarHBondContact SG-O 2.87Å; C44-C58 HydrophobicContact CB-CB 3.81Å; C44-C58 WeakPolarHBondContact CB-SG 3Å; C44-C58 WeakPolarHBondContact SG-CA 3.36Å; C44-C58 WeakPolarHBondContact SG-CB 3.09Å; C44-C58 CovalentContact SG-SG 2.02Å; C44-C58 PolarHBondContact SG-SG 2.02Å
45	G	95.5	Very high	90.1	Very high	22 Å²	22	62.9 Å²	62.9	23%	0.227	35%	0.353	C	S	.	.	S	Bend	trans	69.3	-172.9	178.4	0	0	0	0	0	115.4	G47 G48 C58 E71	G45-G47 PolarHBondContact O-N 3.36Å; G45-G48 PolarHBondContact O-N 2.88Å; G45-C58 PolarHBondContact N-SG 3.35Å; G45-E71 PolarHBondContact N-O 3.42Å
46	P	93.7	Very high	92	Very high	66 Å²	66	58.5 Å²	58.5	43%	0.429	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-57.1	121.2	-175	-25.8	35.4	0	0	0	112.3	G48 K49 L63	P46-G48 PolarHBondContact O-N 2.71Å; P46-K49 PolarHBondContact O-N 3.22Å; P46-L63 HydrophobicContact CB-CD1 4.16Å; P46-L63 HydrophobicContact CG-CD1 3.93Å
47	G	93.1	Very high	93.9	Very high	84 Å²	84	52.9 Å²	52.9	87%	0.866	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	66.4	12.9	-178.1	0	0	0	0	0	115	G45 K49	G45-G47 PolarHBondContact O-N 3.36Å; G47-K49 PolarHBondContact O-N 3.43Å
48	G	94.5	Very high	95.2	Very high	28 Å²	28	45.1 Å²	45.1	29%	0.289	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	66.3	21.2	-177.3	0	0	0	0	0	113.8	P43 C44 G45 P46 G50	P43-G48 WeakPolarHBondContact CB-O 3.41Å; C44-G48 CarbonylContact O-C 3.51Å; C44-G48 WeakPolarHBondContact O-CA 3.42Å; G45-G48 PolarHBondContact O-N 2.88Å; P46-G48 PolarHBondContact O-N 2.71Å; G48-G50 VanDerWaalsContact C-N 3.31Å
49	K	94.6	Very high	95.9	Very high	136 Å²	136	42.8 Å²	42.8	59%	0.591	25%	0.245	S	C	*	.			trans	-72.7	-23.2	-179.2	-69.5	-173.6	169.6	-165.4	0	113.3	P46 G47 E62	P46-K49 PolarHBondContact O-N 3.22Å; G47-K49 PolarHBondContact O-N 3.43Å; K49-E62 IonicContact NZ-OE2 3.01Å; K49-E62 PolarHBondContact NZ-OE2 2.99Å
50	G	96.1	Very high	96	Very high	1 Å²	1	40 Å²	40	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	173.6	179.7	0	0	0	0	0	113.4	P43 C44 G48 C59	P43-G50 CarbonylContact C-O 3.42Å; P43-G50 VanDerWaalsContact CA-O 3.26Å; P43-G50 WeakPolarHBondContact CA-O 3.05Å; C44-G50 PolarHBondContact N-O 3.4Å; C44-G50 VanDerWaalsContact O-CA 3.3Å; C44-G50 WeakPolarHBondContact O-CA 3.23Å; C44-G50 PolarHBondContact O-N 2.97Å; C44-G50 VanDerWaalsContact SG-C 3.54Å; G48-G50 VanDerWaalsContact C-N 3.31Å; G50-C59 CarbonylContact C-O 3.5Å; G50-C59 WeakPolarHBondContact CA-O 3.06Å
51	R	97.1	Very high	95.8	Very high	98 Å²	98	40.5 Å²	40.5	37%	0.37	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	148.2	173.3	-64.5	-68.4	172	173.7	-3.9	110.7	C41 C44 F53 C59 S87	C41-R51 VanDerWaalsContact O-CD 3.28Å; C41-R51 WeakPolarHBondContact O-CD 3.06Å; C41-R51 PolarHBondContact O-NH1 3.42Å; C44-R51 PolarHBondContact SG-N 2.97Å; C44-R51 VanDerWaalsContact SG-N 3.4Å; C44-R51 PolarHBondContact SG-O 2.87Å; R51-F53 HydrophobicContact CB-CE2 4.39Å; R51-F53 WeakPolarHBondContact O-CD2 3.28Å; R51-C59 PolarHBondContact N-O 2.95Å; R51-C59 PolarHBondContact O-N 3.3Å; R51-S87 WeakPolarHBondContact CB-OG 3.31Å
52	C	97.6	Very high	95.4	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.014	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	131.4	177.2	-61.6	0	0	0	0	111.2	C41 L42 I57 C75 E78 S87	C41-C52 HydrophobicContact CB-CB 4.04Å; C41-C52 WeakPolarHBondContact CB-O 3.03Å; L42-C52 PolarHBondContact O-N 3.21Å; L42-C52 PolarHBondContact O-SG 2.75Å; C52-I57 WeakPolarHBondContact CA-O 3.49Å; C52-C75 WeakPolarHBondContact CA-SG 3.39Å; C52-C75 HydrophobicContact CB-CB 3.6Å; C52-C75 WeakPolarHBondContact CB-SG 3.26Å; C52-C75 WeakPolarHBondContact SG-CA 3.47Å; C52-C75 WeakPolarHBondContact SG-CB 3.29Å; C52-C75 CovalentContact SG-SG 2.04Å; C52-C75 PolarHBondContact SG-SG 2.91Å; C52-E78 HydrophobicContact CB-CG 4.35Å; C52-S87 VanDerWaalsContact O-CB 3.29Å; C52-S87 WeakPolarHBondContact O-CB 3.41Å; C52-S87 PolarHBondContact O-OG 3.09Å
53	F	96.9	Very high	95.1	Very high	26 Å²	26	49.5 Å²	49.5	11%	0.114	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-13.1	172.9	-79.3	-101.7	0	0	0	112.5	R51 I57 C59 S87 R97 A99 C105 P107	R51-F53 HydrophobicContact CB-CE2 4.39Å; R51-F53 WeakPolarHBondContact O-CD2 3.28Å; F53-I57 HydrophobicContact CB-CB 4.36Å; F53-I57 HydrophobicContact CB-CG2 3.9Å; F53-I57 PolarHBondContact N-O 3.09Å; F53-C59 HydrophobicContact CD2-CB 3.76Å; F53-C59 HydrophobicContact CE2-CB 3.75Å; F53-S87 VanDerWaalsContact CE1-O 3.31Å; F53-S87 WeakPolarHBondContact CE1-O 3.15Å; F53-S87 VanDerWaalsContact CZ-CB 3.48Å; F53-R97 HydrophobicContact CE1-CB 4.08Å; F53-A99 HydrophobicContact CD1-CB 4.01Å; F53-A99 HydrophobicContact CD2-CB 4.09Å; F53-A99 HydrophobicContact CE1-CB 3.64Å; F53-A99 HydrophobicContact CE2-CB 3.76Å; F53-A99 HydrophobicContact CG-CB 4.23Å; F53-A99 VanDerWaalsContact CZ-CA 3.43Å; F53-A99 HydrophobicContact CZ-CB 3.52Å; F53-C105 HydrophobicContact CB-CB 4.04Å; F53-C105 HydrophobicContact CD1-CB 3.88Å; F53-C105 HydrophobicContact CG-CB 4.1Å; F53-P107 WeakPolarHBondContact O-CA 3.38Å
