A0A087XRF6_POEFO Loading...

SplA/ryanodine receptor domain and SOCS box containing 4a

AlphaFold DB , UniProt , Accession A0A087XRF6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 278 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.6	Very low	34	Very low	252 Å²	252	149.6 Å²	149.6	100%	1.241	85%	0.853	S	S	*	*				0	99.8	0	-86.9	170.6	-178.6	0	0	108.1
2	G	34.9	Very low	33.7	Very low	82 Å²	82	147.9 Å²	147.9	85%	0.845	85%	0.847	S	S	*	*			trans	-86.6	122.9	178.1	0	0	0	0	0	110.6
3	Q	36.8	Very low	33.3	Very low	191 Å²	191	147.2 Å²	147.2	89%	0.893	84%	0.839	S	S	*	*			trans	-91.6	115.7	166.7	-87	-179.1	-22.7	0	0	108.9
4	K	34.4	Very low	33.5	Very low	210 Å²	210	145.8 Å²	145.8	91%	0.913	83%	0.834	S	S	*	*			trans	-74.2	119.8	169.9	-75.2	178.5	173.3	178.9	0	108.5
5	I	36	Very low	34	Very low	166 Å²	166	151.6 Å²	151.6	85%	0.851	84%	0.837	S	S	*	*			trans	-89.3	104.4	169.7	-51.2	172.5	0	0	0	106.3	G7	I5-G7 PolarHBondContact O-N 2.9Å
6	S	34.3	Very low	34.1	Very low	105 Å²	105	146.6 Å²	146.6	73%	0.734	83%	0.831	S	S	*	*			trans	-77.3	103	173.1	58.7	0	0	0	0	109.3	S8	S6-S8 PolarHBondContact O-N 2.95Å
7	G	32.3	Very low	33.9	Very low	73 Å²	73	148.9 Å²	148.9	75%	0.753	83%	0.834	S	S	*	*			trans	-73.8	102.5	168.5	0	0	0	0	0	110.5	I5	I5-G7 PolarHBondContact O-N 2.9Å
8	S	28.3	Very low	34.1	Very low	105 Å²	105	147.3 Å²	147.3	73%	0.734	83%	0.83	S	S	*	*			trans	-98.6	93.5	168.1	-63.6	0	0	0	0	108.8	S6 K10	S6-S8 PolarHBondContact O-N 2.95Å; S8-K10 PolarHBondContact O-N 3.15Å; S8-K10 VanDerWaalsContact O-N 3.17Å
9	I	33.6	Very low	34.1	Very low	161 Å²	161	144.5 Å²	144.5	83%	0.826	82%	0.821	S	S	*	*			trans	-67.5	106	166.8	-65.6	168.8	0	0	0	106.7	S11	I9-S11 PolarHBondContact O-N 2.74Å
10	K	31.1	Very low	34.5	Very low	193 Å²	193	145.8 Å²	145.8	84%	0.839	81%	0.814	S	S	*	*			trans	-74.9	102.4	166.6	-76.5	-175.5	175.6	-178.4	0	107.6	S8 V12	S8-K10 PolarHBondContact O-N 3.15Å; S8-K10 VanDerWaalsContact O-N 3.17Å; K10-V12 PolarHBondContact O-N 3.28Å
11	S	29.9	Very low	34.9	Very low	108 Å²	108	148.9 Å²	148.9	76%	0.755	81%	0.813	S	S	*	*			trans	-55.4	115.4	164.7	48.8	0	0	0	0	108.9	I9 D13	I9-S11 PolarHBondContact O-N 2.74Å; S11-D13 PolarHBondContact O-N 3.26Å
12	V	30.2	Very low	35.1	Very low	129 Å²	129	141.4 Å²	141.4	78%	0.782	78%	0.783	S	S	*	*			trans	-71.7	110.3	169.5	179.3	0	0	0	0	106.5	K10 V14	K10-V12 PolarHBondContact O-N 3.28Å; V12-V14 HydrophobicContact CG1-CG2 4.49Å; V12-V14 PolarHBondContact O-N 3.15Å
13	D	28.2	Very low	35.9	Very low	139 Å²	139	138.5 Å²	138.5	74%	0.743	75%	0.749	S	S	*	*			trans	-69.5	95.8	175.2	-157	-6.2	0	0	0	108.3	S11 R15	S11-D13 PolarHBondContact O-N 3.26Å; D13-R15 PolarHBondContact O-N 2.79Å
14	V	36.5	Very low	36.7	Very low	127 Å²	127	139.4 Å²	139.4	77%	0.77	74%	0.744	S	S	*	*			trans	-77.2	76.9	171.4	-178.3	0	0	0	0	107.1	V12	V12-V14 HydrophobicContact CG1-CG2 4.49Å; V12-V14 PolarHBondContact O-N 3.15Å
15	R	40.9	Very low	38.1	Very low	233 Å²	233	135.2 Å²	135.2	88%	0.879	72%	0.723	S	S	*	*			trans	-162.1	89.1	167.9	-114.1	178.7	-108.3	-134.2	3.1	110.9	D13	D13-R15 PolarHBondContact O-N 2.79Å
16	G	35.3	Very low	39.3	Very low	72 Å²	72	134.5 Å²	134.5	74%	0.742	72%	0.716	S	S	*	*			trans	-167.9	45.6	174.6	0	0	0	0	0	110.9
17	E	31.7	Very low	40.8	Very low	186 Å²	186	131.2 Å²	131.2	87%	0.869	69%	0.69	S	S	*	*			trans	-62.1	125.3	161.5	-71.7	-165.5	153.8	0	0	107.2	S19	E17-S19 PolarHBondContact O-N 2.72Å; E17-S19 VanDerWaalsContact O-N 3.1Å
18	P	36.4	Very low	42	Very low	119 Å²	119	137.6 Å²	137.6	77%	0.773	69%	0.691	S	S	*	*			trans	-58	123	174.6	23.3	-30.7	0	0	0	107.2	Y20	P18-Y20 PolarHBondContact O-N 3.47Å
19	S	34.2	Very low	43.6	Very low	95 Å²	95	134 Å²	134	66%	0.664	67%	0.671	S	S	*	*			trans	-54.9	109.8	-178.9	63.9	0	0	0	0	108.7	E17 R21	E17-S19 PolarHBondContact O-N 2.72Å; E17-S19 VanDerWaalsContact O-N 3.1Å; S19-R21 VanDerWaalsContact C-N 3.29Å; S19-R21 PolarHBondContact O-N 3.38Å
20	Y	41.6	Very low	44.9	Very low	169 Å²	169	131.9 Å²	131.9	66%	0.663	67%	0.667	S	S	*	*			trans	-66.7	93.9	171.8	-169	-93.4	0	0	0	107	P18 P22	P18-Y20 PolarHBondContact O-N 3.47Å; Y20-P22 WeakPolarHBondContact O-CD 3.44Å
21	R	43.8	Very low	46.9	Very low	211 Å²	211	127.8 Å²	127.8	80%	0.796	66%	0.655	S	S	*	*			trans	-82.4	115.8	169.4	-76.3	-168.6	176.6	-172.3	-0.1	107	S19 V23	S19-R21 VanDerWaalsContact C-N 3.29Å; S19-R21 PolarHBondContact O-N 3.38Å; R21-V23 PolarHBondContact O-N 2.88Å
22	P	45.7	Very low	49.3	Very low	96 Å²	96	124.5 Å²	124.5	62%	0.623	63%	0.627	S	S	*	*			trans	-59.2	137.9	173.9	19.2	-24.6	0	0	0	109.4	Y20 R24	Y20-P22 WeakPolarHBondContact O-CD 3.44Å; P22-R24 PolarHBondContact O-N 3.31Å
23	V	52.5	Low	51.8	Low	21 Å²	21	122.4 Å²	122.4	13%	0.127	62%	0.617	C	S	.	*	S	Bend	trans	-59.5	-8.7	-170.6	166.8	0	0	0	0	114.5	R21 R25 F176 Q200	R21-V23 PolarHBondContact O-N 2.88Å; V23-R25 PolarHBondContact O-N 2.77Å; V23-F176 HydrophobicContact CB-CE2 4.44Å; V23-F176 HydrophobicContact CG1-CE2 3.69Å; V23-F176 HydrophobicContact CG1-CZ 3.87Å; V23-F176 HydrophobicContact CG2-CE2 3.97Å; V23-F176 HydrophobicContact CG2-CZ 4.23Å; V23-Q200 PolarHBondContact O-OE1 3.28Å
24	R	53.6	Low	54.6	Low	210 Å²	210	119 Å²	119	79%	0.792	59%	0.594	S	S	*	*			trans	-70.8	67.4	-176.1	-73.1	-171.4	171.1	-166.4	0.2	113.2	P22	P22-R24 PolarHBondContact O-N 3.31Å
25	R	63.6	Low	57	Low	121 Å²	121	115.2 Å²	115.2	46%	0.457	57%	0.572	S	S	.	*			trans	-77.5	127.9	157.3	-166.2	170	179.6	-179.9	-7.7	106.6	V23 L27 E174 Q200	V23-R25 PolarHBondContact O-N 2.77Å; R25-L27 HydrophobicContact CB-CD2 4.36Å; R25-L27 HydrophobicContact CG-CD2 4.27Å; R25-L27 PolarHBondContact O-N 2.96Å; R25-E174 IonicContact NH1-OE1 3.91Å; R25-E174 PolarHBondContact NH1-OE1 3.29Å; R25-E174 IonicContact NH1-OE2 3.01Å; R25-E174 PolarHBondContact NH1-OE2 2.86Å; R25-Q200 PolarHBondContact O-NE2 3.34Å
26	E	60.8	Low	59.2	Low	152 Å²	152	108.3 Å²	108.3	71%	0.71	56%	0.558	S	S	*	*			trans	-65.8	89.3	168.9	-75.4	-172.1	-176.2	0	0	108.7	R28	E26-R28 PolarHBondContact O-N 3.4Å; E26-R28 IonicContact OE2-CZ 2.84Å; E26-R28 IonicContact OE2-NE 3.82Å; E26-R28 IonicContact OE2-NH2 2.78Å; E26-R28 PolarHBondContact OE2-NH2 3.43Å
27	L	67.8	Low	61.8	Low	36 Å²	36	108 Å²	108	19%	0.188	53%	0.534	C	S	.	.			trans	-71.8	113.3	173	-60.3	176.3	0	0	0	108.1	R25 F32 F169 Q200	R25-L27 HydrophobicContact CB-CD2 4.36Å; R25-L27 HydrophobicContact CG-CD2 4.27Å; R25-L27 PolarHBondContact O-N 2.96Å; L27-F32 HydrophobicContact CB-CB 3.79Å; L27-F32 HydrophobicContact CB-CD2 4.15Å; L27-F32 HydrophobicContact CB-CG 3.92Å; L27-F32 HydrophobicContact CD1-CB 4.26Å; L27-F32 HydrophobicContact CD1-CD1 3.96Å; L27-F32 HydrophobicContact CD1-CG 4.1Å; L27-F169 HydrophobicContact CD1-CD1 3.5Å; L27-F169 VanDerWaalsContact CD1-CD1 3.5Å; L27-F169 HydrophobicContact CD1-CE1 3.16Å; L27-F169 HydrophobicContact CD1-CG 4.4Å; L27-F169 HydrophobicContact CD1-CZ 3.86Å; L27-F169 HydrophobicContact CD2-CB 4.04Å; L27-F169 HydrophobicContact CD2-CD1 3.42Å; L27-F169 VanDerWaalsContact CD2-CD1 3.42Å; L27-F169 HydrophobicContact CD2-CD2 3.77Å; L27-F169 HydrophobicContact CD2-CE1 3.7Å; L27-F169 HydrophobicContact CD2-CE2 4.04Å; L27-F169 HydrophobicContact CD2-CG 3.45Å; L27-F169 VanDerWaalsContact CD2-CG 3.45Å; L27-F169 HydrophobicContact CD2-CZ 4Å; L27-F169 HydrophobicContact CG-CD1 4.09Å; L27-F169 HydrophobicContact CG-CE1 4.04Å; L27-F169 HydrophobicContact CG-CZ 4.48Å; L27-Q200 HydrophobicContact CD1-CG 4.15Å
28	R	56.7	Low	64.7	Low	206 Å²	206	99.2 Å²	99.2	78%	0.777	49%	0.493	S	S	*	.			trans	-104.4	124	175.5	-63.3	-169.9	-178.1	-142.7	-0.4	108.6	E26	E26-R28 PolarHBondContact O-N 3.4Å; E26-R28 IonicContact OE2-CZ 2.84Å; E26-R28 IonicContact OE2-NE 3.82Å; E26-R28 IonicContact OE2-NH2 2.78Å; E26-R28 PolarHBondContact OE2-NH2 3.43Å
29	G	60.9	Low	67.3	Low	30 Å²	30	95.4 Å²	95.4	31%	0.309	47%	0.466	S	S	.	.	S	Bend	trans	154.9	148.5	177.8	0	0	0	0	0	111.1	D31 F32 C33	G29-D31 PolarHBondContact O-N 3.35Å; G29-F32 PolarHBondContact O-N 2.87Å; G29-F32 VanDerWaalsContact O-N 3.14Å; G29-C33 PolarHBondContact O-N 3.09Å
30	P	61.2	Low	69.8	Low	116 Å²	116	91.2 Å²	91.2	75%	0.753	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-59.6	-30.8	-177.2	24.7	-33.6	0	0	0	112.6	F32 C33	P30-F32 VanDerWaalsContact C-N 3.28Å; P30-F32 PolarHBondContact O-N 3.24Å; P30-C33 PolarHBondContact O-N 3.08Å
31	D	73.9	Confident	72.3	Confident	108 Å²	108	83.1 Å²	83.1	58%	0.578	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-72.1	-18.2	-178.7	-62.4	-43.7	0	0	0	114.1	G29 G203	G29-D31 PolarHBondContact O-N 3.35Å; D31-G203 VanDerWaalsContact O-CA 3.26Å; D31-G203 WeakPolarHBondContact O-CA 3.33Å
32	F	79.6	Confident	74.5	Confident	38 Å²	38	75.3 Å²	75.3	17%	0.167	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-104.9	-2.3	-179.6	-53.2	-66	0	0	0	112.8	L27 G29 P30 F169	L27-F32 HydrophobicContact CB-CB 3.79Å; L27-F32 HydrophobicContact CB-CD2 4.15Å; L27-F32 HydrophobicContact CB-CG 3.92Å; L27-F32 HydrophobicContact CD1-CB 4.26Å; L27-F32 HydrophobicContact CD1-CD1 3.96Å; L27-F32 HydrophobicContact CD1-CG 4.1Å; G29-F32 PolarHBondContact O-N 2.87Å; G29-F32 VanDerWaalsContact O-N 3.14Å; P30-F32 VanDerWaalsContact C-N 3.28Å; P30-F32 PolarHBondContact O-N 3.24Å; F32-F169 HydrophobicContact CD1-CD1 4.28Å; F32-F169 AromaticContact CE1-CD1 3.72Å; F32-F169 HydrophobicContact CE1-CD1 3.72Å; F32-F169 HydrophobicContact CE1-CE1 4.5Å; F32-F169 HydrophobicContact CZ-CB 4.12Å; F32-F169 HydrophobicContact CZ-CD1 4.05Å
33	C	82.2	Confident	76.5	Confident	86 Å²	86	73.1 Å²	73.1	58%	0.581	36%	0.361	S	S	*	.	S	Bend	trans	-72.3	132.6	171	-71.2	0	0	0	0	109.9	G29 P30	G29-C33 PolarHBondContact O-N 3.09Å; P30-C33 PolarHBondContact O-N 3.08Å
34	R	87.1	Confident	78.2	Confident	66 Å²	66	75.1 Å²	75.1	25%	0.249	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-65.6	131.1	176.7	-157.3	177.6	-53.6	145.7	-14	109.8	L38 D39 G199 Y201	R34-L38 HydrophobicContact CG-CB 4.07Å; R34-L38 HydrophobicContact CG-CD2 3.51Å; R34-L38 HydrophobicContact CG-CG 3.84Å; R34-D39 WeakPolarHBondContact CD-OD1 3.39Å; R34-D39 IonicContact CZ-OD1 2.79Å; R34-D39 IonicContact NE-OD1 3.25Å; R34-D39 IonicContact NH1-OD1 3.62Å; R34-D39 PolarHBondContact NH1-OD1 3.14Å; R34-G199 PolarHBondContact NH2-O 2.84Å; R34-Y201 HydrophobicContact CG-CG 4.46Å
35	P	88.6	Confident	80	Confident	49 Å²	49	68.1 Å²	68.1	32%	0.318	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-60.1	140.9	175.2	-25.3	34.2	0	0	0	111.7	R37 L38 D39	P35-R37 VanDerWaalsContact C-N 3.28Å; P35-R37 PolarHBondContact O-N 2.94Å; P35-L38 HydrophobicContact CB-CB 4.33Å; P35-L38 WeakPolarHBondContact O-CA 3.43Å; P35-L38 WeakPolarHBondContact O-CB 2.99Å; P35-L38 PolarHBondContact O-N 2.91Å; P35-D39 PolarHBondContact O-N 2.86Å; P35-D39 VanDerWaalsContact O-N 3.09Å
36	P	87.2	Confident	81.3	Confident	88 Å²	88	67 Å²	67	57%	0.571	36%	0.36	S	S	*	.	H	α-helix	trans	-57.1	-35.6	-178.5	-28.2	35	0	0	0	114.6	L38 D39 L40	P36-L38 VanDerWaalsContact C-N 3.31Å; P36-L38 PolarHBondContact O-N 3.2Å; P36-D39 PolarHBondContact O-N 3.16Å; P36-L40 PolarHBondContact O-N 3.29Å; P36-L40 VanDerWaalsContact O-N 3.07Å
37	R	89.4	Confident	82.9	Confident	64 Å²	64	60.3 Å²	60.3	24%	0.242	33%	0.331	C	S	.	.	H	α-helix	trans	-63.1	-37.8	174.7	-70	-177.9	74.7	-163.1	6.7	111.7	P35 L40 L41 L98 D187 D189 L235 D236	P35-R37 VanDerWaalsContact C-N 3.28Å; P35-R37 PolarHBondContact O-N 2.94Å; R37-L40 PolarHBondContact O-N 3.42Å; R37-L41 WeakPolarHBondContact O-CB 3.18Å; R37-L41 PolarHBondContact O-N 3.16Å; R37-L98 HydrophobicContact CB-CD2 3.98Å; R37-D187 IonicContact NH1-OD2 2.99Å; R37-D189 IonicContact CZ-OD2 3.26Å; R37-D189 VanDerWaalsContact CZ-OD2 3.32Å; R37-D189 IonicContact NH1-OD2 3.96Å; R37-D189 PolarHBondContact NH1-OD2 3.17Å; R37-D189 IonicContact NH2-OD2 3.55Å; R37-D189 PolarHBondContact NH2-OD2 3.33Å; R37-L235 HydrophobicContact CB-CD1 4.49Å; R37-L235 VanDerWaalsContact O-CD1 3.31Å; R37-L235 WeakPolarHBondContact O-CD1 3.19Å; R37-D236 PolarHBondContact NH2-O 3.28Å
38	L	92.8	Very high	84.4	Confident	2 Å²	2	62.8 Å²	62.8	1%	0.01	35%	0.347	C	S	.	.	H	α-helix	trans	-70.5	-40.3	177.6	179.4	60.6	0	0	0	111.6	R34 P35 P36 L40 L41 L42 L98 V100 I185 M196 Y201	R34-L38 HydrophobicContact CG-CB 4.07Å; R34-L38 HydrophobicContact CG-CD2 3.51Å; R34-L38 HydrophobicContact CG-CG 3.84Å; P35-L38 HydrophobicContact CB-CB 4.33Å; P35-L38 WeakPolarHBondContact O-CA 3.43Å; P35-L38 WeakPolarHBondContact O-CB 2.99Å; P35-L38 PolarHBondContact O-N 2.91Å; P36-L38 VanDerWaalsContact C-N 3.31Å; P36-L38 PolarHBondContact O-N 3.2Å; L38-L40 VanDerWaalsContact C-N 3.34Å; L38-L40 PolarHBondContact O-N 2.98Å; L38-L41 PolarHBondContact O-N 2.99Å; L38-L42 HydrophobicContact CD1-CD1 3.93Å; L38-L42 HydrophobicContact CD1-CG 4.05Å; L38-L42 HydrophobicContact CG-CD1 3.95Å; L38-L42 HydrophobicContact CG-CG 4.48Å; L38-L42 WeakPolarHBondContact O-CB 3.44Å; L38-L42 VanDerWaalsContact O-CG 3.22Å; L38-L42 WeakPolarHBondContact O-CG 3.48Å; L38-L42 PolarHBondContact O-N 2.93Å; L38-L42 VanDerWaalsContact O-N 3.08Å; L38-L98 HydrophobicContact CB-CD2 4.22Å; L38-L98 HydrophobicContact CD1-CD2 4.48Å; L38-V100 HydrophobicContact CD1-CG2 3.55Å; L38-I185 HydrophobicContact CD1-CG1 3.89Å; L38-I185 HydrophobicContact CD1-CG2 3.93Å; L38-I185 HydrophobicContact CD2-CD1 4.35Å; L38-I185 HydrophobicContact CD2-CG1 3.86Å; L38-I185 HydrophobicContact CD2-CG2 4.1Å; L38-M196 HydrophobicContact CD2-CE 3.84Å; L38-M196 HydrophobicContact CG-CE 4.41Å; L38-Y201 HydrophobicContact CD2-CD2 4.04Å; L38-Y201 HydrophobicContact CD2-CE2 4.14Å
39	D	89.6	Confident	86.3	Confident	40 Å²	40	56.3 Å²	56.3	21%	0.214	34%	0.338	C	S	.	.	H	α-helix	trans	-58.1	-47.8	172.5	-82.4	-32.2	0	0	0	111.6	R34 P35 P36 L41 L42 D43 R248	R34-D39 WeakPolarHBondContact CD-OD1 3.39Å; R34-D39 IonicContact CZ-OD1 2.79Å; R34-D39 IonicContact NE-OD1 3.25Å; R34-D39 IonicContact NH1-OD1 3.62Å; R34-D39 PolarHBondContact NH1-OD1 3.14Å; P35-D39 PolarHBondContact O-N 2.86Å; P35-D39 VanDerWaalsContact O-N 3.09Å; P36-D39 PolarHBondContact O-N 3.16Å; D39-L41 PolarHBondContact O-N 2.93Å; D39-L42 PolarHBondContact O-N 3.31Å; D39-D43 PolarHBondContact O-N 2.67Å; D39-R248 IonicContact OD2-NH2 3.52Å
40	L	87.9	Confident	88.1	Confident	6 Å²	6	59.2 Å²	59.2	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-59.6	-48	178.4	178.8	71.3	0	0	0	111.9	P36 R37 L38 L42 D43 M44 L235 L240 R248	P36-L40 PolarHBondContact O-N 3.29Å; P36-L40 VanDerWaalsContact O-N 3.07Å; R37-L40 PolarHBondContact O-N 3.42Å; L38-L40 VanDerWaalsContact C-N 3.34Å; L38-L40 PolarHBondContact O-N 2.98Å; L40-L42 PolarHBondContact O-N 3.49Å; L40-D43 PolarHBondContact O-N 3.01Å; L40-D43 VanDerWaalsContact O-N 3.12Å; L40-M44 WeakPolarHBondContact O-CG 3.21Å; L40-M44 PolarHBondContact O-N 2.91Å; L40-L235 HydrophobicContact CD2-CD1 4.28Å; L40-L240 HydrophobicContact CD2-CD1 3.08Å; L40-L240 HydrophobicContact CD2-CD2 3.53Å; L40-L240 HydrophobicContact CD2-CG 3.82Å; L40-R248 HydrophobicContact CD1-CB 3.89Å; L40-R248 HydrophobicContact CD1-CG 4.23Å
41	L	92.4	Very high	89.9	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-56.3	-41.2	179.6	-173.8	159.2	0	0	0	111.4	R37 L38 D39 M44 L98 V100 V232 N233 L235	R37-L41 WeakPolarHBondContact O-CB 3.18Å; R37-L41 PolarHBondContact O-N 3.16Å; L38-L41 PolarHBondContact O-N 2.99Å; D39-L41 PolarHBondContact O-N 2.93Å; L41-M44 WeakPolarHBondContact O-CB 3.39Å; L41-M44 PolarHBondContact O-N 3.36Å; L41-L98 HydrophobicContact CB-CD2 4.39Å; L41-L98 HydrophobicContact CD1-CB 4.33Å; L41-L98 HydrophobicContact CD1-CD2 3.74Å; L41-L98 HydrophobicContact CD1-CG 3.73Å; L41-V100 HydrophobicContact CD1-CG2 3.83Å; L41-V100 HydrophobicContact CD2-CB 3.76Å; L41-V100 HydrophobicContact CD2-CG2 3.59Å; L41-V100 HydrophobicContact CG-CG2 4.38Å; L41-V232 HydrophobicContact CD2-CG1 4.44Å; L41-N233 HydrophobicContact CD2-CB 3.56Å; L41-N233 HydrophobicContact CG-CB 3.85Å; L41-L235 HydrophobicContact CB-CD1 3.74Å; L41-L235 HydrophobicContact CB-CG 3.97Å; L41-L235 HydrophobicContact CD1-CB 4.39Å; L41-L235 HydrophobicContact CD1-CD1 4.39Å; L41-L235 HydrophobicContact CD1-CG 3.98Å; L41-L235 HydrophobicContact CG-CD1 4.44Å; L41-L235 HydrophobicContact CG-CG 4.14Å
42	L	91.6	Very high	91	Very high	47 Å²	47	51.6 Å²	51.6	25%	0.246	30%	0.299	C	S	.	.	H	α-helix	trans	-76.3	-21.6	-179.1	-66.7	173.2	0	0	0	113.8	L38 D39 L40 V100 M196 V232	L38-L42 HydrophobicContact CD1-CD1 3.93Å; L38-L42 HydrophobicContact CD1-CG 4.05Å; L38-L42 HydrophobicContact CG-CD1 3.95Å; L38-L42 HydrophobicContact CG-CG 4.48Å; L38-L42 WeakPolarHBondContact O-CB 3.44Å; L38-L42 VanDerWaalsContact O-CG 3.22Å; L38-L42 WeakPolarHBondContact O-CG 3.48Å; L38-L42 PolarHBondContact O-N 2.93Å; L38-L42 VanDerWaalsContact O-N 3.08Å; D39-L42 PolarHBondContact O-N 3.31Å; L40-L42 PolarHBondContact O-N 3.49Å; L42-V100 HydrophobicContact CD2-CG1 4.24Å; L42-M196 HydrophobicContact CD1-CE 3.62Å; L42-M196 HydrophobicContact CD1-SD 4.34Å; L42-V232 HydrophobicContact CD2-CG1 4.18Å
43	D	87.8	Confident	91.9	Very high	49 Å²	49	53.3 Å²	53.3	26%	0.262	31%	0.31	S	S	.	.	H	α-helix	trans	-82	-16.5	174.1	-76.4	-20.9	0	0	0	112.8	D39 L40 Y277	D39-D43 PolarHBondContact O-N 2.67Å; L40-D43 PolarHBondContact O-N 3.01Å; L40-D43 VanDerWaalsContact O-N 3.12Å; D43-Y277 PolarHBondContact O-OH 3.4Å
44	M	88.4	Confident	92.7	Very high	63 Å²	63	55.5 Å²	55.5	31%	0.31	31%	0.306	S	S	.	.	S	Bend	trans	-69	151.2	174.3	-67.7	170.3	69.2	0	0	111.5	L40 L41 L235	L40-M44 WeakPolarHBondContact O-CG 3.21Å; L40-M44 PolarHBondContact O-N 2.91Å; L41-M44 WeakPolarHBondContact O-CB 3.39Å; L41-M44 PolarHBondContact O-N 3.36Å; M44-L235 HydrophobicContact CE-CD2 4.39Å; M44-L235 HydrophobicContact SD-CD2 3.64Å
45	P	89.9	Confident	93.3	Very high	63 Å²	63	53.7 Å²	53.7	41%	0.409	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-52.4	138.4	169.6	-25.2	33.9	0	0	0	110.9	N233 Y277	P45-N233 PolarHBondContact O-ND2 3.23Å; P45-Y277 VanDerWaalsContact CD-CD1 3.45Å; P45-Y277 HydrophobicContact CG-CD1 3.66Å; P45-Y277 HydrophobicContact CG-CD2 4.13Å; P45-Y277 HydrophobicContact CG-CE1 4.28Å; P45-Y277 HydrophobicContact CG-CG 3.57Å
46	P	90.7	Very high	93.8	Very high	99 Å²	99	51.4 Å²	51.4	64%	0.643	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-62.4	149.5	-178	26.9	-34.6	0	0	0	111.4
47	A	96.2	Very high	94.3	Very high	10 Å²	10	47.3 Å²	47.3	8%	0.083	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-52.3	140.7	175.3	0	0	0	0	0	111.7	T51 Q52 Y231 V232 N233	A47-T51 HydrophobicContact CB-CG2 3.9Å; A47-Q52 HydrophobicContact CB-CG 4.44Å; A47-Q52 PolarHBondContact O-NE2 3.4Å; A47-Y231 HydrophobicContact CB-CD1 3.91Å; A47-Y231 HydrophobicContact CB-CE1 4.46Å; A47-V232 VanDerWaalsContact CB-O 3.23Å; A47-V232 WeakPolarHBondContact CB-O 3.47Å; A47-V232 PolarHBondContact N-O 3.46Å; A47-N233 PolarHBondContact N-OD1 2.93Å
48	T	97.8	Very high	94.8	Very high	88 Å²	88	45.9 Å²	45.9	54%	0.54	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-61.1	158.5	178.7	61.5	0	0	0	0	111.9	D50 T51 Q52	T48-D50 VanDerWaalsContact C-N 3.29Å; T48-D50 PolarHBondContact O-N 3.29Å; T48-T51 WeakPolarHBondContact O-CA 3.43Å; T48-T51 WeakPolarHBondContact O-CB 3.38Å; T48-T51 PolarHBondContact O-N 2.73Å; T48-T51 PolarHBondContact OG1-N 3.44Å; T48-T51 PolarHBondContact OG1-OG1 2.99Å; T48-Q52 WeakPolarHBondContact O-CG 3.23Å; T48-Q52 PolarHBondContact O-N 2.95Å
49	A	97.6	Very high	95	Very high	70 Å²	70	48.4 Å²	48.4	58%	0.579	27%	0.273	S	S	*	.	H	α-helix	trans	-56.1	-42.1	178.7	0	0	0	0	0	112.8	T51 Q52 L53	A49-T51 VanDerWaalsContact C-N 3.34Å; A49-T51 PolarHBondContact O-N 3.45Å; A49-Q52 WeakPolarHBondContact O-CB 3.46Å; A49-Q52 PolarHBondContact O-N 3.45Å; A49-L53 WeakPolarHBondContact O-CG 3.46Å; A49-L53 PolarHBondContact O-N 2.95Å
50	D	98.1	Very high	95.5	Very high	92 Å²	92	53.3 Å²	53.3	49%	0.492	30%	0.3	S	S	.	.	H	α-helix	trans	-59	-44.1	174.2	177	66.5	0	0	0	112	T48 Q52 L53 R54	T48-D50 VanDerWaalsContact C-N 3.29Å; T48-D50 PolarHBondContact O-N 3.29Å; D50-Q52 PolarHBondContact O-N 3.02Å; D50-L53 PolarHBondContact O-N 2.83Å; D50-R54 PolarHBondContact O-N 3.28Å; D50-R54 IonicContact OD2-CZ 3.57Å; D50-R54 VanDerWaalsContact OD2-CZ 3.26Å; D50-R54 IonicContact OD2-NH1 3.89Å; D50-R54 PolarHBondContact OD2-NH1 2.84Å; D50-R54 IonicContact OD2-NH2 3.68Å
51	T	98.1	Very high	96	Very high	25 Å²	25	54.7 Å²	54.7	15%	0.153	31%	0.307	C	S	.	.	H	α-helix	trans	-63.2	-43.6	175	-56.4	0	0	0	0	111.2	A47 T48 A49 L53 R54 H55 Y231	A47-T51 HydrophobicContact CB-CG2 3.9Å; T48-T51 WeakPolarHBondContact O-CA 3.43Å; T48-T51 WeakPolarHBondContact O-CB 3.38Å; T48-T51 PolarHBondContact O-N 2.73Å; T48-T51 PolarHBondContact OG1-N 3.44Å; T48-T51 PolarHBondContact OG1-OG1 2.99Å; A49-T51 VanDerWaalsContact C-N 3.34Å; A49-T51 PolarHBondContact O-N 3.45Å; T51-L53 VanDerWaalsContact C-N 3.28Å; T51-L53 PolarHBondContact O-N 2.99Å; T51-R54 WeakPolarHBondContact O-CB 3.37Å; T51-R54 PolarHBondContact O-N 3.37Å; T51-R54 PolarHBondContact OG1-NH2 3.43Å; T51-H55 PolarHBondContact O-CD2 3.34Å; T51-H55 PolarHBondContact O-N 3.3Å; T51-Y231 HydrophobicContact CG2-CD1 4.05Å; T51-Y231 HydrophobicContact CG2-CE1 4.24Å
52	Q	98.6	Very high	96.3	Very high	39 Å²	39	58.6 Å²	58.6	18%	0.182	32%	0.321	C	S	.	.	H	α-helix	trans	-58.2	-41.4	176.2	-66.9	176.8	25.8	0	0	111.7	A47 T48 A49 D50 H55 A56 L74 Y231	A47-Q52 HydrophobicContact CB-CG 4.44Å; A47-Q52 PolarHBondContact O-NE2 3.4Å; T48-Q52 WeakPolarHBondContact O-CG 3.23Å; T48-Q52 PolarHBondContact O-N 2.95Å; A49-Q52 WeakPolarHBondContact O-CB 3.46Å; A49-Q52 PolarHBondContact O-N 3.45Å; D50-Q52 PolarHBondContact O-N 3.02Å; Q52-H55 CarbonylContact O-C 3.38Å; Q52-H55 PolarHBondContact O-N 2.66Å; Q52-A56 PolarHBondContact O-N 3.28Å; Q52-L74 HydrophobicContact CB-CD2 4.33Å; Q52-Y231 WeakPolarHBondContact CG-O 3.41Å
53	L	98.6	Very high	96.6	Very high	74 Å²	74	56.6 Å²	56.6	39%	0.387	31%	0.312	S	S	.	.	H	α-helix	trans	-67.6	-33.5	177.6	-71.4	170.4	0	0	0	113.7	A49 D50 T51 H55 A56 K73 L74 K91	A49-L53 WeakPolarHBondContact O-CG 3.46Å; A49-L53 PolarHBondContact O-N 2.95Å; D50-L53 PolarHBondContact O-N 2.83Å; T51-L53 VanDerWaalsContact C-N 3.28Å; T51-L53 PolarHBondContact O-N 2.99Å; L53-H55 VanDerWaalsContact C-N 3.29Å; L53-A56 WeakPolarHBondContact O-CB 3.42Å; L53-A56 PolarHBondContact O-N 2.77Å; L53-K73 HydrophobicContact CD2-CB 3.66Å; L53-L74 HydrophobicContact CD2-CD2 3.91Å; L53-L74 HydrophobicContact CD2-CG 4.35Å; L53-K91 PolarHBondContact O-NZ 3.45Å
54	R	98.6	Very high	97.1	Very high	132 Å²	132	61.3 Å²	61.3	50%	0.498	34%	0.336	S	S	.	.	H	α-helix	trans	-64.3	-34.4	171.8	-73.5	-165.9	-68.2	-108.5	-5.3	112.4	D50 T51 K91 V92	D50-R54 PolarHBondContact O-N 3.28Å; D50-R54 IonicContact OD2-CZ 3.57Å; D50-R54 VanDerWaalsContact OD2-CZ 3.26Å; D50-R54 IonicContact OD2-NH1 3.89Å; D50-R54 PolarHBondContact OD2-NH1 2.84Å; D50-R54 IonicContact OD2-NH2 3.68Å; T51-R54 WeakPolarHBondContact O-CB 3.37Å; T51-R54 PolarHBondContact O-N 3.37Å; T51-R54 PolarHBondContact OG1-NH2 3.43Å; R54-K91 WeakPolarHBondContact O-CB 3.41Å; R54-V92 WeakPolarHBondContact O-CG2 3.34Å
55	H	98.8	Very high	97.6	Very high	28 Å²	28	60.1 Å²	60.1	13%	0.13	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	7.4	179.9	-69.5	-80.6	0	0	0	113.8	T51 Q52 L53 V92 Y94 Y231	T51-H55 PolarHBondContact O-CD2 3.34Å; T51-H55 PolarHBondContact O-N 3.3Å; Q52-H55 CarbonylContact O-C 3.38Å; Q52-H55 PolarHBondContact O-N 2.66Å; L53-H55 VanDerWaalsContact C-N 3.29Å; H55-V92 WeakPolarHBondContact ND1-CG2 3.4Å; H55-Y94 AromaticContact CE1-CE1 3.65Å; H55-Y94 AromaticContact ND1-CE1 3.64Å; H55-Y94 AromaticContact ND1-CZ 3.58Å; H55-Y94 PolarHBondContact ND1-OH 3.28Å; H55-Y231 HydrophobicContact CB-CD1 4.4Å; H55-Y231 HydrophobicContact CB-CD2 3.94Å; H55-Y231 HydrophobicContact CB-CG 3.73Å; H55-Y231 AromaticContact CD2-CD1 3.63Å; H55-Y231 AromaticContact CD2-CE1 3.82Å; H55-Y231 AromaticContact CD2-CG 3.83Å; H55-Y231 AromaticContact CG-CD2 3.84Å; H55-Y231 AromaticContact CG-CG 3.73Å; H55-Y231 AromaticContact NE2-CE1 3.85Å; H55-Y231 AromaticContact NE2-CZ 4Å
56	A	98.8	Very high	98	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	-69.3	-179.7	-178.6	0	0	0	0	0	112.9	Q52 L53 L74 G90 K91	Q52-A56 PolarHBondContact O-N 3.28Å; L53-A56 WeakPolarHBondContact O-CB 3.42Å; L53-A56 PolarHBondContact O-N 2.77Å; A56-L74 HydrophobicContact CB-CD2 3.67Å; A56-G90 CarbonylContact O-C 3.53Å; A56-G90 WeakPolarHBondContact O-CA 3.46Å; A56-K91 WeakPolarHBondContact O-CG 3.14Å; A56-K91 PolarHBondContact O-N 3.28Å