54	G	95.8	Very high	95	Very high	12 Å²	12	49 Å²	49	12%	0.124	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	174.8	177	0	0	0	0	0	109.3	N56 I57 C75	G54-N56 PolarHBondContact O-N 2.98Å; G54-N56 VanDerWaalsContact O-N 3.09Å; G54-I57 PolarHBondContact O-N 2.97Å; G54-C75 VanDerWaalsContact O-CB 3.23Å; G54-C75 WeakPolarHBondContact O-CB 3.23Å
55	P	95.6	Very high	95	Very high	42 Å²	42	50.6 Å²	50.6	27%	0.273	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-24.8	-174.2	24.2	-34.6	0	0	0	113.5	C75 Q76	P55-C75 CarbonylContact O-C 3.39Å; P55-C75 WeakPolarHBondContact O-CB 3.35Å; P55-Q76 VanDerWaalsContact O-CG 3.26Å; P55-Q76 WeakPolarHBondContact O-CG 3.39Å; P55-Q76 PolarHBondContact O-N 3.02Å
56	N	96.8	Very high	95	Very high	71 Å²	71	51.8 Å²	51.8	38%	0.38	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	28.5	178.7	-60	-54.9	0	0	0	112.2	G54 V67 G68 A72 Q76	G54-N56 PolarHBondContact O-N 2.98Å; G54-N56 VanDerWaalsContact O-N 3.09Å; N56-V67 WeakPolarHBondContact O-CA 3.46Å; N56-G68 PolarHBondContact O-N 2.78Å; N56-A72 VanDerWaalsContact C-CB 3.48Å; N56-Q76 PolarHBondContact OD1-NE2 3.2Å
57	I	97.7	Very high	95.1	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	116.2	-177.3	-55.6	172.8	0	0	0	109.6	C52 F53 G54 V67 S106	C52-I57 WeakPolarHBondContact CA-O 3.49Å; F53-I57 HydrophobicContact CB-CB 4.36Å; F53-I57 HydrophobicContact CB-CG2 3.9Å; F53-I57 PolarHBondContact N-O 3.09Å; G54-I57 PolarHBondContact O-N 2.97Å; I57-V67 HydrophobicContact CG1-CG1 4.3Å; I57-V67 HydrophobicContact CG1-CG2 4.41Å; I57-V67 HydrophobicContact CG2-CG2 4.32Å; I57-S106 VanDerWaalsContact CD1-O 3.26Å; I57-S106 WeakPolarHBondContact CD1-O 3.43Å
58	C	97.7	Very high	95.3	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127	174.2	177.8	0	0	0	0	110.5	C44 G45 C65 F66 A72	C44-C58 HydrophobicContact CB-CB 3.81Å; C44-C58 WeakPolarHBondContact CB-SG 3Å; C44-C58 WeakPolarHBondContact SG-CA 3.36Å; C44-C58 WeakPolarHBondContact SG-CB 3.09Å; C44-C58 CovalentContact SG-SG 2.02Å; C44-C58 PolarHBondContact SG-SG 2.02Å; G45-C58 PolarHBondContact N-SG 3.35Å; C58-C65 CarbonylContact O-C 3.44Å; C58-C65 WeakPolarHBondContact O-CA 3.36Å; C58-F66 HydrophobicContact CB-CB 4.31Å; C58-F66 PolarHBondContact N-O 2.04Å; C58-F66 PolarHBondContact O-N 3.22Å; C58-A72 HydrophobicContact CB-CB 3.87Å
59	C	97.6	Very high	95.3	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.034	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137.2	179.6	-61.8	0	0	0	0	111.9	G50 R51 F53 G64 C65 A99	G50-C59 CarbonylContact C-O 3.5Å; G50-C59 WeakPolarHBondContact CA-O 3.06Å; R51-C59 PolarHBondContact N-O 2.95Å; R51-C59 PolarHBondContact O-N 3.3Å; F53-C59 HydrophobicContact CD2-CB 3.76Å; F53-C59 HydrophobicContact CE2-CB 3.75Å; C59-G64 WeakPolarHBondContact CA-O 3.38Å; C59-C65 HydrophobicContact CB-CB 4.14Å; C59-C65 WeakPolarHBondContact CB-SG 3.26Å; C59-C65 WeakPolarHBondContact SG-CB 3.42Å; C59-C65 CovalentContact SG-SG 2.03Å; C59-C65 PolarHBondContact SG-SG 3.27Å; C59-A99 HydrophobicContact CB-CB 3.7Å; C59-A99 VanDerWaalsContact SG-CB 3.54Å
60	A	94.6	Very high	95.4	Very high	6 Å²	6	49.7 Å²	49.7	5%	0.05	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	133.6	173.1	0	0	0	0	0	109.3	E62 L63 G64 V100	A60-E62 PolarHBondContact O-N 3.22Å; A60-E62 VanDerWaalsContact O-N 3.12Å; A60-L63 HydrophobicContact CB-CB 4.11Å; A60-L63 HydrophobicContact CB-CD1 4.2Å; A60-L63 HydrophobicContact CB-CG 4.31Å; A60-L63 PolarHBondContact O-N 3.15Å; A60-G64 PolarHBondContact N-O 3.24Å; A60-G64 PolarHBondContact O-N 3.22Å; A60-V100 WeakPolarHBondContact O-CG1 3.21Å
61	E	89.5	Confident	95.4	Very high	167 Å²	167	52.9 Å²	52.9	78%	0.78	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-39.8	-174.5	-167.4	170.8	178.8	0	0	113.5
62	E	88	Confident	95.4	Very high	152 Å²	152	48.2 Å²	48.2	71%	0.71	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-16.9	-179.8	-59.8	178.8	159.7	0	0	114.5	K49 A60	K49-E62 IonicContact NZ-OE2 3.01Å; K49-E62 PolarHBondContact NZ-OE2 2.99Å; A60-E62 PolarHBondContact O-N 3.22Å; A60-E62 VanDerWaalsContact O-N 3.12Å
63	L	90.8	Very high	95.4	Very high	79 Å²	79	53 Å²	53	41%	0.414	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.6	-11	-171.2	-56.8	172.9	0	0	0	113.7	P46 A60 F66	P46-L63 HydrophobicContact CB-CD1 4.16Å; P46-L63 HydrophobicContact CG-CD1 3.93Å; A60-L63 HydrophobicContact CB-CB 4.11Å; A60-L63 HydrophobicContact CB-CD1 4.2Å; A60-L63 HydrophobicContact CB-CG 4.31Å; A60-L63 PolarHBondContact O-N 3.15Å; L63-F66 HydrophobicContact CB-CE2 3.89Å; L63-F66 HydrophobicContact CB-CZ 4.11Å; L63-F66 HydrophobicContact CD1-CE2 4.32Å