57	W	98.9	Very high	98.4	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.008	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	143.7	169.8	-62	128.6	0	0	0	112.2	V68 L74 F76 I88 K91 I103 P216 V218 V227 I229	W57-V68 HydrophobicContact CB-CG2 3.9Å; W57-L74 VanDerWaalsContact CD1-O 3.26Å; W57-L74 PolarHBondContact NE1-O 3.08Å; W57-F76 AromaticContact CD1-CD1 3.77Å; W57-F76 HydrophobicContact CD2-CD1 4.2Å; W57-F76 AromaticContact CE2-CD1 3.82Å; W57-F76 HydrophobicContact CG-CD1 4.18Å; W57-F76 HydrophobicContact CZ2-CD1 4.42Å; W57-F76 HydrophobicContact CZ2-CE1 4.24Å; W57-F76 AromaticContact NE1-CD1 3.51Å; W57-I88 HydrophobicContact CB-CD1 3.78Å; W57-I88 HydrophobicContact CB-CG1 4.16Å; W57-I88 HydrophobicContact CD2-CG2 4.15Å; W57-I88 HydrophobicContact CE3-CG1 4.35Å; W57-I88 HydrophobicContact CE3-CG2 4.05Å; W57-I88 HydrophobicContact CG-CD1 4.37Å; W57-I88 HydrophobicContact CZ3-CG2 4.48Å; W57-K91 VanDerWaalsContact O-CE 3.27Å; W57-K91 WeakPolarHBondContact O-CE 3.29Å; W57-I103 HydrophobicContact CH2-CD1 3.93Å; W57-I103 HydrophobicContact CZ2-CD1 3.81Å; W57-P216 HydrophobicContact CZ3-CB 4.38Å; W57-V218 HydrophobicContact CH2-CG1 3.93Å; W57-V218 HydrophobicContact CH2-CG2 4.3Å; W57-V218 HydrophobicContact CZ2-CG1 4.34Å; W57-V218 HydrophobicContact CZ2-CG2 4.44Å; W57-V227 HydrophobicContact CZ2-CG1 4.44Å; W57-V227 PolarHBondContact NE1-O 3.06Å; W57-I229 HydrophobicContact CD2-CB 4.21Å; W57-I229 HydrophobicContact CD2-CG2 3.67Å; W57-I229 VanDerWaalsContact CE2-CG2 3.49Å; W57-I229 HydrophobicContact CE3-CD1 4.49Å; W57-I229 HydrophobicContact CE3-CG2 4.37Å; W57-I229 HydrophobicContact CG-CG2 3.77Å; W57-I229 HydrophobicContact CH2-CB 4.23Å; W57-I229 HydrophobicContact CH2-CD1 3.98Å; W57-I229 HydrophobicContact CZ2-CB 3.63Å; W57-I229 HydrophobicContact CZ2-CD1 4.27Å; W57-I229 HydrophobicContact CZ2-CG1 4.45Å; W57-I229 HydrophobicContact CZ2-CG2 4.06Å; W57-I229 HydrophobicContact CZ3-CD1 4.11Å
58	N	98.8	Very high	98.6	Very high	34 Å²	34	56.3 Å²	56.3	18%	0.182	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.2	178.9	-169.2	-5	0	0	0	110.7	D60 D61 I88 R89 K91	N58-D60 PolarHBondContact O-N 3.2Å; N58-D60 PolarHBondContact OD1-N 3.24Å; N58-D61 HydrophobicContact CB-CB 3.93Å; N58-D61 WeakPolarHBondContact ND2-CB 3.4Å; N58-D61 PolarHBondContact O-N 2.99Å; N58-I88 WeakPolarHBondContact O-CD1 3.44Å; N58-R89 WeakPolarHBondContact CB-O 3.48Å; N58-R89 PolarHBondContact N-O 3.2Å; N58-K91 HydrophobicContact CB-CB 4.49Å; N58-K91 HydrophobicContact CB-CG 3.74Å
59	S	98.5	Very high	98.6	Very high	55 Å²	55	53.9 Å²	53.9	39%	0.385	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	-20.1	177.4	52.4	0	0	0	0	113.5	R62	S59-R62 VanDerWaalsContact O-CD 3.29Å; S59-R62 WeakPolarHBondContact O-CD 3.47Å; S59-R62 PolarHBondContact O-NE 3.1Å
60	D	98.6	Very high	98.6	Very high	144 Å²	144	58.7 Å²	58.7	77%	0.77	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	-4.7	-173.2	-51.5	-21.9	0	0	0	111.8	N58	N58-D60 PolarHBondContact O-N 3.2Å; N58-D60 PolarHBondContact OD1-N 3.24Å
61	D	98.8	Very high	98.5	Very high	35 Å²	35	60.8 Å²	60.8	19%	0.187	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	72.9	-176.4	-169.9	22.3	0	0	0	111	N58 R89 L125	N58-D61 HydrophobicContact CB-CB 3.93Å; N58-D61 WeakPolarHBondContact ND2-CB 3.4Å; N58-D61 PolarHBondContact O-N 2.99Å; D61-R89 PolarHBondContact O-N 3.02Å; D61-R89 VanDerWaalsContact O-N 3.11Å; D61-R89 IonicContact OD1-CZ 3.42Å; D61-R89 IonicContact OD1-NE 3.29Å; D61-R89 PolarHBondContact OD1-NE 2.96Å; D61-R89 IonicContact OD1-NH2 3.86Å; D61-R89 PolarHBondContact OD1-NH2 2.66Å; D61-R89 WeakPolarHBondContact OD2-CB 3.47Å; D61-R89 IonicContact OD2-CZ 2.79Å; D61-R89 IonicContact OD2-NE 3.99Å; D61-R89 PolarHBondContact OD2-NE 3.45Å; D61-R89 IonicContact OD2-NH2 3.2Å; D61-R89 PolarHBondContact OD2-NH2 3.27Å; D61-L125 VanDerWaalsContact C-CD1 3.47Å; D61-L125 VanDerWaalsContact OD1-CD1 3.31Å; D61-L125 WeakPolarHBondContact OD1-CD1 3.31Å
62	R	98.8	Very high	98.5	Very high	81 Å²	81	61.8 Å²	61.8	31%	0.306	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	162.2	-168.8	62.8	173.7	178.4	81	3.9	112.6	S59 V66 I88	S59-R62 VanDerWaalsContact O-CD 3.29Å; S59-R62 WeakPolarHBondContact O-CD 3.47Å; S59-R62 PolarHBondContact O-NE 3.1Å; R62-V66 HydrophobicContact CB-CG2 3.8Å; R62-V66 VanDerWaalsContact CD-O 3.27Å; R62-V66 WeakPolarHBondContact CD-O 3.45Å; R62-V66 HydrophobicContact CG-CG2 4.42Å; R62-V66 VanDerWaalsContact CZ-O 3.32Å; R62-V66 PolarHBondContact NH1-O 3.04Å; R62-I88 HydrophobicContact CB-CB 3.96Å; R62-I88 HydrophobicContact CB-CD1 3.75Å; R62-I88 HydrophobicContact CB-CG1 3.73Å
63	S	98.8	Very high	98.5	Very high	6 Å²	6	64.8 Å²	64.8	4%	0.042	32%	0.318	C	S	.	.			trans	-59.7	147.3	158.2	175.3	0	0	0	0	110.6	N65 V66 D86 C87 L125	S63-N65 PolarHBondContact O-N 2.84Å; S63-N65 PolarHBondContact OG-N 2.87Å; S63-N65 VanDerWaalsContact OG-N 3.16Å; S63-V66 VanDerWaalsContact O-CG2 3.29Å; S63-V66 WeakPolarHBondContact O-CG2 3.36Å; S63-V66 PolarHBondContact O-N 2.79Å; S63-D86 PolarHBondContact OG-OD1 3.03Å; S63-C87 PolarHBondContact N-O 3.3Å; S63-L125 WeakPolarHBondContact CB-O 3.25Å
64	L	98.6	Very high	98.6	Very high	148 Å²	148	62.1 Å²	62.1	78%	0.775	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.5	173.3	-65.3	176.8	0	0	0	112.8	V66	L64-V66 VanDerWaalsContact C-N 3.32Å; L64-V66 PolarHBondContact O-N 2.89Å
65	N	98.8	Very high	98.6	Very high	37 Å²	37	56 Å²	56	20%	0.198	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	1.4	-179.1	-58.3	-40.1	0	0	0	114	S63 H79 V81 S84 D86	S63-N65 PolarHBondContact O-N 2.84Å; S63-N65 PolarHBondContact OG-N 2.87Å; S63-N65 VanDerWaalsContact OG-N 3.16Å; N65-H79 WeakPolarHBondContact O-CB 3.37Å; N65-H79 PolarHBondContact O-N 3Å; N65-V81 HydrophobicContact CB-CG2 4.09Å; N65-S84 PolarHBondContact ND2-OG 3.43Å; N65-D86 HydrophobicContact CB-CB 4.47Å; N65-D86 WeakPolarHBondContact CB-OD1 3.46Å; N65-D86 PolarHBondContact ND2-OD1 2.91Å
66	V	98.8	Very high	98.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	151.2	174.4	-60.4	0	0	0	0	109.4	R62 S63 L64 F76 H77 R78 D86 I88	R62-V66 HydrophobicContact CB-CG2 3.8Å; R62-V66 VanDerWaalsContact CD-O 3.27Å; R62-V66 WeakPolarHBondContact CD-O 3.45Å; R62-V66 HydrophobicContact CG-CG2 4.42Å; R62-V66 VanDerWaalsContact CZ-O 3.32Å; R62-V66 PolarHBondContact NH1-O 3.04Å; S63-V66 VanDerWaalsContact O-CG2 3.29Å; S63-V66 WeakPolarHBondContact O-CG2 3.36Å; S63-V66 PolarHBondContact O-N 2.79Å; L64-V66 VanDerWaalsContact C-N 3.32Å; L64-V66 PolarHBondContact O-N 2.89Å; V66-F76 HydrophobicContact CB-CD2 3.93Å; V66-F76 HydrophobicContact CB-CE2 4.42Å; V66-F76 HydrophobicContact CG1-CD2 4.01Å; V66-F76 HydrophobicContact CG1-CE2 3.99Å; V66-H77 CarbonylContact C-O 3.57Å; V66-H77 VanDerWaalsContact CA-O 3.27Å; V66-H77 WeakPolarHBondContact CA-O 3.23Å; V66-R78 HydrophobicContact CG1-CB 3.89Å; V66-R78 HydrophobicContact CG1-CG 3.85Å; V66-D86 HydrophobicContact CG1-CB 3.82Å; V66-I88 HydrophobicContact CG2-CB 4.16Å; V66-I88 HydrophobicContact CG2-CD1 4.47Å
67	F	98.8	Very high	98.6	Very high	73 Å²	73	56 Å²	56	32%	0.32	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	147.3	173.3	63.2	-87.7	0	0	0	110.5	F76 H77 H79	F67-F76 CarbonylContact O-C 3.35Å; F67-F76 WeakPolarHBondContact O-CA 3.44Å; F67-F76 WeakPolarHBondContact O-CB 3.41Å; F67-H77 HydrophobicContact CD1-CB 4.43Å; F67-H77 HydrophobicContact CD2-CB 4.5Å; F67-H77 HydrophobicContact CE1-CB 3.86Å; F67-H77 AromaticContact CE1-CD2 3.56Å; F67-H77 AromaticContact CE1-CG 3.98Å; F67-H77 HydrophobicContact CE2-CB 3.93Å; F67-H77 HydrophobicContact CZ-CB 3.59Å; F67-H77 AromaticContact CZ-CD2 3.72Å; F67-H77 AromaticContact CZ-CG 3.77Å; F67-H77 PolarHBondContact N-O 3.47Å; F67-H77 PolarHBondContact O-N 3.28Å; F67-H79 AromaticContact CD1-CE1 3.69Å; F67-H79 AromaticContact CD1-NE2 3.46Å; F67-H79 WeakPolarHBondContact CD1-NE2 3.34Å; F67-H79 AromaticContact CE1-CE1 3.42Å; F67-H79 VanDerWaalsContact CE1-CE1 3.42Å; F67-H79 WeakPolarHBondContact CE1-CE1 3.4Å; F67-H79 AromaticContact CE1-ND1 3.95Å; F67-H79 AromaticContact CE1-NE2 3.71Å
68	V	98.8	Very high	98.6	Very high	20 Å²	20	55.9 Å²	55.9	12%	0.121	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	130.1	172.6	-179.5	0	0	0	0	108.4	W57 K73 I88	W57-V68 HydrophobicContact CB-CG2 3.9Å; V68-K73 HydrophobicContact CG1-CD 4.36Å; V68-K73 WeakPolarHBondContact CG1-O 3.47Å; V68-I88 HydrophobicContact CG2-CD1 3.83Å
69	K	98.7	Very high	98.6	Very high	36 Å²	36	58.2 Å²	58.2	16%	0.157	29%	0.291	C	S	.	.			trans	-64.5	149.9	-176.7	-61.8	178.9	68.5	177.8	0	111.3	D71 D72 K73 T75 H77 E226	K69-D71 WeakPolarHBondContact CB-OD1 3.34Å; K69-D71 WeakPolarHBondContact CE-OD1 3.18Å; K69-D71 IonicContact NZ-OD2 3.71Å; K69-D72 CarbonylContact O-C 3.6Å; K69-K73 WeakPolarHBondContact O-CD 3.44Å; K69-T75 HydrophobicContact CD-CG2 3.79Å; K69-T75 PolarHBondContact N-O 3.42Å; K69-H77 HydrophobicContact CG-CB 4.24Å; K69-E226 WeakPolarHBondContact CE-OE1 3.46Å; K69-E226 IonicContact NZ-OE1 2.74Å; K69-E226 PolarHBondContact NZ-OE1 2.74Å; K69-E226 IonicContact NZ-OE2 2.84Å; K69-E226 PolarHBondContact NZ-OE2 3.44Å
70	E	97.1	Very high	98.6	Very high	172 Å²	172	59.3 Å²	59.3	80%	0.804	30%	0.296	S	S	*	.	S	Bend	trans	-77.9	-39.5	-179.4	-69.7	-172.8	173.2	0	0	112.9	K73	E70-K73 VanDerWaalsContact O-CE 3.29Å; E70-K73 WeakPolarHBondContact O-CE 3.46Å
71	D	97.4	Very high	98.6	Very high	135 Å²	135	54.9 Å²	54.9	72%	0.722	27%	0.274	S	S	*	.	S	Bend	trans	-77.9	-25.3	178.3	60.9	-37.2	0	0	0	113.2	K69	K69-D71 WeakPolarHBondContact CB-OD1 3.34Å; K69-D71 WeakPolarHBondContact CE-OD1 3.18Å; K69-D71 IonicContact NZ-OD2 3.71Å
72	D	98.3	Very high	98.5	Very high	46 Å²	46	56.7 Å²	56.7	25%	0.246	29%	0.294	C	S	.	.			trans	-137.1	93.7	176	-177.9	8.8	0	0	0	112.1	K69 L74 T75	K69-D72 CarbonylContact O-C 3.6Å; D72-L74 PolarHBondContact O-N 3.03Å; D72-L74 VanDerWaalsContact O-N 3.08Å; D72-L74 WeakPolarHBondContact OD1-CB 3.41Å; D72-L74 PolarHBondContact OD1-N 3.22Å; D72-T75 PolarHBondContact O-N 3.29Å; D72-T75 VanDerWaalsContact OD2-CB 3.28Å; D72-T75 WeakPolarHBondContact OD2-CB 3.47Å; D72-T75 PolarHBondContact OD2-OG1 3.12Å
73	K	98.4	Very high	98.4	Very high	103 Å²	103	58.2 Å²	58.2	45%	0.448	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-6.5	-179.1	-60.2	-66.8	173.4	-171.7	0	114.3	L53 V68 K69 E70	L53-K73 HydrophobicContact CD2-CB 3.66Å; V68-K73 HydrophobicContact CG1-CD 4.36Å; V68-K73 WeakPolarHBondContact CG1-O 3.47Å; K69-K73 WeakPolarHBondContact O-CD 3.44Å; E70-K73 VanDerWaalsContact O-CE 3.29Å; E70-K73 WeakPolarHBondContact O-CE 3.46Å
74	L	98.8	Very high	98.4	Very high	18 Å²	18	58 Å²	58	9%	0.094	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-7.8	174.7	-58.7	-178.2	0	0	0	112.5	Q52 L53 A56 W57 D72 S228 I229 R230	Q52-L74 HydrophobicContact CB-CD2 4.33Å; L53-L74 HydrophobicContact CD2-CD2 3.91Å; L53-L74 HydrophobicContact CD2-CG 4.35Å; A56-L74 HydrophobicContact CB-CD2 3.67Å; W57-L74 VanDerWaalsContact CD1-O 3.26Å; W57-L74 PolarHBondContact NE1-O 3.08Å; D72-L74 PolarHBondContact O-N 3.03Å; D72-L74 VanDerWaalsContact O-N 3.08Å; D72-L74 WeakPolarHBondContact OD1-CB 3.41Å; D72-L74 PolarHBondContact OD1-N 3.22Å; L74-S228 CarbonylContact O-C 3.55Å; L74-S228 VanDerWaalsContact O-CA 3.31Å; L74-S228 WeakPolarHBondContact O-CA 3.39Å; L74-I229 WeakPolarHBondContact CB-O 3.36Å; L74-I229 PolarHBondContact O-N 2.82Å; L74-R230 HydrophobicContact CD1-CG 4.1Å
75	T	98.9	Very high	98.5	Very high	2 Å²	2	51 Å²	51	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.3	-172.7	-60.4	0	0	0	0	110.6	K69 D72 E226 V227 S228	K69-T75 HydrophobicContact CD-CG2 3.79Å; K69-T75 PolarHBondContact N-O 3.42Å; D72-T75 PolarHBondContact O-N 3.29Å; D72-T75 VanDerWaalsContact OD2-CB 3.28Å; D72-T75 WeakPolarHBondContact OD2-CB 3.47Å; D72-T75 PolarHBondContact OD2-OG1 3.12Å; T75-E226 HydrophobicContact CG2-CB 3.81Å; T75-V227 WeakPolarHBondContact CA-O 3.28Å; T75-S228 VanDerWaalsContact OG1-CB 3.23Å; T75-S228 WeakPolarHBondContact OG1-CB 3.37Å; T75-S228 PolarHBondContact OG1-OG 3.49Å
76	F	98.9	Very high	98.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	154.5	165.7	78.9	-97.7	0	0	0	110.8	W57 V66 F67 R78 I88 V218 E226 V227	W57-F76 AromaticContact CD1-CD1 3.77Å; W57-F76 HydrophobicContact CD2-CD1 4.2Å; W57-F76 AromaticContact CE2-CD1 3.82Å; W57-F76 HydrophobicContact CG-CD1 4.18Å; W57-F76 HydrophobicContact CZ2-CD1 4.42Å; W57-F76 HydrophobicContact CZ2-CE1 4.24Å; W57-F76 AromaticContact NE1-CD1 3.51Å; V66-F76 HydrophobicContact CB-CD2 3.93Å; V66-F76 HydrophobicContact CB-CE2 4.42Å; V66-F76 HydrophobicContact CG1-CD2 4.01Å; V66-F76 HydrophobicContact CG1-CE2 3.99Å; F67-F76 CarbonylContact O-C 3.35Å; F67-F76 WeakPolarHBondContact O-CA 3.44Å; F67-F76 WeakPolarHBondContact O-CB 3.41Å; F76-R78 HydrophobicContact CE2-CB 4.44Å; F76-I88 HydrophobicContact CB-CD1 4.25Å; F76-I88 HydrophobicContact CD1-CG2 3.36Å; F76-I88 HydrophobicContact CD2-CG2 4.43Å; F76-I88 HydrophobicContact CE1-CG2 3.39Å; F76-I88 HydrophobicContact CE2-CG2 4.5Å; F76-I88 HydrophobicContact CG-CG2 3.9Å; F76-I88 HydrophobicContact CZ-CG2 4.02Å; F76-V218 HydrophobicContact CE1-CG2 3.44Å; F76-V218 VanDerWaalsContact CE1-CG2 3.44Å; F76-V218 HydrophobicContact CZ-CG2 3.58Å; F76-E226 VanDerWaalsContact O-CA 3.25Å; F76-E226 WeakPolarHBondContact O-CA 3.32Å; F76-V227 HydrophobicContact CD1-CB 4.09Å; F76-V227 HydrophobicContact CE1-CB 3.47Å; F76-V227 VanDerWaalsContact CE1-CB 3.47Å; F76-V227 HydrophobicContact CE1-CG1 4.11Å; F76-V227 HydrophobicContact CE1-CG2 4.01Å; F76-V227 HydrophobicContact CE2-CB 4.48Å; F76-V227 HydrophobicContact CE2-CG2 4.31Å; F76-V227 HydrophobicContact CZ-CB 3.68Å; F76-V227 HydrophobicContact CZ-CG2 3.66Å; F76-V227 PolarHBondContact N-O 2.96Å; F76-V227 VanDerWaalsContact N-O 3.17Å; F76-V227 PolarHBondContact O-N 3.22Å; F76-V227 VanDerWaalsContact O-N 3.11Å
77	H	98.9	Very high	98.5	Very high	28 Å²	28	49.3 Å²	49.3	13%	0.13	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.1	171.5	-175.1	103	0	0	0	109.5	V66 F67 K69 H224 C225 E226	V66-H77 CarbonylContact C-O 3.57Å; V66-H77 VanDerWaalsContact CA-O 3.27Å; V66-H77 WeakPolarHBondContact CA-O 3.23Å; F67-H77 HydrophobicContact CD1-CB 4.43Å; F67-H77 HydrophobicContact CD2-CB 4.5Å; F67-H77 HydrophobicContact CE1-CB 3.86Å; F67-H77 AromaticContact CE1-CD2 3.56Å; F67-H77 AromaticContact CE1-CG 3.98Å; F67-H77 HydrophobicContact CE2-CB 3.93Å; F67-H77 HydrophobicContact CZ-CB 3.59Å; F67-H77 AromaticContact CZ-CD2 3.72Å; F67-H77 AromaticContact CZ-CG 3.77Å; F67-H77 PolarHBondContact N-O 3.47Å; F67-H77 PolarHBondContact O-N 3.28Å; K69-H77 HydrophobicContact CG-CB 4.24Å; H77-H224 AromaticContact CE1-ND1 3.73Å; H77-H224 AromaticContact NE2-CG 3.97Å; H77-H224 AromaticContact NE2-ND1 3.23Å; H77-H224 PolarHBondContact NE2-ND1 2.81Å; H77-C225 WeakPolarHBondContact CA-O 3.37Å; H77-E226 HydrophobicContact CB-CG 4.24Å; H77-E226 IonicContact CE1-OE1 3.99Å; H77-E226 IonicContact CG-OE1 2.91Å; H77-E226 WeakPolarHBondContact ND1-CG 3.49Å; H77-E226 IonicContact ND1-OE1 2.66Å; H77-E226 PolarHBondContact ND1-OE1 3.49Å
78	R	98.9	Very high	98.5	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.1	175.6	-176.3	175	171.5	-75.9	-7.5	111.6	V66 F76 V81 S84 D86 A220 V221 W222 H224 C225	V66-R78 HydrophobicContact CG1-CB 3.89Å; V66-R78 HydrophobicContact CG1-CG 3.85Å; F76-R78 HydrophobicContact CE2-CB 4.44Å; R78-V81 PolarHBondContact NH2-O 3.25Å; R78-S84 PolarHBondContact NH2-O 2.88Å; R78-D86 IonicContact CZ-OD2 3.42Å; R78-D86 VanDerWaalsContact CZ-OD2 3.29Å; R78-D86 IonicContact NE-OD2 3.93Å; R78-D86 PolarHBondContact NE-OD2 3.47Å; R78-D86 IonicContact NH2-OD2 2.83Å; R78-D86 PolarHBondContact NH2-OD2 2.9Å; R78-A220 PolarHBondContact NE-O 2.67Å; R78-V221 VanDerWaalsContact NH1-C 3.31Å; R78-V221 PolarHBondContact NH1-O 3.24Å; R78-W222 WeakPolarHBondContact CD-O 3.14Å; R78-W222 PolarHBondContact NH1-O 3.11Å; R78-H224 VanDerWaalsContact O-CA 3.26Å; R78-H224 WeakPolarHBondContact O-CA 3.45Å; R78-H224 PolarHBondContact O-N 3.44Å; R78-C225 VanDerWaalsContact CB-SG 3.54Å; R78-C225 PolarHBondContact N-O 2.79Å
79	H	98.7	Very high	98.5	Very high	83 Å²	83	45.5 Å²	45.5	38%	0.384	24%	0.239	S	C	.	.			trans	-61.9	148.4	171.3	-69.9	-59.2	0	0	0	111.6	N65 F67 V81	N65-H79 WeakPolarHBondContact O-CB 3.37Å; N65-H79 PolarHBondContact O-N 3Å; F67-H79 AromaticContact CD1-CE1 3.69Å; F67-H79 AromaticContact CD1-NE2 3.46Å; F67-H79 WeakPolarHBondContact CD1-NE2 3.34Å; F67-H79 AromaticContact CE1-CE1 3.42Å; F67-H79 VanDerWaalsContact CE1-CE1 3.42Å; F67-H79 WeakPolarHBondContact CE1-CE1 3.4Å; F67-H79 AromaticContact CE1-ND1 3.95Å; F67-H79 AromaticContact CE1-NE2 3.71Å; H79-V81 HydrophobicContact CB-CG2 3.97Å; H79-V81 PolarHBondContact O-N 2.79Å
80	P	98.3	Very high	98.5	Very high	77 Å²	77	43.8 Å²	43.8	50%	0.5	23%	0.231	S	C	.	.			trans	-77.3	60.7	-177.9	35.7	-39.4	0	0	0	112.3	H224	P80-H224 WeakPolarHBondContact CG-NE2 3.35Å
81	V	98.4	Very high	98.6	Very high	52 Å²	52	40 Å²	40	32%	0.315	21%	0.212	S	C	.	.			trans	-87.1	121	179.4	-173.3	0	0	0	0	109.4	N65 R78 H79	N65-V81 HydrophobicContact CB-CG2 4.09Å; R78-V81 PolarHBondContact NH2-O 3.25Å; H79-V81 HydrophobicContact CB-CG2 3.97Å; H79-V81 PolarHBondContact O-N 2.79Å
82	A	97.4	Very high	98.6	Very high	72 Å²	72	35.8 Å²	35.8	60%	0.595	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	150.7	178	0	0	0	0	0	111.4	S84	A82-S84 PolarHBondContact O-N 2.56Å
83	Q	97.9	Very high	98.7	Very high	114 Å²	114	34 Å²	34	53%	0.533	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	44.9	178.6	-61.4	-62.4	-33.4	0	0	112.4	G129 Y130	Q83-G129 PolarHBondContact O-N 2.79Å; Q83-Y130 VanDerWaalsContact N-CE1 3.32Å; Q83-Y130 VanDerWaalsContact N-CZ 3.3Å; Q83-Y130 PolarHBondContact N-OH 2.81Å
84	S	98.7	Very high	98.7	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	137.6	-179.7	-179.3	0	0	0	0	110	N65 R78 A82 D86 H126 G129	N65-S84 PolarHBondContact ND2-OG 3.43Å; R78-S84 PolarHBondContact NH2-O 2.88Å; A82-S84 PolarHBondContact O-N 2.56Å; S84-D86 PolarHBondContact OG-OD1 2.78Å; S84-D86 PolarHBondContact OG-OD2 3.36Å; S84-H126 PolarHBondContact OG-CE1 3.5Å; S84-H126 PolarHBondContact OG-ND1 3.26Å; S84-G129 CarbonylContact C-O 3.32Å
85	T	98.8	Very high	98.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.1	167.3	-55.6	0	0	0	0	108.2	H126 S127 G129 Y130 T131 L133 V221	T85-H126 WeakPolarHBondContact O-CA 3.37Å; T85-H126 PolarHBondContact O-ND1 3.38Å; T85-S127 PolarHBondContact N-O 2.9Å; T85-S127 PolarHBondContact O-N 3.05Å; T85-G129 PolarHBondContact N-O 3.05Å; T85-G129 PolarHBondContact OG1-O 2.85Å; T85-Y130 WeakPolarHBondContact OG1-CA 3.45Å; T85-T131 WeakPolarHBondContact CG2-O 3.46Å; T85-T131 PolarHBondContact OG1-N 3.13Å; T85-L133 HydrophobicContact CG2-CB 3.56Å; T85-L133 HydrophobicContact CG2-CD2 4.18Å; T85-V221 HydrophobicContact CG2-CG1 4.01Å; T85-V221 WeakPolarHBondContact OG1-CG1 3.37Å
86	D	98.9	Very high	98.5	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	133.9	-167.5	-59.3	-74.4	0	0	0	111	S63 N65 V66 R78 S84 H126 S219 A220	S63-D86 PolarHBondContact OG-OD1 3.03Å; N65-D86 HydrophobicContact CB-CB 4.47Å; N65-D86 WeakPolarHBondContact CB-OD1 3.46Å; N65-D86 PolarHBondContact ND2-OD1 2.91Å; V66-D86 HydrophobicContact CG1-CB 3.82Å; R78-D86 IonicContact CZ-OD2 3.42Å; R78-D86 VanDerWaalsContact CZ-OD2 3.29Å; R78-D86 IonicContact NE-OD2 3.93Å; R78-D86 PolarHBondContact NE-OD2 3.47Å; R78-D86 IonicContact NH2-OD2 2.83Å; R78-D86 PolarHBondContact NH2-OD2 2.9Å; S84-D86 PolarHBondContact OG-OD1 2.78Å; S84-D86 PolarHBondContact OG-OD2 3.36Å; D86-H126 IonicContact OD1-CE1 3.38Å; D86-H126 IonicContact OD1-ND1 2.72Å; D86-H126 PolarHBondContact OD1-ND1 2.88Å; D86-S219 WeakPolarHBondContact O-CA 3.29Å; D86-A220 PolarHBondContact N-O 3.31Å; D86-A220 PolarHBondContact O-N 3.48Å
87	C	98.9	Very high	98.4	Very high	1 Å²	1	37 Å²	37	1%	0.007	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	165.7	-179.9	-52.1	0	0	0	0	112.2	S63 L125 L133 I217 V218 S219	S63-C87 PolarHBondContact N-O 3.3Å; C87-L125 HydrophobicContact CB-CB 4.07Å; C87-L125 HydrophobicContact CB-CD2 3.67Å; C87-L125 HydrophobicContact CB-CG 4.49Å; C87-L125 WeakPolarHBondContact CB-O 3.23Å; C87-L125 PolarHBondContact N-O 2.89Å; C87-L133 VanDerWaalsContact SG-CD2 3.51Å; C87-I217 HydrophobicContact CB-CD1 4.1Å; C87-I217 HydrophobicContact CB-CG1 4.17Å; C87-V218 WeakPolarHBondContact CA-O 3.27Å; C87-V218 WeakPolarHBondContact CB-O 3.46Å; C87-S219 WeakPolarHBondContact SG-CB 3.4Å
88	I	98.9	Very high	98.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	140.2	167.9	179.5	160	0	0	0	109	W57 N58 R62 V66 V68 F76 V218	W57-I88 HydrophobicContact CB-CD1 3.78Å; W57-I88 HydrophobicContact CB-CG1 4.16Å; W57-I88 HydrophobicContact CD2-CG2 4.15Å; W57-I88 HydrophobicContact CE3-CG1 4.35Å; W57-I88 HydrophobicContact CE3-CG2 4.05Å; W57-I88 HydrophobicContact CG-CD1 4.37Å; W57-I88 HydrophobicContact CZ3-CG2 4.48Å; N58-I88 WeakPolarHBondContact O-CD1 3.44Å; R62-I88 HydrophobicContact CB-CB 3.96Å; R62-I88 HydrophobicContact CB-CD1 3.75Å; R62-I88 HydrophobicContact CB-CG1 3.73Å; V66-I88 HydrophobicContact CG2-CB 4.16Å; V66-I88 HydrophobicContact CG2-CD1 4.47Å; V68-I88 HydrophobicContact CG2-CD1 3.83Å; F76-I88 HydrophobicContact CB-CD1 4.25Å; F76-I88 HydrophobicContact CD1-CG2 3.36Å; F76-I88 HydrophobicContact CD2-CG2 4.43Å; F76-I88 HydrophobicContact CE1-CG2 3.39Å; F76-I88 HydrophobicContact CE2-CG2 4.5Å; F76-I88 HydrophobicContact CG-CG2 3.9Å; F76-I88 HydrophobicContact CZ-CG2 4.02Å; I88-V218 HydrophobicContact CG2-CG2 4.34Å
89	R	98.9	Very high	98.3	Very high	13 Å²	13	36.8 Å²	36.8	5%	0.049	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	153.2	174.9	-82.5	-175.9	-71.1	-109.1	-2.8	111.8	N58 D61 T120 A121 A123 L125 P216 I217	N58-R89 WeakPolarHBondContact CB-O 3.48Å; N58-R89 PolarHBondContact N-O 3.2Å; D61-R89 PolarHBondContact O-N 3.02Å; D61-R89 VanDerWaalsContact O-N 3.11Å; D61-R89 IonicContact OD1-CZ 3.42Å; D61-R89 IonicContact OD1-NE 3.29Å; D61-R89 PolarHBondContact OD1-NE 2.96Å; D61-R89 IonicContact OD1-NH2 3.86Å; D61-R89 PolarHBondContact OD1-NH2 2.66Å; D61-R89 WeakPolarHBondContact OD2-CB 3.47Å; D61-R89 IonicContact OD2-CZ 2.79Å; D61-R89 IonicContact OD2-NE 3.99Å; D61-R89 PolarHBondContact OD2-NE 3.45Å; D61-R89 IonicContact OD2-NH2 3.2Å; D61-R89 PolarHBondContact OD2-NH2 3.27Å; R89-T120 PolarHBondContact NH1-O 2.89Å; R89-A121 VanDerWaalsContact CZ-O 3.25Å; R89-A121 PolarHBondContact NH1-O 2.91Å; R89-A121 VanDerWaalsContact NH1-O 3.11Å; R89-A121 PolarHBondContact NH2-O 3.26Å; R89-A123 PolarHBondContact NH1-O 3.38Å; R89-L125 HydrophobicContact CG-CD2 4.15Å; R89-P216 CarbonylContact C-O 3.58Å; R89-P216 VanDerWaalsContact CA-O 3.28Å; R89-P216 WeakPolarHBondContact CA-O 3.35Å; R89-I217 HydrophobicContact CG-CB 4.18Å; R89-I217 HydrophobicContact CG-CD1 3.91Å; R89-I217 HydrophobicContact CG-CG1 4.05Å
90	G	98.9	Very high	98.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	157.6	165.3	0	0	0	0	0	111.2	A56 V92 Y215 P216	A56-G90 CarbonylContact O-C 3.53Å; A56-G90 WeakPolarHBondContact O-CA 3.46Å; G90-V92 VanDerWaalsContact C-N 3.34Å; G90-V92 PolarHBondContact O-N 3.17Å; G90-Y215 WeakPolarHBondContact O-CD1 3.47Å; G90-P216 PolarHBondContact N-O 3.46Å
91	K	98.8	Very high	98.3	Very high	93 Å²	93	29.3 Å²	29.3	40%	0.404	16%	0.156	S	C	.	.	S	Bend	trans	-66.7	-31.8	-178.7	-71.5	172	-178.2	173.3	0	114.1	L53 R54 A56 W57 N58	L53-K91 PolarHBondContact O-NZ 3.45Å; R54-K91 WeakPolarHBondContact O-CB 3.41Å; A56-K91 WeakPolarHBondContact O-CG 3.14Å; A56-K91 PolarHBondContact O-N 3.28Å; W57-K91 VanDerWaalsContact O-CE 3.27Å; W57-K91 WeakPolarHBondContact O-CE 3.29Å; N58-K91 HydrophobicContact CB-CB 4.49Å; N58-K91 HydrophobicContact CB-CG 3.74Å
92	V	98.8	Very high	98.3	Very high	46 Å²	46	33.4 Å²	33.4	28%	0.279	17%	0.165	S	C	.	.			trans	-104.3	124.4	-173	-179.8	0	0	0	0	110.4	R54 H55 G90 Y94 Y215	R54-V92 WeakPolarHBondContact O-CG2 3.34Å; H55-V92 WeakPolarHBondContact ND1-CG2 3.4Å; G90-V92 VanDerWaalsContact C-N 3.34Å; G90-V92 PolarHBondContact O-N 3.17Å; V92-Y94 HydrophobicContact CB-CE1 4.28Å; V92-Y94 HydrophobicContact CG1-CD1 3.91Å; V92-Y94 HydrophobicContact CG1-CE1 3.68Å; V92-Y215 VanDerWaalsContact C-CD1 3.46Å
93	G	98.6	Very high	98.4	Very high	8 Å²	8	30 Å²	30	8%	0.082	14%	0.137	C	C	.	.			trans	-96.5	116.1	170.4	0	0	0	0	0	110.4	R213 L214 Y215	G93-R213 PolarHBondContact O-NH1 3.4Å; G93-L214 CarbonylContact C-O 3.59Å; G93-L214 WeakPolarHBondContact CA-O 3.28Å; G93-Y215 VanDerWaalsContact N-CD1 3.28Å
94	Y	98.5	Very high	98.5	Very high	9 Å²	9	28 Å²	28	4%	0.035	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-85.6	139.3	-175.8	-52.9	-74	0	0	0	111.5	H55 V92 H99 W101 L186 R213 L214 P216 Y231	H55-Y94 AromaticContact CE1-CE1 3.65Å; H55-Y94 AromaticContact ND1-CE1 3.64Å; H55-Y94 AromaticContact ND1-CZ 3.58Å; H55-Y94 PolarHBondContact ND1-OH 3.28Å; V92-Y94 HydrophobicContact CB-CE1 4.28Å; V92-Y94 HydrophobicContact CG1-CD1 3.91Å; V92-Y94 HydrophobicContact CG1-CE1 3.68Å; Y94-H99 HydrophobicContact CD1-CB 4.27Å; Y94-H99 AromaticContact CD1-CD2 3.35Å; Y94-H99 WeakPolarHBondContact CD1-CD2 3.32Å; Y94-H99 AromaticContact CD1-CE1 3.41Å; Y94-H99 VanDerWaalsContact CD1-CE1 3.41Å; Y94-H99 WeakPolarHBondContact CD1-CE1 3.15Å; Y94-H99 AromaticContact CD1-CG 3.43Å; Y94-H99 VanDerWaalsContact CD1-CG 3.43Å; Y94-H99 AromaticContact CD1-ND1 3.47Å; Y94-H99 WeakPolarHBondContact CD1-ND1 3.44Å; Y94-H99 AromaticContact CD1-NE2 3.31Å; Y94-H99 VanDerWaalsContact CD1-NE2 3.31Å; Y94-H99 WeakPolarHBondContact CD1-NE2 3.23Å; Y94-H99 HydrophobicContact CD2-CB 4.49Å; Y94-H99 HydrophobicContact CE1-CB 4.18Å; Y94-H99 AromaticContact CE1-CE1 3.69Å; Y94-H99 AromaticContact CE1-CG 3.59Å; Y94-H99 AromaticContact CE1-ND1 3.38Å; Y94-H99 WeakPolarHBondContact CE1-ND1 3.49Å; Y94-H99 HydrophobicContact CE2-CB 4.41Å; Y94-H99 HydrophobicContact CG-CB 4.4Å; Y94-H99 AromaticContact CG-CD2 3.57Å; Y94-H99 AromaticContact CG-CG 3.85Å; Y94-H99 AromaticContact CG-NE2 3.9Å; Y94-W101 HydrophobicContact CD2-CZ3 4.24Å; Y94-W101 HydrophobicContact CE2-CE3 4.27Å; Y94-W101 HydrophobicContact CE2-CH2 4.38Å; Y94-W101 AromaticContact CE2-CZ3 3.78Å; Y94-W101 HydrophobicContact CE2-CZ3 3.78Å; Y94-L186 HydrophobicContact CD2-CD2 3.88Å; Y94-L186 HydrophobicContact CG-CD2 4.34Å; Y94-R213 WeakPolarHBondContact O-CA 3.13Å; Y94-L214 WeakPolarHBondContact CD2-O 3.37Å; Y94-L214 PolarHBondContact N-O 2.97Å; Y94-L214 PolarHBondContact O-N 2.85Å; Y94-P216 HydrophobicContact CE2-CG 3.86Å; Y94-Y231 HydrophobicContact CE1-CE2 4.19Å; Y94-Y231 AromaticContact CZ-CE2 3.95Å; Y94-Y231 WeakPolarHBondContact OH-CD2 3.34Å; Y94-Y231 WeakPolarHBondContact OH-CE2 3.2Å