64	G	94.3	Very high	95.4	Very high	24 Å²	24	57.3 Å²	57.3	25%	0.247	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	82.8	-152.1	-171.6	0	0	0	0	0	112.6	C59 A60	C59-G64 WeakPolarHBondContact CA-O 3.38Å; A60-G64 PolarHBondContact N-O 3.24Å; A60-G64 PolarHBondContact O-N 3.22Å
65	C	96.7	Very high	95.4	Very high	36 Å²	36	56.7 Å²	56.7	24%	0.243	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	136.8	-178.3	-70.7	0	0	0	0	112.1	C58 C59 L103	C58-C65 CarbonylContact O-C 3.44Å; C58-C65 WeakPolarHBondContact O-CA 3.36Å; C59-C65 HydrophobicContact CB-CB 4.14Å; C59-C65 WeakPolarHBondContact CB-SG 3.26Å; C59-C65 WeakPolarHBondContact SG-CB 3.42Å; C59-C65 CovalentContact SG-SG 2.03Å; C59-C65 PolarHBondContact SG-SG 3.27Å; C65-L103 HydrophobicContact CB-CD2 3.86Å; C65-L103 VanDerWaalsContact SG-CD2 3.51Å
66	F	96.5	Very high	95.5	Very high	47 Å²	47	58.6 Å²	58.6	21%	0.206	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	109.3	178	-64.1	-76.4	0	0	0	108.4	C58 L63 T69 E71	C58-F66 HydrophobicContact CB-CB 4.31Å; C58-F66 PolarHBondContact N-O 2.04Å; C58-F66 PolarHBondContact O-N 3.22Å; L63-F66 HydrophobicContact CB-CE2 3.89Å; L63-F66 HydrophobicContact CB-CZ 4.11Å; L63-F66 HydrophobicContact CD1-CE2 4.32Å; F66-T69 WeakPolarHBondContact CB-OG1 3.1Å; F66-E71 HydrophobicContact CB-CB 3.87Å; F66-E71 HydrophobicContact CD1-CB 4.18Å; F66-E71 HydrophobicContact CD1-CG 3.9Å; F66-E71 HydrophobicContact CD2-CB 4.02Å; F66-E71 HydrophobicContact CD2-CG 4.19Å; F66-E71 HydrophobicContact CE1-CG 4.11Å; F66-E71 HydrophobicContact CE2-CG 4.38Å; F66-E71 HydrophobicContact CG-CB 3.76Å; F66-E71 HydrophobicContact CG-CG 3.95Å; F66-E71 HydrophobicContact CZ-CG 4.35Å
67	V	96.4	Very high	95.4	Very high	82 Å²	82	59.9 Å²	59.9	50%	0.497	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	117.8	-176.7	-177.7	0	0	0	0	109.2	N56 I57 T69	N56-V67 WeakPolarHBondContact O-CA 3.46Å; I57-V67 HydrophobicContact CG1-CG1 4.3Å; I57-V67 HydrophobicContact CG1-CG2 4.41Å; I57-V67 HydrophobicContact CG2-CG2 4.32Å; V67-T69 VanDerWaalsContact C-N 3.25Å; V67-T69 PolarHBondContact O-N 3.34Å
68	G	95.5	Very high	95.4	Very high	63 Å²	63	60.7 Å²	60.7	65%	0.649	33%	0.333	S	S	*	.	S	Bend	trans	69.2	18.9	179.9	0	0	0	0	0	114.8	N56	N56-G68 PolarHBondContact O-N 2.78Å
69	T	96.2	Very high	95.1	Very high	54 Å²	54	66 Å²	66	33%	0.331	36%	0.362	S	S	.	.	S	Bend	trans	-105.2	174.7	179.4	71.4	0	0	0	0	111.9	F66 V67 E71 A72	F66-T69 WeakPolarHBondContact CB-OG1 3.1Å; V67-T69 VanDerWaalsContact C-N 3.25Å; V67-T69 PolarHBondContact O-N 3.34Å; T69-E71 WeakPolarHBondContact CB-OE2 3.45Å; T69-E71 PolarHBondContact O-N 2.93Å; T69-E71 PolarHBondContact OG1-OE2 3.5Å; T69-A72 PolarHBondContact O-N 3.42Å; T69-A72 VanDerWaalsContact O-N 3.15Å
70	A	96.6	Very high	95	Very high	72 Å²	72	75.2 Å²	75.2	60%	0.595	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-59.3	-33.2	-180	0	0	0	0	0	113.1	A72 L73	A70-A72 PolarHBondContact O-N 2.05Å; A70-L73 HydrophobicContact CB-CD1 4.35Å; A70-L73 WeakPolarHBondContact O-CB 3.31Å; A70-L73 PolarHBondContact O-N 2.89Å
71	E	96.3	Very high	94.9	Very high	67 Å²	67	78.3 Å²	78.3	31%	0.313	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-61.3	-27	179.1	-66.2	74.8	-160.3	0	0	112.9	G45 F66 T69	G45-E71 PolarHBondContact N-O 3.42Å; F66-E71 HydrophobicContact CB-CB 3.87Å; F66-E71 HydrophobicContact CD1-CB 4.18Å; F66-E71 HydrophobicContact CD1-CG 3.9Å; F66-E71 HydrophobicContact CD2-CB 4.02Å; F66-E71 HydrophobicContact CD2-CG 4.19Å; F66-E71 HydrophobicContact CE1-CG 4.11Å; F66-E71 HydrophobicContact CE2-CG 4.38Å; F66-E71 HydrophobicContact CG-CB 3.76Å; F66-E71 HydrophobicContact CG-CG 3.95Å; F66-E71 HydrophobicContact CZ-CG 4.35Å; T69-E71 WeakPolarHBondContact CB-OE2 3.45Å; T69-E71 PolarHBondContact O-N 2.93Å; T69-E71 PolarHBondContact OG1-OE2 3.5Å
72	A	97.1	Very high	95	Very high	1 Å²	1	75.7 Å²	75.7	1%	0.008	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-95.9	-4.6	-178.1	0	0	0	0	0	114.1	N56 C58 T69 A70 R74 C75	N56-A72 VanDerWaalsContact C-CB 3.48Å; C58-A72 HydrophobicContact CB-CB 3.87Å; T69-A72 PolarHBondContact O-N 3.42Å; T69-A72 VanDerWaalsContact O-N 3.15Å; A70-A72 PolarHBondContact O-N 2.05Å; A72-R74 PolarHBondContact O-N 2.7Å; A72-C75 WeakPolarHBondContact O-CB 3.28Å; A72-C75 PolarHBondContact O-N 3.43Å
73	L	96.4	Very high	95	Very high	103 Å²	103	71.1 Å²	71.1	54%	0.539	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-57.1	-37.4	-178.2	-73.4	172.7	0	0	0	112.8	A70 C75 Q76	A70-L73 HydrophobicContact CB-CD1 4.35Å; A70-L73 WeakPolarHBondContact O-CB 3.31Å; A70-L73 PolarHBondContact O-N 2.89Å; L73-C75 PolarHBondContact O-N 3.25Å; L73-Q76 WeakPolarHBondContact O-CB 3.3Å; L73-Q76 PolarHBondContact O-N 3.21Å; L73-Q76 VanDerWaalsContact O-N 3.16Å