95	T	97.8	Very high	98.5	Very high	67 Å²	67	28 Å²	28	41%	0.411	13%	0.127	S	C	.	.			trans	-126.6	-13.9	-178.6	53	0	0	0	0	113.9	R213	T95-R213 HydrophobicContact CG2-CB 3.7Å; T95-R213 HydrophobicContact CG2-CG 3.85Å
96	R	96.4	Very high	98.4	Very high	110 Å²	110	29.1 Å²	29.1	42%	0.415	14%	0.135	S	C	.	.	S	Bend	trans	-155.5	164.5	-178.3	61.3	178.3	-110.9	173.9	-0.4	108.9	H99 D236 P237 E238	R96-H99 PolarHBondContact O-NE2 2.69Å; R96-D236 IonicContact CZ-OD1 3.53Å; R96-D236 IonicContact NE-OD1 3.43Å; R96-D236 PolarHBondContact NE-OD1 2.92Å; R96-D236 IonicContact NH2-OD1 3.85Å; R96-D236 PolarHBondContact NH2-OD1 3.04Å; R96-P237 HydrophobicContact CB-CG 4.38Å; R96-E238 IonicContact NH2-OE1 3.19Å
97	G	96.3	Very high	98.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	81.8	172.2	175.9	0	0	0	0	0	114.5	M188 D189 L235	G97-M188 WeakPolarHBondContact O-CB 3.36Å; G97-M188 PolarHBondContact O-N 3.43Å; G97-D189 WeakPolarHBondContact CA-OD2 3.28Å; G97-D189 PolarHBondContact N-OD1 2.82Å; G97-L235 CarbonylContact C-O 3.56Å; G97-L235 WeakPolarHBondContact CA-O 3.47Å
98	L	97.9	Very high	98.3	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	126.7	171.9	176.3	68	0	0	0	109	R37 L38 L41 I185 L186 D187 G234 L235	R37-L98 HydrophobicContact CB-CD2 3.98Å; L38-L98 HydrophobicContact CB-CD2 4.22Å; L38-L98 HydrophobicContact CD1-CD2 4.48Å; L41-L98 HydrophobicContact CB-CD2 4.39Å; L41-L98 HydrophobicContact CD1-CB 4.33Å; L41-L98 HydrophobicContact CD1-CD2 3.74Å; L41-L98 HydrophobicContact CD1-CG 3.73Å; L98-I185 HydrophobicContact CD1-CG2 3.58Å; L98-L186 CarbonylContact C-O 3.42Å; L98-L186 WeakPolarHBondContact CA-O 3.41Å; L98-D187 HydrophobicContact CD1-CB 3.73Å; L98-G234 CarbonylContact O-C 3.55Å; L98-G234 WeakPolarHBondContact O-CA 3.46Å; L98-L235 HydrophobicContact CB-CB 4.34Å; L98-L235 PolarHBondContact N-O 2.78Å; L98-L235 PolarHBondContact O-N 2.74Å
99	H	98.6	Very high	98.3	Very high	23 Å²	23	44.8 Å²	44.8	11%	0.106	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.6	-179	-64	-74.1	0	0	0	111	Y94 R96 W101 L186 Y231	Y94-H99 HydrophobicContact CD1-CB 4.27Å; Y94-H99 AromaticContact CD1-CD2 3.35Å; Y94-H99 WeakPolarHBondContact CD1-CD2 3.32Å; Y94-H99 AromaticContact CD1-CE1 3.41Å; Y94-H99 VanDerWaalsContact CD1-CE1 3.41Å; Y94-H99 WeakPolarHBondContact CD1-CE1 3.15Å; Y94-H99 AromaticContact CD1-CG 3.43Å; Y94-H99 VanDerWaalsContact CD1-CG 3.43Å; Y94-H99 AromaticContact CD1-ND1 3.47Å; Y94-H99 WeakPolarHBondContact CD1-ND1 3.44Å; Y94-H99 AromaticContact CD1-NE2 3.31Å; Y94-H99 VanDerWaalsContact CD1-NE2 3.31Å; Y94-H99 WeakPolarHBondContact CD1-NE2 3.23Å; Y94-H99 HydrophobicContact CD2-CB 4.49Å; Y94-H99 HydrophobicContact CE1-CB 4.18Å; Y94-H99 AromaticContact CE1-CE1 3.69Å; Y94-H99 AromaticContact CE1-CG 3.59Å; Y94-H99 AromaticContact CE1-ND1 3.38Å; Y94-H99 WeakPolarHBondContact CE1-ND1 3.49Å; Y94-H99 HydrophobicContact CE2-CB 4.41Å; Y94-H99 HydrophobicContact CG-CB 4.4Å; Y94-H99 AromaticContact CG-CD2 3.57Å; Y94-H99 AromaticContact CG-CG 3.85Å; Y94-H99 AromaticContact CG-NE2 3.9Å; R96-H99 PolarHBondContact O-NE2 2.69Å; H99-W101 HydrophobicContact CB-CE3 4.4Å; H99-W101 HydrophobicContact CB-CZ3 4.03Å; H99-L186 PolarHBondContact N-O 2.92Å; H99-L186 PolarHBondContact O-N 3.48Å; H99-Y231 HydrophobicContact CB-CE2 4.28Å; H99-Y231 AromaticContact ND1-CZ 3.94Å; H99-Y231 PolarHBondContact ND1-OH 2.82Å
100	V	98.7	Very high	98.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.7	-179.4	-178.4	0	0	0	0	110.1	L38 L41 L42 T183 V184 I185 V232 N233	L38-V100 HydrophobicContact CD1-CG2 3.55Å; L41-V100 HydrophobicContact CD1-CG2 3.83Å; L41-V100 HydrophobicContact CD2-CB 3.76Å; L41-V100 HydrophobicContact CD2-CG2 3.59Å; L41-V100 HydrophobicContact CG-CG2 4.38Å; L42-V100 HydrophobicContact CD2-CG1 4.24Å; V100-T183 HydrophobicContact CG1-CG2 3.31Å; V100-V184 WeakPolarHBondContact CA-O 3.31Å; V100-I185 HydrophobicContact CG1-CG1 4.45Å; V100-I185 HydrophobicContact CG2-CG1 4.15Å; V100-I185 HydrophobicContact CG2-CG2 4.2Å; V100-V232 HydrophobicContact CB-CB 4.17Å; V100-V232 HydrophobicContact CG1-CB 3.95Å; V100-V232 HydrophobicContact CG1-CG1 4.43Å; V100-V232 HydrophobicContact CG1-CG2 4.06Å; V100-V232 WeakPolarHBondContact O-CA 3.2Å; V100-V232 WeakPolarHBondContact O-CB 3.43Å; V100-V232 PolarHBondContact O-N 3.13Å; V100-N233 PolarHBondContact N-O 3.07Å; V100-N233 PolarHBondContact O-N 2.94Å
101	W	98.8	Very high	98.2	Very high	2 Å²	2	47 Å²	47	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	155.9	170.7	59.8	93.5	0	0	0	110.8	Y94 H99 V118 V184 L186 P216 I229 R230 Y231	Y94-W101 HydrophobicContact CD2-CZ3 4.24Å; Y94-W101 HydrophobicContact CE2-CE3 4.27Å; Y94-W101 HydrophobicContact CE2-CH2 4.38Å; Y94-W101 AromaticContact CE2-CZ3 3.78Å; Y94-W101 HydrophobicContact CE2-CZ3 3.78Å; H99-W101 HydrophobicContact CB-CE3 4.4Å; H99-W101 HydrophobicContact CB-CZ3 4.03Å; W101-V118 HydrophobicContact CH2-CG1 3.79Å; W101-V118 HydrophobicContact CZ2-CG1 3.82Å; W101-V184 HydrophobicContact CD2-CB 4.13Å; W101-V184 HydrophobicContact CD2-CG1 4.46Å; W101-V184 HydrophobicContact CG-CB 4.33Å; W101-V184 HydrophobicContact CH2-CG1 4.14Å; W101-V184 HydrophobicContact CZ2-CB 3.96Å; W101-V184 HydrophobicContact CZ2-CG1 3.42Å; W101-V184 VanDerWaalsContact CZ2-CG1 3.42Å; W101-V184 PolarHBondContact N-O 3.23Å; W101-V184 VanDerWaalsContact N-O 3.13Å; W101-V184 PolarHBondContact O-N 2.83Å; W101-L186 HydrophobicContact CH2-CB 3.62Å; W101-L186 HydrophobicContact CH2-CD2 3.97Å; W101-L186 HydrophobicContact CH2-CG 4.43Å; W101-L186 HydrophobicContact CZ3-CB 3.75Å; W101-L186 HydrophobicContact CZ3-CD2 4.27Å; W101-P216 HydrophobicContact CD2-CB 4.46Å; W101-P216 HydrophobicContact CD2-CG 4.13Å; W101-P216 HydrophobicContact CE3-CG 4.33Å; W101-P216 HydrophobicContact CH2-CB 4.49Å; W101-P216 HydrophobicContact CH2-CG 4.01Å; W101-P216 HydrophobicContact CZ2-CB 3.8Å; W101-P216 HydrophobicContact CZ2-CG 3.78Å; W101-P216 HydrophobicContact CZ3-CG 4.28Å; W101-I229 HydrophobicContact CB-CD1 4.48Å; W101-I229 HydrophobicContact CB-CG1 4.24Å; W101-I229 HydrophobicContact CG-CD1 4.12Å; W101-I229 HydrophobicContact CG-CG1 4.28Å; W101-R230 CarbonylContact C-O 3.55Å; W101-R230 VanDerWaalsContact CA-O 3.32Å; W101-R230 WeakPolarHBondContact CA-O 3.43Å; W101-Y231 HydrophobicContact CB-CD2 4.42Å
102	R	98.6	Very high	98.1	Very high	138 Å²	138	46.3 Å²	46.3	52%	0.521	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	140.6	173.1	-70.5	179.6	177.7	172.3	3	110	L182 I229 R230 V232	R102-L182 WeakPolarHBondContact CA-O 3.45Å; R102-I229 WeakPolarHBondContact O-CA 3.48Å; R102-R230 PolarHBondContact N-O 3.14Å; R102-R230 PolarHBondContact O-N 2.93Å; R102-V232 HydrophobicContact CG-CG2 3.82Å
103	I	98.9	Very high	98.1	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	123.6	167	-62.1	-61.5	0	0	0	107.3	W57 W105 V116 C181 L182 V184 V227 S228 I229	W57-I103 HydrophobicContact CH2-CD1 3.93Å; W57-I103 HydrophobicContact CZ2-CD1 3.81Å; I103-W105 HydrophobicContact CG2-CB 4.19Å; I103-V116 HydrophobicContact CG1-CG1 3.89Å; I103-V116 HydrophobicContact CG2-CG2 4.27Å; I103-C181 WeakPolarHBondContact O-CA 3.39Å; I103-L182 HydrophobicContact CB-CD2 4.31Å; I103-L182 HydrophobicContact CB-CG 4.26Å; I103-L182 HydrophobicContact CG2-CD2 4.42Å; I103-L182 PolarHBondContact N-O 3.16Å; I103-L182 PolarHBondContact O-N 2.9Å; I103-V184 HydrophobicContact CG1-CG2 4.04Å; I103-V227 HydrophobicContact CG2-CG1 3.76Å; I103-S228 WeakPolarHBondContact CA-O 3.49Å; I103-I229 HydrophobicContact CD1-CB 3.99Å; I103-I229 HydrophobicContact CD1-CD1 4.23Å; I103-I229 HydrophobicContact CD1-CG1 3.93Å
104	H	98.8	Very high	98.1	Very high	73 Å²	73	45.1 Å²	45.1	34%	0.338	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113.3	166.6	171.9	-91.7	0	0	0	107.9	D180 C181 S228	H104-D180 WeakPolarHBondContact CA-O 3.38Å; H104-C181 VanDerWaalsContact CD2-SG 3.54Å; H104-S228 PolarHBondContact N-O 3.26Å; H104-S228 PolarHBondContact O-N 2.71Å
105	W	98.8	Very high	98.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.218	C	C	.	.			trans	-136.9	104.6	179.3	-168	-17.4	0	0	0	108.9	I103 A107 Q109 R110 A114 V116 L145 D180 V218 S219 A220 V227	I103-W105 HydrophobicContact CG2-CB 4.19Å; W105-A107 PolarHBondContact O-N 2.86Å; W105-Q109 PolarHBondContact NE1-O 3.44Å; W105-R110 HydrophobicContact CD2-CG 4.36Å; W105-R110 HydrophobicContact CG-CG 4.25Å; W105-R110 PolarHBondContact O-NE 2.83Å; W105-R110 PolarHBondContact O-NH2 2.96Å; W105-A114 HydrophobicContact CD2-CB 4.48Å; W105-A114 HydrophobicContact CE3-CB 4.37Å; W105-A114 HydrophobicContact CH2-CB 3.56Å; W105-A114 HydrophobicContact CZ2-CB 3.67Å; W105-A114 HydrophobicContact CZ3-CB 3.92Å; W105-V116 HydrophobicContact CE3-CG2 4.08Å; W105-V116 HydrophobicContact CZ3-CG2 4.17Å; W105-L145 HydrophobicContact CE3-CD1 4.37Å; W105-D180 CarbonylContact C-O 3.49Å; W105-D180 PolarHBondContact N-O 3.21Å; W105-D180 WeakPolarHBondContact O-CA 3.46Å; W105-V218 HydrophobicContact CZ3-CB 3.98Å; W105-V218 HydrophobicContact CZ3-CG1 4.28Å; W105-V218 HydrophobicContact CZ3-CG2 4.48Å; W105-S219 WeakPolarHBondContact CH2-O 3.44Å; W105-A220 HydrophobicContact CH2-CB 3.63Å; W105-A220 HydrophobicContact CZ2-CB 3.6Å; W105-V227 HydrophobicContact CB-CG1 4.11Å; W105-V227 HydrophobicContact CB-CG2 4.37Å; W105-V227 HydrophobicContact CD2-CB 4.47Å; W105-V227 HydrophobicContact CD2-CG1 4.14Å; W105-V227 HydrophobicContact CD2-CG2 3.49Å; W105-V227 VanDerWaalsContact CD2-CG2 3.49Å; W105-V227 HydrophobicContact CE3-CG1 4.05Å; W105-V227 HydrophobicContact CE3-CG2 3.99Å; W105-V227 HydrophobicContact CG-CG1 4.22Å; W105-V227 HydrophobicContact CG-CG2 3.69Å; W105-V227 HydrophobicContact CZ2-CG2 4.08Å; W105-V227 HydrophobicContact CZ3-CG2 4.48Å
106	P	98.6	Very high	98.1	Very high	25 Å²	25	41.6 Å²	41.6	16%	0.162	20%	0.199	C	C	.	.			trans	-51.6	127.5	179.6	-27.6	35.2	0	0	0	111.9	R108 Q109 D180 E226	P106-R108 PolarHBondContact O-N 3.27Å; P106-R108 VanDerWaalsContact O-N 3.14Å; P106-Q109 HydrophobicContact CB-CB 4.29Å; P106-Q109 HydrophobicContact CB-CG 4.05Å; P106-Q109 WeakPolarHBondContact O-CA 3.5Å; P106-Q109 PolarHBondContact O-N 3.03Å; P106-D180 WeakPolarHBondContact CA-OD1 3.19Å; P106-E226 WeakPolarHBondContact CD-O 3.44Å
107	A	97.6	Very high	98.2	Very high	45 Å²	45	36.3 Å²	36.3	37%	0.372	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-57.3	-35.2	-175.1	0	0	0	0	0	112.4	W105 Q109 R110 D180	W105-A107 PolarHBondContact O-N 2.86Å; A107-Q109 PolarHBondContact O-N 2.78Å; A107-R110 PolarHBondContact O-N 2.92Å; A107-D180 WeakPolarHBondContact CB-OD1 3.37Å; A107-D180 PolarHBondContact N-OD1 3.22Å
108	R	97.9	Very high	98.4	Very high	231 Å²	231	36.3 Å²	36.3	87%	0.872	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-69.1	-10.4	176.9	-61.5	-177.3	-174.8	-91.3	0.6	114	P106	P106-R108 PolarHBondContact O-N 3.27Å; P106-R108 VanDerWaalsContact O-N 3.14Å
109	Q	98.5	Very high	98.4	Very high	53 Å²	53	36.2 Å²	36.2	25%	0.248	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-112	18.5	-178.7	-61	-178.9	6.6	0	0	112.9	W105 P106 A107 W222 C225	W105-Q109 PolarHBondContact NE1-O 3.44Å; P106-Q109 HydrophobicContact CB-CB 4.29Å; P106-Q109 HydrophobicContact CB-CG 4.05Å; P106-Q109 WeakPolarHBondContact O-CA 3.5Å; P106-Q109 PolarHBondContact O-N 3.03Å; A107-Q109 PolarHBondContact O-N 2.78Å; Q109-W222 HydrophobicContact CB-CG 4.49Å; Q109-W222 WeakPolarHBondContact O-CB 3.37Å; Q109-C225 HydrophobicContact CB-CB 3.86Å; Q109-C225 WeakPolarHBondContact O-CB 3.48Å
110	R	98.2	Very high	98.4	Very high	21 Å²	21	35.9 Å²	35.9	8%	0.079	18%	0.178	C	C	.	.			trans	-88.3	-34.5	-178.4	-71.1	179.1	-173.6	157.4	5.5	113.4	W105 A107 A114 L178 P179	W105-R110 HydrophobicContact CD2-CG 4.36Å; W105-R110 HydrophobicContact CG-CG 4.25Å; W105-R110 PolarHBondContact O-NE 2.83Å; W105-R110 PolarHBondContact O-NH2 2.96Å; A107-R110 PolarHBondContact O-N 2.92Å; R110-A114 HydrophobicContact CB-CB 3.58Å; R110-A114 HydrophobicContact CG-CB 3.78Å; R110-L178 PolarHBondContact NH1-O 3.2Å; R110-P179 PolarHBondContact NH2-O 2.95Å