74	R	96.2	Very high	95	Very high	115 Å²	115	71.7 Å²	71.7	43%	0.434	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-61.8	-25.1	177	-169.8	171.1	-179.7	-173.1	3.5	112.9	P43 A72 Q76 E77	P43-R74 WeakPolarHBondContact O-CD 3.4Å; P43-R74 PolarHBondContact O-NH1 2.55Å; A72-R74 PolarHBondContact O-N 2.7Å; R74-Q76 PolarHBondContact O-N 2.79Å; R74-E77 HydrophobicContact CG-CG 4.48Å; R74-E77 IonicContact NE-OE2 3.58Å; R74-E77 WeakPolarHBondContact O-CB 3.47Å; R74-E77 WeakPolarHBondContact O-CG 3.34Å; R74-E77 PolarHBondContact O-N 3.45Å
75	C	97.5	Very high	95	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	40%	0.403	C	S	.	.	G	3₁₀ helix	trans	-68.3	-15.6	179.4	-59.8	0	0	0	0	113.3	C52 G54 P55 A72 L73 E77 E78	C52-C75 WeakPolarHBondContact CA-SG 3.39Å; C52-C75 HydrophobicContact CB-CB 3.6Å; C52-C75 WeakPolarHBondContact CB-SG 3.26Å; C52-C75 WeakPolarHBondContact SG-CA 3.47Å; C52-C75 WeakPolarHBondContact SG-CB 3.29Å; C52-C75 CovalentContact SG-SG 2.04Å; C52-C75 PolarHBondContact SG-SG 2.91Å; G54-C75 VanDerWaalsContact O-CB 3.23Å; G54-C75 WeakPolarHBondContact O-CB 3.23Å; P55-C75 CarbonylContact O-C 3.39Å; P55-C75 WeakPolarHBondContact O-CB 3.35Å; A72-C75 WeakPolarHBondContact O-CB 3.28Å; A72-C75 PolarHBondContact O-N 3.43Å; L73-C75 PolarHBondContact O-N 3.25Å; C75-E77 PolarHBondContact O-N 3.38Å; C75-E78 WeakPolarHBondContact O-CB 3.44Å; C75-E78 PolarHBondContact O-N 3.2Å
76	Q	96.5	Very high	94.8	Very high	81 Å²	81	74.7 Å²	74.7	38%	0.379	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-67.7	-24.1	170.9	-61	-179.1	16.3	0	0	112.2	P55 N56 L73 R74 E78 N79 Y80	P55-Q76 VanDerWaalsContact O-CG 3.26Å; P55-Q76 WeakPolarHBondContact O-CG 3.39Å; P55-Q76 PolarHBondContact O-N 3.02Å; N56-Q76 PolarHBondContact OD1-NE2 3.2Å; L73-Q76 WeakPolarHBondContact O-CB 3.3Å; L73-Q76 PolarHBondContact O-N 3.21Å; L73-Q76 VanDerWaalsContact O-N 3.16Å; R74-Q76 PolarHBondContact O-N 2.79Å; Q76-E78 PolarHBondContact O-N 3.24Å; Q76-N79 WeakPolarHBondContact O-CB 3.48Å; Q76-N79 PolarHBondContact O-N 2.89Å; Q76-Y80 WeakPolarHBondContact O-CD2 2.99Å
77	E	96.1	Very high	94.7	Very high	98 Å²	98	72.9 Å²	72.9	46%	0.458	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-61.1	-28.6	175	-64.5	174.5	-170.5	0	0	111.6	L42 R74 C75 N79 Y80	L42-E77 HydrophobicContact CD1-CB 3.61Å; R74-E77 HydrophobicContact CG-CG 4.48Å; R74-E77 IonicContact NE-OE2 3.58Å; R74-E77 WeakPolarHBondContact O-CB 3.47Å; R74-E77 WeakPolarHBondContact O-CG 3.34Å; R74-E77 PolarHBondContact O-N 3.45Å; C75-E77 PolarHBondContact O-N 3.38Å; E77-N79 PolarHBondContact O-N 3.29Å; E77-Y80 PolarHBondContact O-N 2.76Å; E77-Y80 VanDerWaalsContact O-N 3.1Å
78	E	95.8	Very high	94.5	Very high	23 Å²	23	70.3 Å²	70.3	11%	0.107	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-57.6	-33	176.3	-78.4	-69	176.7	0	0	112.7	R39 C41 L42 C52 C75 Q76 Y80 L81 C85	R39-E78 IonicContact CZ-OE1 3.77Å; R39-E78 IonicContact CZ-OE2 3.27Å; R39-E78 VanDerWaalsContact CZ-OE2 3.27Å; R39-E78 VanDerWaalsContact NH1-CD 3.34Å; R39-E78 IonicContact NH1-OE1 2.79Å; R39-E78 PolarHBondContact NH1-OE1 3.2Å; R39-E78 IonicContact NH1-OE2 3.06Å; R39-E78 PolarHBondContact NH1-OE2 3.49Å; R39-E78 IonicContact NH2-OE1 3.87Å; R39-E78 IonicContact NH2-OE2 2.64Å; R39-E78 PolarHBondContact NH2-OE2 3.11Å; C41-E78 WeakPolarHBondContact CA-OE1 3.41Å; C41-E78 VanDerWaalsContact CB-OE1 3.31Å; C41-E78 WeakPolarHBondContact CB-OE1 3.4Å; L42-E78 HydrophobicContact CB-CG 4.39Å; L42-E78 HydrophobicContact CD1-CG 4.11Å; L42-E78 HydrophobicContact CG-CG 4.24Å; L42-E78 WeakPolarHBondContact CG-OE1 3.23Å; L42-E78 PolarHBondContact N-OE1 2.58Å; C52-E78 HydrophobicContact CB-CG 4.35Å; C75-E78 WeakPolarHBondContact O-CB 3.44Å; C75-E78 PolarHBondContact O-N 3.2Å; Q76-E78 PolarHBondContact O-N 3.24Å; E78-Y80 PolarHBondContact O-N 2.89Å; E78-Y80 VanDerWaalsContact O-N 3.13Å; E78-L81 PolarHBondContact O-N 3.16Å; E78-L81 VanDerWaalsContact O-N 3.09Å; E78-C85 PolarHBondContact OE1-SG 3.13Å; E78-C85 VanDerWaalsContact OE1-SG 3.42Å; E78-C85 PolarHBondContact OE2-SG 3.1Å
79	N	93.3	Very high	94	Very high	112 Å²	112	76.4 Å²	76.4	60%	0.599	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-65.5	-18.1	-179.4	-65.6	-31.6	0	0	0	113.4	Q76 E77	Q76-N79 WeakPolarHBondContact O-CB 3.48Å; Q76-N79 PolarHBondContact O-N 2.89Å; E77-N79 PolarHBondContact O-N 3.29Å
80	Y	94.8	Very high	93.8	Very high	198 Å²	198	77 Å²	77	78%	0.776	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-98.4	-7.5	179.4	-56.1	-80.4	0	0	0	112.6	Q76 E77 E78	Q76-Y80 WeakPolarHBondContact O-CD2 2.99Å; E77-Y80 PolarHBondContact O-N 2.76Å; E77-Y80 VanDerWaalsContact O-N 3.1Å; E78-Y80 PolarHBondContact O-N 2.89Å; E78-Y80 VanDerWaalsContact O-N 3.13Å