111	G	96.8	Very high	98.4	Very high	38 Å²	38	38.1 Å²	38.1	39%	0.392	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-151.1	-176.6	0	0	0	0	0	113.1	W222	G111-W222 VanDerWaalsContact CA-CE3 3.44Å
112	T	97.2	Very high	98.4	Very high	79 Å²	79	45.3 Å²	45.3	49%	0.485	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-23	-174.8	57	0	0	0	0	113.9	R147	T112-R147 PolarHBondContact O-NH1 2.8Å; T112-R147 PolarHBondContact O-NH2 3.26Å
113	H	97.9	Very high	98.4	Very high	28 Å²	28	39 Å²	39	13%	0.13	21%	0.207	C	C	.	.			trans	-144.3	110.9	-179.1	-62.6	97.1	0	0	0	108.9	Y130 T131 A132 D144 R147 V221	H113-Y130 PolarHBondContact CE1-O 3.39Å; H113-Y130 PolarHBondContact ND1-O 2.89Å; H113-T131 WeakPolarHBondContact CB-O 3.35Å; H113-A132 PolarHBondContact CD2-N 2.83Å; H113-D144 IonicContact CD2-OD2 2.7Å; H113-R147 PolarHBondContact CD2-NH1 3.03Å; H113-R147 PolarHBondContact NE2-NH1 3.09Å; H113-R147 PolarHBondContact NE2-NH2 3.19Å; H113-V221 HydrophobicContact CB-CG1 3.97Å; H113-V221 HydrophobicContact CB-CG2 4.28Å; H113-V221 WeakPolarHBondContact O-CG2 3.41Å
114	A	98.6	Very high	98.4	Very high	2 Å²	2	41.5 Å²	41.5	2%	0.017	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	106.4	172.5	0	0	0	0	0	107.3	W105 R110 D144 L145	W105-A114 HydrophobicContact CD2-CB 4.48Å; W105-A114 HydrophobicContact CE3-CB 4.37Å; W105-A114 HydrophobicContact CH2-CB 3.56Å; W105-A114 HydrophobicContact CZ2-CB 3.67Å; W105-A114 HydrophobicContact CZ3-CB 3.92Å; R110-A114 HydrophobicContact CB-CB 3.58Å; R110-A114 HydrophobicContact CG-CB 3.78Å; A114-D144 WeakPolarHBondContact O-CA 3.49Å; A114-L145 WeakPolarHBondContact O-CG 3.39Å; A114-L145 PolarHBondContact O-N 3.18Å
115	V	98.8	Very high	98.4	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.1	-173.6	-166.6	0	0	0	0	109.6	A132 V134 W143 D144 V218 S219	V115-A132 HydrophobicContact CG2-CB 3.86Å; V115-V134 HydrophobicContact CB-CB 4.18Å; V115-V134 HydrophobicContact CG1-CB 3.87Å; V115-V134 HydrophobicContact CG1-CG1 4.14Å; V115-W143 WeakPolarHBondContact CA-O 3.21Å; V115-D144 HydrophobicContact CG2-CB 4.18Å; V115-V218 CarbonylContact O-C 3.53Å; V115-V218 WeakPolarHBondContact O-CA 3.43Å; V115-V218 WeakPolarHBondContact O-CB 3.29Å; V115-S219 WeakPolarHBondContact CB-OG 3.47Å; V115-S219 PolarHBondContact N-O 3.2Å; V115-S219 VanDerWaalsContact N-O 3.1Å; V115-S219 PolarHBondContact O-N 2.85Å
116	V	98.9	Very high	98.4	Very high	1 Å²	1	43 Å²	43	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	138.3	177.1	178.7	0	0	0	0	109.6	I103 W105 G142 W143 L145 L182 V184 F195 V218	I103-V116 HydrophobicContact CG1-CG1 3.89Å; I103-V116 HydrophobicContact CG2-CG2 4.27Å; W105-V116 HydrophobicContact CE3-CG2 4.08Å; W105-V116 HydrophobicContact CZ3-CG2 4.17Å; V116-G142 WeakPolarHBondContact O-CA 3.44Å; V116-W143 PolarHBondContact N-O 3.08Å; V116-W143 PolarHBondContact O-N 3.49Å; V116-L145 HydrophobicContact CB-CD2 4.4Å; V116-L145 HydrophobicContact CG2-CD1 3.88Å; V116-L145 HydrophobicContact CG2-CD2 4.16Å; V116-L145 HydrophobicContact CG2-CG 4.25Å; V116-L182 HydrophobicContact CB-CD1 4.5Å; V116-L182 HydrophobicContact CG1-CD1 4.22Å; V116-L182 HydrophobicContact CG2-CD2 4.5Å; V116-V184 HydrophobicContact CG1-CG2 3.76Å; V116-F195 HydrophobicContact CG1-CE1 4.27Å; V116-V218 HydrophobicContact CB-CG1 4.34Å; V116-V218 HydrophobicContact CG1-CG1 4.3Å; V116-V218 HydrophobicContact CG2-CG1 3.91Å
117	G	98.8	Very high	98.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.1	-139.8	172.9	0	0	0	0	0	114.5	W141 I217	G117-W141 VanDerWaalsContact CA-O 3.25Å; G117-W141 WeakPolarHBondContact CA-O 3.39Å; G117-I217 PolarHBondContact N-O 2.95Å; G117-I217 PolarHBondContact O-N 3.07Å
118	V	98.9	Very high	98.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	153.6	-179.2	-61.2	0	0	0	0	111.3	W101 S140 W141 L186 L193 L209 L214 Y215	W101-V118 HydrophobicContact CH2-CG1 3.79Å; W101-V118 HydrophobicContact CZ2-CG1 3.82Å; V118-S140 WeakPolarHBondContact O-CA 3.22Å; V118-W141 HydrophobicContact CG2-CB 4.24Å; V118-W141 HydrophobicContact CG2-CE3 4.07Å; V118-W141 PolarHBondContact N-O 2.92Å; V118-W141 PolarHBondContact O-N 3.22Å; V118-L186 HydrophobicContact CG1-CD1 4.35Å; V118-L186 HydrophobicContact CG1-CD2 4.25Å; V118-L193 HydrophobicContact CG1-CD1 3.81Å; V118-L193 HydrophobicContact CG1-CD2 4.46Å; V118-L193 HydrophobicContact CG2-CD1 4.42Å; V118-L193 HydrophobicContact CG2-CD2 3.99Å; V118-L209 HydrophobicContact CG2-CD1 4.49Å; V118-L214 HydrophobicContact CB-CB 4.23Å; V118-L214 HydrophobicContact CG2-CB 4.46Å; V118-L214 HydrophobicContact CG2-CD1 3.95Å; V118-Y215 CarbonylContact C-O 3.46Å; V118-Y215 WeakPolarHBondContact CA-O 3.41Å
119	A	98.9	Very high	98.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	159.1	179.4	0	0	0	0	0	112.5	A123 E139 L214 Y215 I217	A119-A123 HydrophobicContact CB-CB 3.63Å; A119-E139 CarbonylContact C-O 3.55Å; A119-E139 VanDerWaalsContact CA-O 3.27Å; A119-E139 WeakPolarHBondContact CA-O 3.43Å; A119-L214 CarbonylContact O-C 3.48Å; A119-L214 WeakPolarHBondContact O-CA 3.31Å; A119-Y215 PolarHBondContact N-O 2.83Å; A119-Y215 PolarHBondContact O-N 2.8Å; A119-I217 HydrophobicContact CB-CB 4.17Å; A119-I217 HydrophobicContact CB-CD1 3.72Å; A119-I217 HydrophobicContact CB-CG2 3.74Å
120	T	98.9	Very high	98.4	Very high	17 Å²	17	38 Å²	38	10%	0.104	22%	0.219	C	C	.	.			trans	-73.6	174	163.2	73.4	0	0	0	0	110.1	R89 E122 E139 W141 L214	R89-T120 PolarHBondContact NH1-O 2.89Å; T120-E122 PolarHBondContact O-N 2.96Å; T120-E122 PolarHBondContact OG1-N 2.93Å; T120-E139 WeakPolarHBondContact CB-OE2 3.45Å; T120-E139 WeakPolarHBondContact CG2-OE2 3.46Å; T120-E139 PolarHBondContact N-O 3.3Å; T120-E139 WeakPolarHBondContact OG1-CB 3.33Å; T120-E139 PolarHBondContact OG1-OE2 2.95Å; T120-W141 HydrophobicContact CG2-CH2 4.42Å; T120-W141 HydrophobicContact CG2-CZ3 4.25Å; T120-L214 HydrophobicContact CG2-CD2 4.04Å
121	A	98.6	Very high	98.3	Very high	47 Å²	47	39.3 Å²	39.3	39%	0.388	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.7	173.4	0	0	0	0	0	112.7	R89 Y215	R89-A121 VanDerWaalsContact CZ-O 3.25Å; R89-A121 PolarHBondContact NH1-O 2.91Å; R89-A121 VanDerWaalsContact NH1-O 3.11Å; R89-A121 PolarHBondContact NH2-O 3.26Å; A121-Y215 HydrophobicContact CB-CE2 4.12Å
122	E	98.6	Very high	98.3	Very high	153 Å²	153	38.2 Å²	38.2	72%	0.715	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-16	-176.4	-55.7	-53.2	139.6	0	0	113.1	T120 E139	T120-E122 PolarHBondContact O-N 2.96Å; T120-E122 PolarHBondContact OG1-N 2.93Å; E122-E139 HydrophobicContact CB-CG 4.11Å
123	A	98.6	Very high	98.3	Very high	4 Å²	4	34.7 Å²	34.7	3%	0.033	20%	0.195	C	C	.	.	S	Bend	trans	-60.2	133.8	-180	0	0	0	0	0	111.1	R89 A119 E139	R89-A123 PolarHBondContact NH1-O 3.38Å; A119-A123 HydrophobicContact CB-CB 3.63Å; A123-E139 HydrophobicContact CB-CB 3.79Å
124	P	98.4	Very high	98.4	Very high	54 Å²	54	33.4 Å²	33.4	35%	0.351	19%	0.189	S	C	.	.			trans	-67.3	140.5	179.7	27.9	-34.4	0	0	0	111	L133 D137	P124-L133 HydrophobicContact CG-CD1 4.1Å; P124-D137 WeakPolarHBondContact CD-OD2 3.49Å
125	L	98.8	Very high	98.3	Very high	21 Å²	21	33.3 Å²	33.3	11%	0.11	19%	0.188	C	C	.	.	S	Bend	trans	-100.5	-1	-178.3	-60.2	-176.4	0	0	0	114.4	D61 S63 C87 R89 I217	D61-L125 VanDerWaalsContact C-CD1 3.47Å; D61-L125 VanDerWaalsContact OD1-CD1 3.31Å; D61-L125 WeakPolarHBondContact OD1-CD1 3.31Å; S63-L125 WeakPolarHBondContact CB-O 3.25Å; C87-L125 HydrophobicContact CB-CB 4.07Å; C87-L125 HydrophobicContact CB-CD2 3.67Å; C87-L125 HydrophobicContact CB-CG 4.49Å; C87-L125 WeakPolarHBondContact CB-O 3.23Å; C87-L125 PolarHBondContact N-O 2.89Å; R89-L125 HydrophobicContact CG-CD2 4.15Å; L125-I217 HydrophobicContact CD2-CD1 3.66Å
126	H	98.8	Very high	98.2	Very high	83 Å²	83	34 Å²	34	38%	0.384	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	147.9	179	172.8	74.1	0	0	0	110.7	S84 T85 D86 L133	S84-H126 PolarHBondContact OG-CE1 3.5Å; S84-H126 PolarHBondContact OG-ND1 3.26Å; T85-H126 WeakPolarHBondContact O-CA 3.37Å; T85-H126 PolarHBondContact O-ND1 3.38Å; D86-H126 IonicContact OD1-CE1 3.38Å; D86-H126 IonicContact OD1-ND1 2.72Å; D86-H126 PolarHBondContact OD1-ND1 2.88Å; H126-L133 VanDerWaalsContact C-CD2 3.5Å
127	S	98.3	Very high	98.1	Very high	34 Å²	34	35.4 Å²	35.4	24%	0.238	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	145.1	171.2	-173.7	0	0	0	0	110.5	T85	T85-S127 PolarHBondContact N-O 2.9Å; T85-S127 PolarHBondContact O-N 3.05Å
128	V	98	Very high	98	Very high	116 Å²	116	38 Å²	38	70%	0.703	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	139.7	171.4	-179	0	0	0	0	109.6
129	G	97.8	Very high	98	Very high	12 Å²	12	40.8 Å²	40.8	12%	0.124	23%	0.232	C	C	.	.	S	Bend	trans	85.6	176.4	-174.9	0	0	0	0	0	113.1	Q83 S84 T85	Q83-G129 PolarHBondContact O-N 2.79Å; S84-G129 CarbonylContact C-O 3.32Å; T85-G129 PolarHBondContact N-O 3.05Å; T85-G129 PolarHBondContact OG1-O 2.85Å
130	Y	98	Very high	98	Very high	88 Å²	88	40.9 Å²	40.9	35%	0.345	23%	0.232	S	C	.	.	S	Bend	trans	-96.2	107.2	175.8	-55.5	-45.1	0	0	0	109.9	Q83 T85 H113 V221	Q83-Y130 VanDerWaalsContact N-CE1 3.32Å; Q83-Y130 VanDerWaalsContact N-CZ 3.3Å; Q83-Y130 PolarHBondContact N-OH 2.81Å; T85-Y130 WeakPolarHBondContact OG1-CA 3.45Å; H113-Y130 PolarHBondContact CE1-O 3.39Å; H113-Y130 PolarHBondContact ND1-O 2.89Å; Y130-V221 HydrophobicContact CD1-CB 3.78Å; Y130-V221 HydrophobicContact CD1-CG1 3.99Å; Y130-V221 HydrophobicContact CE1-CB 4.39Å; Y130-V221 HydrophobicContact CG-CB 4.44Å
131	T	96.5	Very high	98	Very high	48 Å²	48	40.4 Å²	40.4	29%	0.294	23%	0.229	S	C	.	.			trans	-135.8	160.5	-174.6	67.9	0	0	0	0	111.7	T85 H113 L133	T85-T131 WeakPolarHBondContact CG2-O 3.46Å; T85-T131 PolarHBondContact OG1-N 3.13Å; H113-T131 WeakPolarHBondContact CB-O 3.35Å; T131-L133 VanDerWaalsContact C-N 3.28Å; T131-L133 PolarHBondContact O-N 3.4Å; T131-L133 VanDerWaalsContact O-N 3.13Å
132	A	96.4	Very high	98	Very high	15 Å²	15	38.1 Å²	38.1	12%	0.124	21%	0.21	C	C	.	.			trans	-79.1	80.3	162.8	0	0	0	0	0	108.7	H113 V115 Y151	H113-A132 PolarHBondContact CD2-N 2.83Å; V115-A132 HydrophobicContact CG2-CB 3.86Å; A132-Y151 HydrophobicContact CB-CD2 4.2Å; A132-Y151 HydrophobicContact CB-CE2 4.23Å; A132-Y151 HydrophobicContact CB-CG 4.46Å
133	L	98.3	Very high	98	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.026	18%	0.176	C	C	.	.			trans	-68.3	-46.1	-172.1	179.1	55.4	0	0	0	112.3	T85 C87 P124 H126 T131 G135 S136	T85-L133 HydrophobicContact CG2-CB 3.56Å; T85-L133 HydrophobicContact CG2-CD2 4.18Å; C87-L133 VanDerWaalsContact SG-CD2 3.51Å; P124-L133 HydrophobicContact CG-CD1 4.1Å; H126-L133 VanDerWaalsContact C-CD2 3.5Å; T131-L133 VanDerWaalsContact C-N 3.28Å; T131-L133 PolarHBondContact O-N 3.4Å; T131-L133 VanDerWaalsContact O-N 3.13Å; L133-G135 PolarHBondContact O-N 3.01Å; L133-S136 VanDerWaalsContact O-CB 3.24Å; L133-S136 WeakPolarHBondContact O-CB 3.5Å; L133-S136 PolarHBondContact O-N 3.42Å; L133-S136 VanDerWaalsContact O-N 3.08Å; L133-S136 PolarHBondContact O-OG 3.39Å
134	V	98.8	Very high	98	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	123.6	170.5	176.5	0	0	0	0	108.7	V115 I217 S219	V115-V134 HydrophobicContact CB-CB 4.18Å; V115-V134 HydrophobicContact CG1-CB 3.87Å; V115-V134 HydrophobicContact CG1-CG1 4.14Å; V134-I217 HydrophobicContact CG1-CG2 3.79Å; V134-I217 HydrophobicContact CG2-CB 4.48Å; V134-I217 HydrophobicContact CG2-CD1 4Å; V134-I217 HydrophobicContact CG2-CG1 3.9Å; V134-I217 HydrophobicContact CG2-CG2 3.85Å; V134-S219 PolarHBondContact N-OG 2.77Å
135	G	97.9	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	90	1.7	-175	0	0	0	0	0	114.7	L133 D137 S140 Y151 H152 D153 G154	L133-G135 PolarHBondContact O-N 3.01Å; G135-D137 VanDerWaalsContact C-N 3.29Å; G135-D137 PolarHBondContact O-N 2.99Å; G135-S140 WeakPolarHBondContact CA-O 3.32Å; G135-S140 PolarHBondContact N-OG 3.01Å; G135-Y151 VanDerWaalsContact CA-O 3.29Å; G135-Y151 WeakPolarHBondContact CA-O 3.35Å; G135-Y151 CarbonylContact O-C 3.49Å; G135-H152 CarbonylContact O-C 3.58Å; G135-H152 VanDerWaalsContact O-C 3.32Å; G135-H152 VanDerWaalsContact O-CA 3.29Å; G135-H152 WeakPolarHBondContact O-CA 3.39Å; G135-H152 PolarHBondContact O-N 2.65Å; G135-D153 PolarHBondContact O-N 3.11Å; G135-G154 PolarHBondContact O-N 2.88Å
136	S	96.9	Very high	97.7	Very high	14 Å²	14	30 Å²	30	10%	0.098	18%	0.182	C	C	.	.	S	Bend	trans	-73.5	-20.3	179.2	70.1	0	0	0	0	113.7	L133 G154 K155	L133-S136 VanDerWaalsContact O-CB 3.24Å; L133-S136 WeakPolarHBondContact O-CB 3.5Å; L133-S136 PolarHBondContact O-N 3.42Å; L133-S136 VanDerWaalsContact O-N 3.08Å; L133-S136 PolarHBondContact O-OG 3.39Å; S136-G154 PolarHBondContact O-N 2.89Å; S136-K155 WeakPolarHBondContact O-CB 3.45Å; S136-K155 VanDerWaalsContact O-CG 3.27Å; S136-K155 WeakPolarHBondContact O-CG 3.27Å; S136-K155 PolarHBondContact O-N 3.27Å
137	D	96.3	Very high	97.4	Very high	30 Å²	30	31 Å²	31	16%	0.16	18%	0.182	C	C	.	.	S	Bend	trans	-134.6	-176.3	179.4	58.5	25.8	0	0	0	111.8	P124 G135 E139 S140 D153	P124-D137 WeakPolarHBondContact CD-OD2 3.49Å; G135-D137 VanDerWaalsContact C-N 3.29Å; G135-D137 PolarHBondContact O-N 2.99Å; D137-E139 PolarHBondContact O-N 3.44Å; D137-E139 PolarHBondContact OD1-N 2.8Å; D137-S140 PolarHBondContact OD1-N 3.13Å; D137-S140 PolarHBondContact OD1-OG 2.81Å; D137-S140 VanDerWaalsContact OD1-OG 3.13Å; D137-D153 WeakPolarHBondContact O-CA 3.39Å; D137-D153 PolarHBondContact O-N 3.22Å
138	S	97.1	Very high	97.3	Very high	55 Å²	55	30 Å²	30	39%	0.385	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-12.4	179.1	58.4	0	0	0	0	114.3	W141 H152	S138-W141 WeakPolarHBondContact O-CH2 3.12Å; S138-H152 PolarHBondContact O-CE1 3.49Å
139	E	98.6	Very high	97.1	Very high	58 Å²	58	27.6 Å²	27.6	27%	0.271	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.8	-171.5	-62	-46.7	119	0	0	112.8	A119 T120 E122 A123 D137	A119-E139 CarbonylContact C-O 3.55Å; A119-E139 VanDerWaalsContact CA-O 3.27Å; A119-E139 WeakPolarHBondContact CA-O 3.43Å; T120-E139 WeakPolarHBondContact CB-OE2 3.45Å; T120-E139 WeakPolarHBondContact CG2-OE2 3.46Å; T120-E139 PolarHBondContact N-O 3.3Å; T120-E139 WeakPolarHBondContact OG1-CB 3.33Å; T120-E139 PolarHBondContact OG1-OE2 2.95Å; E122-E139 HydrophobicContact CB-CG 4.11Å; A123-E139 HydrophobicContact CB-CB 3.79Å; D137-E139 PolarHBondContact O-N 3.44Å; D137-E139 PolarHBondContact OD1-N 2.8Å
140	S	98.8	Very high	97.1	Very high	2 Å²	2	27.4 Å²	27.4	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	153.6	-176.2	55	0	0	0	0	113.7	V118 G135 D137 H152	V118-S140 WeakPolarHBondContact O-CA 3.22Å; G135-S140 WeakPolarHBondContact CA-O 3.32Å; G135-S140 PolarHBondContact N-OG 3.01Å; D137-S140 PolarHBondContact OD1-N 3.13Å; D137-S140 PolarHBondContact OD1-OG 2.81Å; D137-S140 VanDerWaalsContact OD1-OG 3.13Å; S140-H152 PolarHBondContact O-ND1 3.14Å
141	W	98.8	Very high	97	Very high	7 Å²	7	25.5 Å²	25.5	3%	0.027	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	120.6	179	-61.6	-96.1	0	0	0	108.1	G117 V118 T120 S138 H152 L193 F206 L209 K212 L214	G117-W141 VanDerWaalsContact CA-O 3.25Å; G117-W141 WeakPolarHBondContact CA-O 3.39Å; V118-W141 HydrophobicContact CG2-CB 4.24Å; V118-W141 HydrophobicContact CG2-CE3 4.07Å; V118-W141 PolarHBondContact N-O 2.92Å; V118-W141 PolarHBondContact O-N 3.22Å; T120-W141 HydrophobicContact CG2-CH2 4.42Å; T120-W141 HydrophobicContact CG2-CZ3 4.25Å; S138-W141 WeakPolarHBondContact O-CH2 3.12Å; W141-H152 AromaticContact CD1-CD2 3.9Å; W141-H152 AromaticContact CD1-CE1 3.88Å; W141-H152 AromaticContact CD1-CG 3.35Å; W141-H152 AromaticContact CD1-ND1 3.37Å; W141-H152 AromaticContact CD2-ND1 3.89Å; W141-H152 AromaticContact CE2-CE1 3.28Å; W141-H152 AromaticContact CE2-ND1 3.43Å; W141-H152 AromaticContact CE2-NE2 3.88Å; W141-H152 HydrophobicContact CG-CB 4.37Å; W141-H152 AromaticContact CG-ND1 3.85Å; W141-H152 AromaticContact CZ2-CE1 3.4Å; W141-H152 VanDerWaalsContact CZ2-CE1 3.4Å; W141-H152 WeakPolarHBondContact CZ2-CE1 3.26Å; W141-H152 AromaticContact CZ2-ND1 3.97Å; W141-H152 AromaticContact NE1-CD2 3.48Å; W141-H152 PolarHBondContact NE1-CD2 3.36Å; W141-H152 AromaticContact NE1-CE1 3.12Å; W141-H152 PolarHBondContact NE1-CE1 3.2Å; W141-H152 AromaticContact NE1-CG 3.31Å; W141-H152 VanDerWaalsContact NE1-CG 3.31Å; W141-H152 AromaticContact NE1-ND1 3.1Å; W141-H152 PolarHBondContact NE1-ND1 3.41Å; W141-H152 AromaticContact NE1-NE2 3.33Å; W141-H152 PolarHBondContact NE1-NE2 3.41Å; W141-L193 HydrophobicContact CB-CD2 4.49Å; W141-F206 HydrophobicContact CB-CD1 4.15Å; W141-F206 HydrophobicContact CB-CD2 3.97Å; W141-F206 HydrophobicContact CB-CE1 4.22Å; W141-F206 HydrophobicContact CB-CE2 4.03Å; W141-F206 HydrophobicContact CB-CG 4Å; W141-F206 HydrophobicContact CB-CZ 4.15Å; W141-F206 AromaticContact CD1-CD1 3.56Å; W141-F206 AromaticContact CD1-CG 3.83Å; W141-F206 HydrophobicContact CG-CD1 4.25Å; W141-F206 HydrophobicContact CG-CG 4.25Å; W141-L209 HydrophobicContact CD2-CD2 3.58Å; W141-L209 HydrophobicContact CE3-CD2 4.12Å; W141-L209 HydrophobicContact CG-CD2 3.98Å; W141-L209 HydrophobicContact CH2-CD2 4.4Å; W141-L209 HydrophobicContact CZ2-CD2 3.84Å; W141-K212 HydrophobicContact CH2-CD 3.54Å; W141-K212 HydrophobicContact CZ2-CD 4.02Å; W141-K212 HydrophobicContact CZ3-CD 4.32Å; W141-L214 HydrophobicContact CE3-CD2 4.08Å; W141-L214 HydrophobicContact CH2-CD2 4.22Å; W141-L214 HydrophobicContact CZ3-CD2 3.46Å; W141-L214 VanDerWaalsContact CZ3-CD2 3.46Å
142	G	98.6	Very high	97.1	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	143	-169.5	0	0	0	0	0	114.7	V116 Y151 F206	V116-G142 WeakPolarHBondContact O-CA 3.44Å; G142-Y151 PolarHBondContact N-O 3.05Å; G142-Y151 PolarHBondContact O-N 2.9Å; G142-F206 WeakPolarHBondContact O-CZ 3.4Å
143	W	98.6	Very high	96.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	115.8	168.4	179.8	28	0	0	0	110	V115 V116 L145 L150 Y166 F176 L178 L182 F195 V197 L202	V115-W143 WeakPolarHBondContact CA-O 3.21Å; V116-W143 PolarHBondContact N-O 3.08Å; V116-W143 PolarHBondContact O-N 3.49Å; W143-L145 HydrophobicContact CD2-CD2 3.89Å; W143-L145 HydrophobicContact CE3-CD2 3.8Å; W143-L145 HydrophobicContact CG-CD2 4.29Å; W143-L145 HydrophobicContact CZ3-CD2 4.33Å; W143-L145 PolarHBondContact O-N 3.02Å; W143-L150 HydrophobicContact CB-CD2 3.78Å; W143-L150 HydrophobicContact CG-CD2 3.97Å; W143-Y166 AromaticContact CD2-CD1 3.82Å; W143-Y166 HydrophobicContact CD2-CD1 3.82Å; W143-Y166 HydrophobicContact CD2-CE1 4.14Å; W143-Y166 AromaticContact CE2-CD1 3.53Å; W143-Y166 HydrophobicContact CE3-CD1 4.31Å; W143-Y166 HydrophobicContact CE3-CE1 4.16Å; W143-Y166 HydrophobicContact CG-CD1 4.2Å; W143-Y166 HydrophobicContact CH2-CD1 4.23Å; W143-Y166 HydrophobicContact CH2-CE1 4.1Å; W143-Y166 AromaticContact CZ2-CD1 3.76Å; W143-Y166 HydrophobicContact CZ2-CD1 3.76Å; W143-Y166 HydrophobicContact CZ2-CE1 4.11Å; W143-Y166 HydrophobicContact CZ3-CD1 4.5Å; W143-Y166 HydrophobicContact CZ3-CE1 4.14Å; W143-Y166 AromaticContact NE1-CD1 3.72Å; W143-Y166 PolarHBondContact NE1-O 3.17Å; W143-Y166 VanDerWaalsContact NE1-O 3.16Å; W143-F176 HydrophobicContact CH2-CE1 4.12Å; W143-F176 HydrophobicContact CZ2-CD1 4.32Å; W143-F176 HydrophobicContact CZ2-CE1 4.23Å; W143-L178 HydrophobicContact CE3-CD2 4.43Å; W143-L178 HydrophobicContact CH2-CD1 4.08Å; W143-L178 HydrophobicContact CH2-CD2 3.44Å; W143-L178 VanDerWaalsContact CH2-CD2 3.44Å; W143-L178 HydrophobicContact CH2-CG 3.98Å; W143-L178 HydrophobicContact CZ2-CD1 3.8Å; W143-L178 HydrophobicContact CZ2-CD2 3.93Å; W143-L178 HydrophobicContact CZ2-CG 4.23Å; W143-L178 HydrophobicContact CZ3-CD2 3.71Å; W143-L182 HydrophobicContact CE3-CD1 4.31Å; W143-L182 HydrophobicContact CZ3-CD1 4.22Å; W143-F195 HydrophobicContact CB-CD2 4.49Å; W143-F195 HydrophobicContact CB-CE1 4.48Å; W143-F195 HydrophobicContact CB-CE2 3.78Å; W143-F195 HydrophobicContact CB-CZ 3.76Å; W143-F195 HydrophobicContact CD2-CD2 4.35Å; W143-F195 HydrophobicContact CD2-CE2 4.49Å; W143-F195 HydrophobicContact CE3-CB 3.96Å; W143-F195 AromaticContact CE3-CD1 3.7Å; W143-F195 HydrophobicContact CE3-CD1 3.7Å; W143-F195 AromaticContact CE3-CD2 3.74Å; W143-F195 HydrophobicContact CE3-CD2 3.74Å; W143-F195 HydrophobicContact CE3-CE1 4.05Å; W143-F195 HydrophobicContact CE3-CE2 4.11Å; W143-F195 AromaticContact CE3-CG 3.51Å; W143-F195 HydrophobicContact CE3-CG 3.51Å; W143-F195 HydrophobicContact CE3-CZ 4.25Å; W143-F195 HydrophobicContact CG-CE2 4.42Å; W143-F195 HydrophobicContact CZ3-CB 3.67Å; W143-F195 HydrophobicContact CZ3-CD1 4.1Å; W143-F195 HydrophobicContact CZ3-CD2 4.31Å; W143-F195 AromaticContact CZ3-CG 3.77Å; W143-F195 HydrophobicContact CZ3-CG 3.77Å; W143-V197 HydrophobicContact CH2-CG2 4.14Å; W143-V197 HydrophobicContact CZ3-CG2 4.33Å; W143-L202 HydrophobicContact CH2-CD1 3.65Å; W143-L202 HydrophobicContact CZ3-CD1 4.15Å
144	D	97.8	Very high	96.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	111.5	171.3	-176.9	-32.5	0	0	0	109.1	H113 A114 V115 G146 R147 N148 R149 Y151	H113-D144 IonicContact CD2-OD2 2.7Å; A114-D144 WeakPolarHBondContact O-CA 3.49Å; V115-D144 HydrophobicContact CG2-CB 4.18Å; D144-G146 VanDerWaalsContact C-N 3.29Å; D144-G146 PolarHBondContact O-N 3.49Å; D144-G146 PolarHBondContact OD1-N 3.2Å; D144-R147 HydrophobicContact CB-CB 4.33Å; D144-R147 PolarHBondContact O-N 3.19Å; D144-R147 PolarHBondContact OD1-N 3.35Å; D144-R147 IonicContact OD1-NH1 3.49Å; D144-R147 IonicContact OD2-CZ 2.81Å; D144-R147 IonicContact OD2-NH1 3.32Å; D144-R147 PolarHBondContact OD2-NH1 3.22Å; D144-N148 WeakPolarHBondContact O-CA 3.36Å; D144-N148 PolarHBondContact O-N 3.32Å; D144-R149 PolarHBondContact N-O 3.45Å; D144-R149 PolarHBondContact O-N 3.22Å; D144-Y151 HydrophobicContact CB-CD2 3.96Å; D144-Y151 HydrophobicContact CB-CE2 3.56Å
145	L	97.1	Very high	95.4	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-24	-173.4	-48.9	-176.8	0	0	0	112.7	W105 A114 V116 W143 L178 L182	W105-L145 HydrophobicContact CE3-CD1 4.37Å; A114-L145 WeakPolarHBondContact O-CG 3.39Å; A114-L145 PolarHBondContact O-N 3.18Å; V116-L145 HydrophobicContact CB-CD2 4.4Å; V116-L145 HydrophobicContact CG2-CD1 3.88Å; V116-L145 HydrophobicContact CG2-CD2 4.16Å; V116-L145 HydrophobicContact CG2-CG 4.25Å; W143-L145 HydrophobicContact CD2-CD2 3.89Å; W143-L145 HydrophobicContact CE3-CD2 3.8Å; W143-L145 HydrophobicContact CG-CD2 4.29Å; W143-L145 HydrophobicContact CZ3-CD2 4.33Å; W143-L145 PolarHBondContact O-N 3.02Å; L145-L178 HydrophobicContact CB-CD1 4.47Å; L145-L178 HydrophobicContact CB-CD2 4.22Å; L145-L178 HydrophobicContact CD2-CD2 3.71Å; L145-L178 HydrophobicContact CG-CD2 4.34Å; L145-L178 WeakPolarHBondContact O-CD1 3.42Å; L145-L182 HydrophobicContact CD1-CD2 3.92Å; L145-L182 HydrophobicContact CD2-CD1 4.46Å; L145-L182 HydrophobicContact CD2-CD2 4.28Å
146	G	94.1	Very high	94.7	Very high	58 Å²	58	41.3 Å²	41.3	60%	0.598	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-36.5	179.3	0	0	0	0	0	111.9	D144	D144-G146 VanDerWaalsContact C-N 3.29Å; D144-G146 PolarHBondContact O-N 3.49Å; D144-G146 PolarHBondContact OD1-N 3.2Å
147	R	93.1	Very high	93.9	Very high	104 Å²	104	44 Å²	44	39%	0.392	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-14.3	-177.9	-67.2	-176.6	179.2	73.1	2.3	114.2	T112 H113 D144 R149	T112-R147 PolarHBondContact O-NH1 2.8Å; T112-R147 PolarHBondContact O-NH2 3.26Å; H113-R147 PolarHBondContact CD2-NH1 3.03Å; H113-R147 PolarHBondContact NE2-NH1 3.09Å; H113-R147 PolarHBondContact NE2-NH2 3.19Å; D144-R147 HydrophobicContact CB-CB 4.33Å; D144-R147 PolarHBondContact O-N 3.19Å; D144-R147 PolarHBondContact OD1-N 3.35Å; D144-R147 IonicContact OD1-NH1 3.49Å; D144-R147 IonicContact OD2-CZ 2.81Å; D144-R147 IonicContact OD2-NH1 3.32Å; D144-R147 PolarHBondContact OD2-NH1 3.22Å; R147-R149 VanDerWaalsContact C-N 3.31Å; R147-R149 HydrophobicContact CB-CB 4.18Å; R147-R149 HydrophobicContact CB-CG 3.84Å; R147-R149 WeakPolarHBondContact O-CG 3.26Å; R147-R149 PolarHBondContact O-N 3.21Å
148	N	95.3	Very high	92.8	Very high	13 Å²	13	46.3 Å²	46.3	7%	0.07	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	46.3	-171.1	-64.6	-53.2	0	0	0	111.6	D144 T165 Y166 L170 F176 L178	D144-N148 WeakPolarHBondContact O-CA 3.36Å; D144-N148 PolarHBondContact O-N 3.32Å; N148-T165 CarbonylContact O-C 3.54Å; N148-T165 WeakPolarHBondContact O-CA 3.42Å; N148-Y166 CarbonylContact C-O 3.59Å; N148-Y166 WeakPolarHBondContact CA-O 3.48Å; N148-Y166 VanDerWaalsContact CB-O 3.28Å; N148-Y166 WeakPolarHBondContact CB-O 3.44Å; N148-Y166 PolarHBondContact O-N 3.42Å; N148-L170 HydrophobicContact CB-CD1 4.04Å; N148-F176 PolarHBondContact ND2-N 3.42Å; N148-F176 PolarHBondContact ND2-O 2.89Å; N148-F176 PolarHBondContact OD1-O 2.79Å; N148-L178 WeakPolarHBondContact OD1-CD1 3.45Å