81	L	93.2	Very high	93.7	Very high	70 Å²	70	77 Å²	77	37%	0.366	40%	0.403	S	S	.	.			trans	-86.2	124.6	179.1	-64.7	-179.6	0	0	0	110.1	R39 L42 E78 S83	R39-L81 VanDerWaalsContact NH2-CB 3.32Å; L42-L81 HydrophobicContact CD1-CD1 4Å; L42-L81 HydrophobicContact CD2-CD1 4.28Å; L42-L81 HydrophobicContact CG-CD1 4.08Å; E78-L81 PolarHBondContact O-N 3.16Å; E78-L81 VanDerWaalsContact O-N 3.09Å; L81-S83 VanDerWaalsContact C-N 3.26Å; L81-S83 PolarHBondContact O-N 2.87Å
82	P	89.8	Confident	93.7	Very high	113 Å²	113	74.2 Å²	74.2	73%	0.734	39%	0.391	S	S	*	.	S	Bend	trans	-74.8	-14.4	-176.6	29.5	-35.6	0	0	0	113.6
83	S	88.8	Confident	93.4	Very high	55 Å²	55	76.9 Å²	76.9	39%	0.385	42%	0.419	S	S	.	.	S	Bend	trans	-92.4	135.1	-179.6	52.8	0	0	0	0	111.4	R39 L81	R39-S83 PolarHBondContact NE-O 2.8Å; R39-S83 PolarHBondContact NE-OG 2.64Å; R39-S83 PolarHBondContact NH2-O 3.4Å; L81-S83 VanDerWaalsContact C-N 3.26Å; L81-S83 PolarHBondContact O-N 2.87Å
84	P	90.7	Very high	93	Very high	91 Å²	91	77.9 Å²	77.9	59%	0.591	43%	0.434	S	S	*	.			trans	-65	148.2	177.3	29.3	-35.2	0	0	0	110.5	R39	R39-P84 WeakPolarHBondContact CG-O 3Å
85	C	93.8	Very high	92.7	Very high	38 Å²	38	75.7 Å²	75.7	26%	0.257	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-131.8	160.6	175.8	81.5	0	0	0	0	111.5	R39 C41 E78	R39-C85 HydrophobicContact CG-CB 3.87Å; R39-C85 CarbonylContact O-C 3.57Å; R39-C85 WeakPolarHBondContact O-CA 3.03Å; R39-C85 WeakPolarHBondContact O-CB 2.9Å; C41-C85 VanDerWaalsContact CA-SG 3.56Å; C41-C85 HydrophobicContact CB-CB 3.87Å; C41-C85 WeakPolarHBondContact CB-SG 3.45Å; C41-C85 WeakPolarHBondContact SG-CB 2.94Å; C41-C85 CovalentContact SG-SG 2.05Å; C41-C85 PolarHBondContact SG-SG 3.06Å; E78-C85 PolarHBondContact OE1-SG 3.13Å; E78-C85 VanDerWaalsContact OE1-SG 3.42Å; E78-C85 PolarHBondContact OE2-SG 3.1Å
86	Q	93.7	Very high	92.6	Very high	85 Å²	85	75.9 Å²	75.9	40%	0.397	45%	0.449	S	S	.	.			trans	-148	134.8	176.2	-171.2	164	72.7	0	0	111.8	V38 R39 K40 C41 R97	V38-Q86 HydrophobicContact CG1-CB 3.72Å; R39-Q86 PolarHBondContact O-N 3.17Å; K40-Q86 WeakPolarHBondContact CA-O 3.46Å; C41-Q86 PolarHBondContact SG-N 3.23Å; Q86-R97 VanDerWaalsContact CG-NE 3.31Å
87	S	93.8	Very high	92.5	Very high	10 Å²	10	74.8 Å²	74.8	7%	0.07	44%	0.442	C	S	.	.			trans	-115.3	150.9	172.7	-61.2	0	0	0	0	110.5	C41 R51 C52 F53 R97	C41-S87 WeakPolarHBondContact CB-OG 3.07Å; R51-S87 WeakPolarHBondContact CB-OG 3.31Å; C52-S87 VanDerWaalsContact O-CB 3.29Å; C52-S87 WeakPolarHBondContact O-CB 3.41Å; C52-S87 PolarHBondContact O-OG 3.09Å; F53-S87 VanDerWaalsContact CE1-O 3.31Å; F53-S87 WeakPolarHBondContact CE1-O 3.15Å; F53-S87 VanDerWaalsContact CZ-CB 3.48Å; S87-R97 WeakPolarHBondContact O-CB 3.05Å; S87-R97 WeakPolarHBondContact O-CD 3.21Å
88	G	91.8	Very high	92.5	Very high	28 Å²	28	71.1 Å²	71.1	29%	0.289	43%	0.427	S	S	.	.			trans	79.3	136.2	-175.9	0	0	0	0	0	112.5	R97	G88-R97 WeakPolarHBondContact O-CD 2.98Å; G88-R97 PolarHBondContact O-NH1 2.86Å
89	Q	86	Confident	92.5	Very high	191 Å²	191	70.8 Å²	70.8	89%	0.893	43%	0.428	S	S	*	.	S	Bend	trans	-86.6	-41.6	-178.1	-67.8	-174.4	-55.5	0	0	112.2	R97	Q89-R97 PolarHBondContact O-NH1 3.28Å
90	K	92.4	Very high	92.5	Very high	67 Å²	67	66.5 Å²	66.5	29%	0.291	41%	0.406	S	S	.	.	S	Bend	trans	-90.1	127	-174.6	-171.8	175.8	-169.9	174.9	0	111	R97 C98 A115 A120	K90-R97 CarbonylContact O-C 3.52Å; K90-R97 VanDerWaalsContact O-CA 3.28Å; K90-R97 WeakPolarHBondContact O-CA 3.14Å; K90-C98 HydrophobicContact CB-CB 4.16Å; K90-C98 PolarHBondContact O-N 3.32Å; K90-A115 WeakPolarHBondContact CE-O 3.36Å; K90-A115 PolarHBondContact NZ-O 3.28Å; K90-A120 PolarHBondContact NZ-O 3.41Å; K90-A120 VanDerWaalsContact NZ-O 3.13Å
91	A	93.9	Very high	92.5	Very high	70 Å²	70	62.9 Å²	62.9	58%	0.579	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.9	147.4	171.9	0	0	0	0	0	111
92	C	95.2	Very high	92.5	Very high	9 Å²	9	60.2 Å²	60.2	6%	0.061	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	156.3	177.8	56.2	0	0	0	0	110	G96 R97 C98 C104 D113 C116	C92-G96 PolarHBondContact N-O 3.15Å; C92-G96 CarbonylContact O-C 3.29Å; C92-G96 VanDerWaalsContact O-C 3.29Å; C92-G96 VanDerWaalsContact O-CA 3.26Å; C92-G96 WeakPolarHBondContact O-CA 3.38Å; C92-G96 PolarHBondContact O-N 3.42Å; C92-G96 VanDerWaalsContact SG-C 3.53Å; C92-R97 WeakPolarHBondContact SG-CA 3.33Å; C92-R97 PolarHBondContact SG-N 3.38Å; C92-R97 VanDerWaalsContact SG-N 3.36Å; C92-C98 PolarHBondContact SG-N 3.3Å; C92-C98 VanDerWaalsContact SG-N 3.38Å; C92-C104 HydrophobicContact CB-CB 3.75Å; C92-C104 WeakPolarHBondContact CB-SG 3.38Å; C92-C104 PolarHBondContact O-SG 3.26Å; C92-C104 WeakPolarHBondContact SG-CA 3.45Å; C92-C104 WeakPolarHBondContact SG-CB 3.47Å; C92-C104 CovalentContact SG-SG 2.02Å; C92-C104 PolarHBondContact SG-SG 3.35Å; C92-D113 WeakPolarHBondContact CB-OD2 3.29Å; C92-C116 VanDerWaalsContact SG-SG 3.67Å
93	G	91.2	Very high	92.8	Very high	57 Å²	57	56.9 Å²	56.9	59%	0.588	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	-147.8	-177.8	0	0	0	0	0	115.1	G95	G93-G95 PolarHBondContact O-N 3.08Å
94	S	88.1	Confident	93.1	Very high	124 Å²	124	54.2 Å²	54.2	87%	0.867	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	82.4	177.6	57.5	0	0	0	0	111.4
95	G	90.4	Very high	93.4	Very high	69 Å²	69	50 Å²	50	71%	0.711	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	12.6	178.1	0	0	0	0	0	114.9	G93	G93-G95 PolarHBondContact O-N 3.08Å
96	G	94.7	Very high	93.5	Very high	4 Å²	4	49.5 Å²	49.5	4%	0.041	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	169.8	173	0	0	0	0	0	112.8	C92 C105	C92-G96 PolarHBondContact N-O 3.15Å; C92-G96 CarbonylContact O-C 3.29Å; C92-G96 VanDerWaalsContact O-C 3.29Å; C92-G96 VanDerWaalsContact O-CA 3.26Å; C92-G96 WeakPolarHBondContact O-CA 3.38Å; C92-G96 PolarHBondContact O-N 3.42Å; C92-G96 VanDerWaalsContact SG-C 3.53Å; G96-C105 CarbonylContact C-O 3.57Å; G96-C105 VanDerWaalsContact CA-O 3.23Å; G96-C105 WeakPolarHBondContact CA-O 3.48Å
97	R	95.7	Very high	93.5	Very high	59 Å²	59	49.1 Å²	49.1	22%	0.223	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	146.3	174.3	-68.4	-174.3	163.8	-102.7	-4.7	111.1	F53 Q86 S87 G88 Q89 K90 C92 A99 C105	F53-R97 HydrophobicContact CE1-CB 4.08Å; Q86-R97 VanDerWaalsContact CG-NE 3.31Å; S87-R97 WeakPolarHBondContact O-CB 3.05Å; S87-R97 WeakPolarHBondContact O-CD 3.21Å; G88-R97 WeakPolarHBondContact O-CD 2.98Å; G88-R97 PolarHBondContact O-NH1 2.86Å; Q89-R97 PolarHBondContact O-NH1 3.28Å; K90-R97 CarbonylContact O-C 3.52Å; K90-R97 VanDerWaalsContact O-CA 3.28Å; K90-R97 WeakPolarHBondContact O-CA 3.14Å; C92-R97 WeakPolarHBondContact SG-CA 3.33Å; C92-R97 PolarHBondContact SG-N 3.38Å; C92-R97 VanDerWaalsContact SG-N 3.36Å; R97-A99 PolarHBondContact O-N 3.42Å; R97-A99 VanDerWaalsContact O-N 3.13Å; R97-C105 PolarHBondContact N-O 3.23Å; R97-C105 PolarHBondContact O-N 3Å
98	C	96.1	Very high	93.4	Very high	21 Å²	21	56.2 Å²	56.2	14%	0.142	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	115.1	177.8	-61.9	0	0	0	0	109.1	K90 C92 C116	K90-C98 HydrophobicContact CB-CB 4.16Å; K90-C98 PolarHBondContact O-N 3.32Å; C92-C98 PolarHBondContact SG-N 3.3Å; C92-C98 VanDerWaalsContact SG-N 3.38Å; C98-C116 WeakPolarHBondContact CA-SG 3.47Å; C98-C116 HydrophobicContact CB-CB 3.63Å; C98-C116 WeakPolarHBondContact CB-SG 3.28Å; C98-C116 WeakPolarHBondContact SG-CA 3.32Å; C98-C116 WeakPolarHBondContact SG-CB 3.39Å; C98-C116 CovalentContact SG-SG 2.04Å; C98-C116 PolarHBondContact SG-SG 2.94Å
99	A	95.1	Very high	93.5	Very high	16 Å²	16	55.9 Å²	55.9	13%	0.132	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-41.4	-175.7	0	0	0	0	0	111.8	F53 C59 R97 L103 C105	F53-A99 HydrophobicContact CD1-CB 4.01Å; F53-A99 HydrophobicContact CD2-CB 4.09Å; F53-A99 HydrophobicContact CE1-CB 3.64Å; F53-A99 HydrophobicContact CE2-CB 3.76Å; F53-A99 HydrophobicContact CG-CB 4.23Å; F53-A99 VanDerWaalsContact CZ-CA 3.43Å; F53-A99 HydrophobicContact CZ-CB 3.52Å; C59-A99 HydrophobicContact CB-CB 3.7Å; C59-A99 VanDerWaalsContact SG-CB 3.54Å; R97-A99 PolarHBondContact O-N 3.42Å; R97-A99 VanDerWaalsContact O-N 3.13Å; A99-L103 PolarHBondContact N-O 3.21Å; A99-C105 HydrophobicContact CB-CB 3.94Å; A99-C105 WeakPolarHBondContact CB-SG 3.4Å
100	V	93.9	Very high	94	Very high	22 Å²	22	48.7 Å²	48.7	13%	0.133	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	173.9	172.2	-60.1	0	0	0	0	108.3	A60 G102 L103	A60-V100 WeakPolarHBondContact O-CG1 3.21Å; V100-G102 PolarHBondContact O-N 2.96Å; V100-L103 HydrophobicContact CG2-CB 3.62Å; V100-L103 HydrophobicContact CG2-CD2 3.95Å; V100-L103 HydrophobicContact CG2-CG 4.45Å; V100-L103 PolarHBondContact O-N 3.47Å; V100-L103 VanDerWaalsContact O-N 3.15Å
101	L	93.6	Very high	94.1	Very high	121 Å²	121	49.8 Å²	49.8	63%	0.634	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	127	179	-68.3	173.5	0	0	0	111.4	L103 A118	L101-L103 PolarHBondContact O-N 3.49Å; L101-A118 HydrophobicContact CD2-CB 3.92Å
102	G	93.9	Very high	94.2	Very high	15 Å²	15	50.5 Å²	50.5	16%	0.155	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	8.5	178.2	0	0	0	0	0	115.8	V100 A112 D113 C116 D117	V100-G102 PolarHBondContact O-N 2.96Å; G102-A112 CarbonylContact O-C 3.56Å; G102-A112 VanDerWaalsContact O-CA 3.3Å; G102-A112 WeakPolarHBondContact O-CA 3.26Å; G102-D113 CarbonylContact C-O 3.49Å; G102-D113 PolarHBondContact O-N 3.03Å; G102-C116 PolarHBondContact N-O 3.47Å; G102-C116 VanDerWaalsContact N-O 3.09Å; G102-D117 WeakPolarHBondContact CA-OD1 3.42Å; G102-D117 PolarHBondContact N-OD1 3.04Å
103	L	95	Very high	94.2	Very high	42 Å²	42	51.3 Å²	51.3	22%	0.22	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	118.3	-177.1	-160.7	77.4	0	0	0	112.7	C65 A99 V100 L101 C110 H111	C65-L103 HydrophobicContact CB-CD2 3.86Å; C65-L103 VanDerWaalsContact SG-CD2 3.51Å; A99-L103 PolarHBondContact N-O 3.21Å; V100-L103 HydrophobicContact CG2-CB 3.62Å; V100-L103 HydrophobicContact CG2-CD2 3.95Å; V100-L103 HydrophobicContact CG2-CG 4.45Å; V100-L103 PolarHBondContact O-N 3.47Å; V100-L103 VanDerWaalsContact O-N 3.15Å; L101-L103 PolarHBondContact O-N 3.49Å; L103-C110 HydrophobicContact CD1-CB 4.4Å; L103-C110 HydrophobicContact CD2-CB 3.98Å; L103-C110 HydrophobicContact CG-CB 4.1Å; L103-H111 WeakPolarHBondContact CD1-O 3.45Å
104	C	96.3	Very high	94.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	125.1	174.6	-174	0	0	0	0	111	C92 C110 H111 D113	C92-C104 HydrophobicContact CB-CB 3.75Å; C92-C104 WeakPolarHBondContact CB-SG 3.38Å; C92-C104 PolarHBondContact O-SG 3.26Å; C92-C104 WeakPolarHBondContact SG-CA 3.45Å; C92-C104 WeakPolarHBondContact SG-CB 3.47Å; C92-C104 CovalentContact SG-SG 2.02Å; C92-C104 PolarHBondContact SG-SG 3.35Å; C104-C110 CarbonylContact O-C 3.59Å; C104-C110 VanDerWaalsContact O-CA 3.23Å; C104-C110 WeakPolarHBondContact O-CA 3.32Å; C104-H111 PolarHBondContact N-O 2.88Å; C104-H111 PolarHBondContact O-N 3.41Å; C104-H111 PolarHBondContact O-ND1 3.04Å; C104-D113 HydrophobicContact CB-CB 3.5Å; C104-D113 VanDerWaalsContact CB-CB 3.5Å
105	C	97.1	Very high	94.4	Very high	3 Å²	3	49 Å²	49	2%	0.02	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	131.9	178.7	-65	0	0	0	0	111.9	F53 G96 R97 A99 C110	F53-C105 HydrophobicContact CB-CB 4.04Å; F53-C105 HydrophobicContact CD1-CB 3.88Å; F53-C105 HydrophobicContact CG-CB 4.1Å; G96-C105 CarbonylContact C-O 3.57Å; G96-C105 VanDerWaalsContact CA-O 3.23Å; G96-C105 WeakPolarHBondContact CA-O 3.48Å; R97-C105 PolarHBondContact N-O 3.23Å; R97-C105 PolarHBondContact O-N 3Å; A99-C105 HydrophobicContact CB-CB 3.94Å; A99-C105 WeakPolarHBondContact CB-SG 3.4Å; C105-C110 HydrophobicContact CB-CB 4.11Å; C105-C110 WeakPolarHBondContact CB-SG 3.48Å; C105-C110 WeakPolarHBondContact SG-CB 3.43Å; C105-C110 CovalentContact SG-SG 2.04Å; C105-C110 PolarHBondContact SG-SG 3.33Å
106	S	95	Very high	94.6	Very high	27 Å²	27	46.1 Å²	46.1	19%	0.189	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	168.4	166.2	67.6	0	0	0	0	109.1	I57 D108 G109	I57-S106 VanDerWaalsContact CD1-O 3.26Å; I57-S106 WeakPolarHBondContact CD1-O 3.43Å; S106-D108 PolarHBondContact O-N 3.28Å; S106-D108 PolarHBondContact OG-N 3.36Å; S106-G109 PolarHBondContact N-O 3.04Å; S106-G109 PolarHBondContact O-N 2.95Å; S106-G109 VanDerWaalsContact O-N 3.11Å; S106-G109 PolarHBondContact OG-N 2.83Å; S106-G109 PolarHBondContact OG-O 2.99Å; S106-G109 VanDerWaalsContact OG-O 3.09Å
107	P	93.5	Very high	94.5	Very high	77 Å²	77	49.5 Å²	49.5	50%	0.5	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-25.3	175	-27.3	36.6	0	0	0	114.1	F53	F53-P107 WeakPolarHBondContact O-CA 3.38Å
108	D	91.9	Very high	93.4	Very high	159 Å²	159	50.1 Å²	50.1	85%	0.85	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-18.7	-177.2	-57.9	-42.7	0	0	0	113.7	S106	S106-D108 PolarHBondContact O-N 3.28Å; S106-D108 PolarHBondContact OG-N 3.36Å
109	G	94.5	Very high	91.6	Very high	20 Å²	20	57 Å²	57	21%	0.206	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.4	171.9	-177.5	0	0	0	0	0	114.4	S106	S106-G109 PolarHBondContact N-O 3.04Å; S106-G109 PolarHBondContact O-N 2.95Å; S106-G109 VanDerWaalsContact O-N 3.11Å; S106-G109 PolarHBondContact OG-N 2.83Å; S106-G109 PolarHBondContact OG-O 2.99Å; S106-G109 VanDerWaalsContact OG-O 3.09Å
110	C	95.9	Very high	89.5	Confident	40 Å²	40	58.6 Å²	58.6	27%	0.27	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.2	178.9	-57.6	0	0	0	0	111.3	L103 C104 C105	L103-C110 HydrophobicContact CD1-CB 4.4Å; L103-C110 HydrophobicContact CD2-CB 3.98Å; L103-C110 HydrophobicContact CG-CB 4.1Å; C104-C110 CarbonylContact O-C 3.59Å; C104-C110 VanDerWaalsContact O-CA 3.23Å; C104-C110 WeakPolarHBondContact O-CA 3.32Å; C105-C110 HydrophobicContact CB-CB 4.11Å; C105-C110 WeakPolarHBondContact CB-SG 3.48Å; C105-C110 WeakPolarHBondContact SG-CB 3.43Å; C105-C110 CovalentContact SG-SG 2.04Å; C105-C110 PolarHBondContact SG-SG 3.33Å
111	H	95.5	Very high	87.5	Confident	91 Å²	91	63 Å²	63	42%	0.421	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	155	174	61.8	-75.6	0	0	0	110	L103 C104 D113	L103-H111 WeakPolarHBondContact CD1-O 3.45Å; C104-H111 PolarHBondContact N-O 2.88Å; C104-H111 PolarHBondContact O-N 3.41Å; C104-H111 PolarHBondContact O-ND1 3.04Å; H111-D113 IonicContact NE2-OD2 3.94Å; H111-D113 PolarHBondContact O-N 3.39Å
112	A	95	Very high	85.4	Confident	85 Å²	85	65.8 Å²	65.8	70%	0.702	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.9	172.7	0	0	0	0	0	109.4	G102	G102-A112 CarbonylContact O-C 3.56Å; G102-A112 VanDerWaalsContact O-CA 3.3Å; G102-A112 WeakPolarHBondContact O-CA 3.26Å
113	D	94.8	Very high	83.2	Confident	25 Å²	25	70.6 Å²	70.6	13%	0.134	43%	0.427	C	S	.	.			trans	-142.5	117.1	-179.9	-170.8	-21.2	0	0	0	109.6	C92 G102 C104 H111 A115 C116	C92-D113 WeakPolarHBondContact CB-OD2 3.29Å; G102-D113 CarbonylContact C-O 3.49Å; G102-D113 PolarHBondContact O-N 3.03Å; C104-D113 HydrophobicContact CB-CB 3.5Å; C104-D113 VanDerWaalsContact CB-CB 3.5Å; H111-D113 IonicContact NE2-OD2 3.94Å; H111-D113 PolarHBondContact O-N 3.39Å; D113-A115 PolarHBondContact O-N 3.32Å; D113-A115 VanDerWaalsContact O-N 3.15Å; D113-A115 WeakPolarHBondContact OD1-CB 3.47Å; D113-A115 PolarHBondContact OD1-N 3.49Å; D113-C116 WeakPolarHBondContact O-CB 3.44Å; D113-C116 PolarHBondContact O-N 3.48Å
114	P	93	Very high	80.8	Confident	97 Å²	97	77.9 Å²	77.9	63%	0.63	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-64.1	-17.2	179	28	-35.8	0	0	0	113.1	C116 D117	P114-C116 PolarHBondContact O-N 3.47Å; P114-C116 VanDerWaalsContact O-N 3.13Å; P114-D117 WeakPolarHBondContact CA-OD2 3.41Å; P114-D117 WeakPolarHBondContact O-CB 3.48Å; P114-D117 PolarHBondContact O-N 3.34Å; P114-D117 VanDerWaalsContact O-N 3.11Å
115	A	91.9	Very high	78.2	Confident	36 Å²	36	92.6 Å²	92.6	30%	0.298	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-60.6	-21.4	171.8	0	0	0	0	0	112.3	K90 D113	K90-A115 WeakPolarHBondContact CE-O 3.36Å; K90-A115 PolarHBondContact NZ-O 3.28Å; D113-A115 PolarHBondContact O-N 3.32Å; D113-A115 VanDerWaalsContact O-N 3.15Å; D113-A115 WeakPolarHBondContact OD1-CB 3.47Å; D113-A115 PolarHBondContact OD1-N 3.49Å
116	C	94.1	Very high	77.2	Confident	8 Å²	8	97.1 Å²	97.1	5%	0.054	54%	0.541	C	S	.	.	G	3₁₀ helix	trans	-92.5	6	178.7	-62.1	0	0	0	0	114.3	C92 C98 G102 D113 P114	C92-C116 VanDerWaalsContact SG-SG 3.67Å; C98-C116 WeakPolarHBondContact CA-SG 3.47Å; C98-C116 HydrophobicContact CB-CB 3.63Å; C98-C116 WeakPolarHBondContact CB-SG 3.28Å; C98-C116 WeakPolarHBondContact SG-CA 3.32Å; C98-C116 WeakPolarHBondContact SG-CB 3.39Å; C98-C116 CovalentContact SG-SG 2.04Å; C98-C116 PolarHBondContact SG-SG 2.94Å; G102-C116 PolarHBondContact N-O 3.47Å; G102-C116 VanDerWaalsContact N-O 3.09Å; D113-C116 WeakPolarHBondContact O-CB 3.44Å; D113-C116 PolarHBondContact O-N 3.48Å; P114-C116 PolarHBondContact O-N 3.47Å; P114-C116 VanDerWaalsContact O-N 3.13Å
117	D	91.5	Very high	76.3	Confident	76 Å²	76	100.8 Å²	100.8	41%	0.406	56%	0.559	S	S	.	*	S	Bend	trans	-74.5	148.6	173.5	-64.8	-33.2	0	0	0	111.3	G102 P114 E119 A120	G102-D117 WeakPolarHBondContact CA-OD1 3.42Å; G102-D117 PolarHBondContact N-OD1 3.04Å; P114-D117 WeakPolarHBondContact CA-OD2 3.41Å; P114-D117 WeakPolarHBondContact O-CB 3.48Å; P114-D117 PolarHBondContact O-N 3.34Å; P114-D117 VanDerWaalsContact O-N 3.11Å; D117-E119 PolarHBondContact O-N 3.04Å; D117-A120 PolarHBondContact O-N 3.47Å; D117-A120 VanDerWaalsContact O-N 3.14Å
118	A	74.3	Confident	75.3	Confident	71 Å²	71	102.1 Å²	102.1	59%	0.587	56%	0.562	S	S	*	*	G	3₁₀ helix	trans	-56.5	-23.9	-174.2	0	0	0	0	0	113.7	L101 A120	L101-A118 HydrophobicContact CD2-CB 3.92Å; A118-A120 PolarHBondContact O-N 3.45Å
119	E	57.9	Low	74.3	Confident	166 Å²	166	98.8 Å²	98.8	78%	0.776	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	-74.3	-18.2	-177.7	-78.6	-91.5	99.4	0	0	114.2	D117 T121	D117-E119 PolarHBondContact O-N 3.04Å; E119-T121 PolarHBondContact O-N 3.41Å; E119-T121 VanDerWaalsContact O-N 3.11Å
120	A	50.7	Low	73.1	Confident	50 Å²	50	103.7 Å²	103.7	41%	0.413	57%	0.567	S	S	.	*	G	3₁₀ helix	trans	-84.8	19.4	-177.1	0	0	0	0	0	113.7	K90 D117 A118	K90-A120 PolarHBondContact NZ-O 3.41Å; K90-A120 VanDerWaalsContact NZ-O 3.13Å; D117-A120 PolarHBondContact O-N 3.47Å; D117-A120 VanDerWaalsContact O-N 3.14Å; A118-A120 PolarHBondContact O-N 3.45Å
121	T	51.7	Low	71.6	Confident	114 Å²	114	107.9 Å²	107.9	70%	0.699	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-101.8	-4.4	174.4	-44.8	0	0	0	0	112.6	E119	E119-T121 PolarHBondContact O-N 3.41Å; E119-T121 VanDerWaalsContact O-N 3.11Å
122	F	48.9	Very low	69.8	Low	180 Å²	180	109.1 Å²	109.1	79%	0.789	60%	0.598	S	S	*	*			trans	-94.2	5.1	179.7	-99.5	-88	0	0	0	116	Q124	F122-Q124 PolarHBondContact O-N 3.25Å
123	S	48.3	Very low	67.9	Low	115 Å²	115	111 Å²	111	80%	0.804	59%	0.59	S	S	*	*			trans	-98.2	51.7	-178.9	-152.9	0	0	0	0	113.5
124	Q	45	Very low	65.7	Low	195 Å²	195	118.2 Å²	118.2	91%	0.911	63%	0.628	S	S	*	*			trans	-146.7	40.3	169.5	-72.1	-163.6	10.7	0	0	113.6	F122	F122-Q124 PolarHBondContact O-N 3.25Å
125	R	40.7	Very low	63.2	Low	310 Å²	310	120.1 Å²	120.1	100%	1.17	63%	0.628	S	S	*	*			trans	-123.6	0	161.4	-95.6	-171.9	-171.7	161.7	4.4	111.1

Retrieved 125 of 125 residues in 204.3 ms (Link to these results)

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