149	R	94.8	Very high	91.3	Very high	64 Å²	64	48.2 Å²	48.2	24%	0.242	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	141.8	-175	-66	-71.9	173.7	166.4	-2.5	111.8	D144 R147 Y151 A163 P164 T165	D144-R149 PolarHBondContact N-O 3.45Å; D144-R149 PolarHBondContact O-N 3.22Å; R147-R149 VanDerWaalsContact C-N 3.31Å; R147-R149 HydrophobicContact CB-CB 4.18Å; R147-R149 HydrophobicContact CB-CG 3.84Å; R147-R149 WeakPolarHBondContact O-CG 3.26Å; R147-R149 PolarHBondContact O-N 3.21Å; R149-Y151 HydrophobicContact CB-CD2 4.42Å; R149-Y151 HydrophobicContact CB-CE2 3.65Å; R149-A163 HydrophobicContact CB-CB 4.02Å; R149-A163 WeakPolarHBondContact CD-O 3.19Å; R149-A163 HydrophobicContact CG-CB 4.5Å; R149-A163 PolarHBondContact NH1-O 3.42Å; R149-P164 WeakPolarHBondContact CA-O 3.35Å; R149-T165 PolarHBondContact NH1-OG1 2.81Å; R149-T165 VanDerWaalsContact NH1-OG1 3.13Å; R149-T165 PolarHBondContact NH2-OG1 3.42Å
150	L	96.7	Very high	89.6	Confident	9 Å²	9	52.4 Å²	52.4	5%	0.047	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122	177.5	-62	179.5	0	0	0	111.7	W143 R157 A163 P164 Y166 A205 F206	W143-L150 HydrophobicContact CB-CD2 3.78Å; W143-L150 HydrophobicContact CG-CD2 3.97Å; L150-R157 PolarHBondContact O-NH1 3.4Å; L150-A163 WeakPolarHBondContact O-CB 3.38Å; L150-P164 PolarHBondContact N-O 3.02Å; L150-Y166 HydrophobicContact CD1-CD2 3.82Å; L150-Y166 HydrophobicContact CD1-CG 3.94Å; L150-Y166 HydrophobicContact CD2-CD1 4.19Å; L150-Y166 HydrophobicContact CD2-CD2 4.43Å; L150-Y166 HydrophobicContact CD2-CG 3.86Å; L150-Y166 VanDerWaalsContact CG-CB 3.44Å; L150-Y166 HydrophobicContact CG-CD2 4.41Å; L150-Y166 HydrophobicContact CG-CG 4.02Å; L150-A205 HydrophobicContact CD1-CB 3.74Å; L150-A205 VanDerWaalsContact CD1-O 3.32Å; L150-A205 WeakPolarHBondContact CD1-O 3.35Å; L150-A205 HydrophobicContact CD2-CB 3.84Å; L150-A205 HydrophobicContact CG-CB 4.46Å; L150-F206 HydrophobicContact CB-CE1 3.95Å; L150-F206 HydrophobicContact CB-CE2 4.41Å; L150-F206 HydrophobicContact CB-CZ 3.65Å; L150-F206 HydrophobicContact CD2-CE2 3.8Å; L150-F206 HydrophobicContact CD2-CZ 3.88Å; L150-F206 HydrophobicContact CG-CE2 4.5Å; L150-F206 HydrophobicContact CG-CZ 4.2Å
151	Y	97.2	Very high	88.5	Confident	48 Å²	48	55.2 Å²	55.2	19%	0.188	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	128.7	179.6	-64.7	-81.8	0	0	0	110.8	A132 G135 G142 D144 R149 A163 F206	A132-Y151 HydrophobicContact CB-CD2 4.2Å; A132-Y151 HydrophobicContact CB-CE2 4.23Å; A132-Y151 HydrophobicContact CB-CG 4.46Å; G135-Y151 VanDerWaalsContact CA-O 3.29Å; G135-Y151 WeakPolarHBondContact CA-O 3.35Å; G135-Y151 CarbonylContact O-C 3.49Å; G142-Y151 PolarHBondContact N-O 3.05Å; G142-Y151 PolarHBondContact O-N 2.9Å; D144-Y151 HydrophobicContact CB-CD2 3.96Å; D144-Y151 HydrophobicContact CB-CE2 3.56Å; R149-Y151 HydrophobicContact CB-CD2 4.42Å; R149-Y151 HydrophobicContact CB-CE2 3.65Å; Y151-A163 HydrophobicContact CD1-CB 4.07Å; Y151-A163 HydrophobicContact CE1-CB 3.73Å; Y151-F206 WeakPolarHBondContact O-CZ 3.16Å
152	H	97.2	Very high	87.7	Confident	56 Å²	56	59.4 Å²	59.4	26%	0.259	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	133.6	166.6	172.1	57.7	0	0	0	106.2	G135 S138 S140 W141 G154 F206	G135-H152 CarbonylContact O-C 3.58Å; G135-H152 VanDerWaalsContact O-C 3.32Å; G135-H152 VanDerWaalsContact O-CA 3.29Å; G135-H152 WeakPolarHBondContact O-CA 3.39Å; G135-H152 PolarHBondContact O-N 2.65Å; S138-H152 PolarHBondContact O-CE1 3.49Å; S140-H152 PolarHBondContact O-ND1 3.14Å; W141-H152 AromaticContact CD1-CD2 3.9Å; W141-H152 AromaticContact CD1-CE1 3.88Å; W141-H152 AromaticContact CD1-CG 3.35Å; W141-H152 AromaticContact CD1-ND1 3.37Å; W141-H152 AromaticContact CD2-ND1 3.89Å; W141-H152 AromaticContact CE2-CE1 3.28Å; W141-H152 AromaticContact CE2-ND1 3.43Å; W141-H152 AromaticContact CE2-NE2 3.88Å; W141-H152 HydrophobicContact CG-CB 4.37Å; W141-H152 AromaticContact CG-ND1 3.85Å; W141-H152 AromaticContact CZ2-CE1 3.4Å; W141-H152 VanDerWaalsContact CZ2-CE1 3.4Å; W141-H152 WeakPolarHBondContact CZ2-CE1 3.26Å; W141-H152 AromaticContact CZ2-ND1 3.97Å; W141-H152 AromaticContact NE1-CD2 3.48Å; W141-H152 PolarHBondContact NE1-CD2 3.36Å; W141-H152 AromaticContact NE1-CE1 3.12Å; W141-H152 PolarHBondContact NE1-CE1 3.2Å; W141-H152 AromaticContact NE1-CG 3.31Å; W141-H152 VanDerWaalsContact NE1-CG 3.31Å; W141-H152 AromaticContact NE1-ND1 3.1Å; W141-H152 PolarHBondContact NE1-ND1 3.41Å; W141-H152 AromaticContact NE1-NE2 3.33Å; W141-H152 PolarHBondContact NE1-NE2 3.41Å; H152-G154 PolarHBondContact O-N 2.87Å; H152-F206 HydrophobicContact CB-CD1 4.26Å; H152-F206 HydrophobicContact CB-CE1 3.84Å
153	D	93.4	Very high	87.2	Confident	46 Å²	46	60 Å²	60	25%	0.246	35%	0.351	C	S	.	.	S	Bend	trans	51.3	38	-176.8	-159.7	27.6	0	0	0	113.2	G135 D137 K155 N156 R157	G135-D153 PolarHBondContact O-N 3.11Å; D137-D153 WeakPolarHBondContact O-CA 3.39Å; D137-D153 PolarHBondContact O-N 3.22Å; D153-K155 VanDerWaalsContact C-N 3.26Å; D153-K155 PolarHBondContact O-N 2.89Å; D153-N156 PolarHBondContact O-N 2.98Å; D153-N156 VanDerWaalsContact O-N 3.09Å; D153-N156 PolarHBondContact OD1-ND2 2.92Å; D153-N156 WeakPolarHBondContact OD2-CB 3.47Å; D153-R157 PolarHBondContact O-N 3.14Å
154	G	83.9	Confident	86.9	Confident	29 Å²	29	63 Å²	63	30%	0.299	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-32	-170.1	0	0	0	0	0	114.5	G135 S136 H152	G135-G154 PolarHBondContact O-N 2.88Å; S136-G154 PolarHBondContact O-N 2.89Å; H152-G154 PolarHBondContact O-N 2.87Å
155	K	82.4	Confident	86.7	Confident	151 Å²	151	64.9 Å²	64.9	66%	0.657	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-29	178.3	-73.6	171	-176.6	169.1	0	113.7	S136 D153	S136-K155 WeakPolarHBondContact O-CB 3.45Å; S136-K155 VanDerWaalsContact O-CG 3.27Å; S136-K155 WeakPolarHBondContact O-CG 3.27Å; S136-K155 PolarHBondContact O-N 3.27Å; D153-K155 VanDerWaalsContact C-N 3.26Å; D153-K155 PolarHBondContact O-N 2.89Å
156	N	82.9	Confident	86.6	Confident	119 Å²	119	64.9 Å²	64.9	64%	0.636	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	-0.5	-178.8	-62.7	-40.4	0	0	0	112.6	D153	D153-N156 PolarHBondContact O-N 2.98Å; D153-N156 VanDerWaalsContact O-N 3.09Å; D153-N156 PolarHBondContact OD1-ND2 2.92Å; D153-N156 WeakPolarHBondContact OD2-CB 3.47Å
157	R	78.6	Confident	86.5	Confident	71 Å²	71	62.1 Å²	62.1	27%	0.268	35%	0.354	S	S	.	.	S	Bend	trans	-60.5	137.2	174.1	-85	-174.9	157.2	146.8	0.4	110.5	L150 D153 G159	L150-R157 PolarHBondContact O-NH1 3.4Å; D153-R157 PolarHBondContact O-N 3.14Å; R157-G159 PolarHBondContact O-N 2.89Å
158	P	74.5	Confident	86.3	Confident	78 Å²	78	61.1 Å²	61.1	51%	0.506	36%	0.363	S	S	.	.			trans	-53	135.4	171.5	-23.8	32.6	0	0	0	110.3	N160 S161	P158-N160 VanDerWaalsContact CB-OD1 3.29Å; P158-N160 WeakPolarHBondContact CB-OD1 3.17Å; P158-N160 PolarHBondContact O-N 2.81Å; P158-S161 WeakPolarHBondContact O-CB 3.47Å; P158-S161 PolarHBondContact O-N 3.23Å
159	G	64.1	Low	85.9	Confident	95 Å²	95	61.8 Å²	61.8	98%	0.979	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-10.8	-172.5	0	0	0	0	0	115.7	R157	R157-G159 PolarHBondContact O-N 2.89Å
160	N	64.7	Low	85.4	Confident	147 Å²	147	59.4 Å²	59.4	79%	0.786	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-5.7	174.8	56.9	0.2	0	0	0	113.8	P158	P158-N160 VanDerWaalsContact CB-OD1 3.29Å; P158-N160 WeakPolarHBondContact CB-OD1 3.17Å; P158-N160 PolarHBondContact O-N 2.81Å
161	S	75.1	Confident	84.7	Confident	61 Å²	61	64.8 Å²	64.8	43%	0.427	38%	0.382	S	S	.	.			trans	-98.8	103.3	-176.8	-64.6	0	0	0	0	110.7	P158	P158-S161 WeakPolarHBondContact O-CB 3.47Å; P158-S161 PolarHBondContact O-N 3.23Å
162	S	81.6	Confident	83.6	Confident	94 Å²	94	67.4 Å²	67.4	66%	0.657	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-65.1	146.1	170.2	63.9	0	0	0	0	111
163	A	88.6	Confident	82.5	Confident	12 Å²	12	72.6 Å²	72.6	10%	0.099	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-53.5	136.9	169.6	0	0	0	0	0	110.8	R149 L150 Y151 T165	R149-A163 HydrophobicContact CB-CB 4.02Å; R149-A163 WeakPolarHBondContact CD-O 3.19Å; R149-A163 HydrophobicContact CG-CB 4.5Å; R149-A163 PolarHBondContact NH1-O 3.42Å; L150-A163 WeakPolarHBondContact O-CB 3.38Å; Y151-A163 HydrophobicContact CD1-CB 4.07Å; Y151-A163 HydrophobicContact CE1-CB 3.73Å; A163-T165 PolarHBondContact O-N 2.92Å
164	P	92.1	Very high	81.9	Confident	64 Å²	64	74 Å²	74	42%	0.416	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-56.8	137.9	177.8	-25.8	33.8	0	0	0	111.7	R149 L150	R149-P164 WeakPolarHBondContact CA-O 3.35Å; L150-P164 PolarHBondContact N-O 3.02Å
165	T	93.6	Very high	81.6	Confident	40 Å²	40	77.3 Å²	77.3	25%	0.245	46%	0.458	C	S	.	.	B	Isolated β-bridge	trans	-68	139.2	169.8	-56.3	0	0	0	0	109.7	N148 R149 A163 L170	N148-T165 CarbonylContact O-C 3.54Å; N148-T165 WeakPolarHBondContact O-CA 3.42Å; R149-T165 PolarHBondContact NH1-OG1 2.81Å; R149-T165 VanDerWaalsContact NH1-OG1 3.13Å; R149-T165 PolarHBondContact NH2-OG1 3.42Å; A163-T165 PolarHBondContact O-N 2.92Å; T165-L170 HydrophobicContact CG2-CB 3.91Å; T165-L170 HydrophobicContact CG2-CD1 4Å
166	Y	93.8	Very high	81.8	Confident	4 Å²	4	71 Å²	71	2%	0.016	43%	0.431	C	S	.	.	S	Bend	trans	-143.3	128.8	172.9	-175.6	-90.8	0	0	0	111.3	W143 N148 L150 F195 L202 G203 A205	W143-Y166 AromaticContact CD2-CD1 3.82Å; W143-Y166 HydrophobicContact CD2-CD1 3.82Å; W143-Y166 HydrophobicContact CD2-CE1 4.14Å; W143-Y166 AromaticContact CE2-CD1 3.53Å; W143-Y166 HydrophobicContact CE3-CD1 4.31Å; W143-Y166 HydrophobicContact CE3-CE1 4.16Å; W143-Y166 HydrophobicContact CG-CD1 4.2Å; W143-Y166 HydrophobicContact CH2-CD1 4.23Å; W143-Y166 HydrophobicContact CH2-CE1 4.1Å; W143-Y166 AromaticContact CZ2-CD1 3.76Å; W143-Y166 HydrophobicContact CZ2-CD1 3.76Å; W143-Y166 HydrophobicContact CZ2-CE1 4.11Å; W143-Y166 HydrophobicContact CZ3-CD1 4.5Å; W143-Y166 HydrophobicContact CZ3-CE1 4.14Å; W143-Y166 AromaticContact NE1-CD1 3.72Å; W143-Y166 PolarHBondContact NE1-O 3.17Å; W143-Y166 VanDerWaalsContact NE1-O 3.16Å; N148-Y166 CarbonylContact C-O 3.59Å; N148-Y166 WeakPolarHBondContact CA-O 3.48Å; N148-Y166 VanDerWaalsContact CB-O 3.28Å; N148-Y166 WeakPolarHBondContact CB-O 3.44Å; N148-Y166 PolarHBondContact O-N 3.42Å; L150-Y166 HydrophobicContact CD1-CD2 3.82Å; L150-Y166 HydrophobicContact CD1-CG 3.94Å; L150-Y166 HydrophobicContact CD2-CD1 4.19Å; L150-Y166 HydrophobicContact CD2-CD2 4.43Å; L150-Y166 HydrophobicContact CD2-CG 3.86Å; L150-Y166 VanDerWaalsContact CG-CB 3.44Å; L150-Y166 HydrophobicContact CG-CD2 4.41Å; L150-Y166 HydrophobicContact CG-CG 4.02Å; Y166-F195 HydrophobicContact CD1-CD2 4.5Å; Y166-F195 HydrophobicContact CE1-CB 4.02Å; Y166-F195 AromaticContact CE1-CD2 3.66Å; Y166-F195 HydrophobicContact CE1-CD2 3.66Å; Y166-F195 HydrophobicContact CE1-CG 4.22Å; Y166-F195 AromaticContact CZ-CD2 3.9Å; Y166-F195 PolarHBondContact OH-N 3Å; Y166-F195 VanDerWaalsContact OH-N 3.16Å; Y166-L202 HydrophobicContact CE1-CB 3.92Å; Y166-L202 HydrophobicContact CE1-CD1 4.12Å; Y166-L202 HydrophobicContact CE2-CB 4.46Å; Y166-L202 WeakPolarHBondContact CE2-O 3.43Å; Y166-L202 VanDerWaalsContact OH-CB 3.26Å; Y166-L202 WeakPolarHBondContact OH-CB 3.26Å; Y166-G203 PolarHBondContact OH-O 2.94Å; Y166-A205 HydrophobicContact CD2-CB 4.12Å; Y166-A205 HydrophobicContact CE2-CB 3.78Å
167	P	92.5	Very high	82.1	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	43%	0.43	C	S	.	.	S	Bend	cis	-67.2	151.9	6	-24.3	36.4	0	0	0	115.2	F169 L170 F176 L202	P167-F169 HydrophobicContact CB-CD1 3.51Å; P167-F169 HydrophobicContact CB-CD2 4.49Å; P167-F169 HydrophobicContact CB-CE1 3.03Å; P167-F169 HydrophobicContact CB-CE2 4.11Å; P167-F169 HydrophobicContact CB-CG 4.22Å; P167-F169 HydrophobicContact CB-CZ 3.39Å; P167-F169 HydrophobicContact CG-CE1 3.71Å; P167-F169 HydrophobicContact CG-CE2 4.48Å; P167-F169 HydrophobicContact CG-CZ 3.65Å; P167-F169 PolarHBondContact O-N 2.93Å; P167-L170 WeakPolarHBondContact O-CB 3.13Å; P167-L170 WeakPolarHBondContact O-CG 3.4Å; P167-L170 PolarHBondContact O-N 2.83Å; P167-F176 HydrophobicContact CG-CD1 4.35Å; P167-F176 HydrophobicContact CG-CE1 4.18Å; P167-F176 HydrophobicContact CG-CE2 4.45Å; P167-F176 HydrophobicContact CG-CZ 4.24Å; P167-L202 HydrophobicContact CB-CB 4.4Å; P167-L202 HydrophobicContact CB-CD2 4.43Å; P167-L202 HydrophobicContact CG-CB 4.11Å; P167-L202 HydrophobicContact CG-CD1 3.93Å; P167-L202 HydrophobicContact CG-CD2 3.78Å; P167-L202 HydrophobicContact CG-CG 4.13Å
168	S	89.4	Confident	82.9	Confident	82 Å²	82	67 Å²	67	57%	0.573	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	-13.4	-173.3	55.3	0	0	0	0	114.5	L170	S168-L170 VanDerWaalsContact C-N 3.31Å
169	F	85.9	Confident	83.9	Confident	28 Å²	28	64.3 Å²	64.3	12%	0.123	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-4.7	175.9	61.6	-103.6	0	0	0	113.6	L27 F32 P167 F176 L202	L27-F169 HydrophobicContact CD1-CD1 3.5Å; L27-F169 VanDerWaalsContact CD1-CD1 3.5Å; L27-F169 HydrophobicContact CD1-CE1 3.16Å; L27-F169 HydrophobicContact CD1-CG 4.4Å; L27-F169 HydrophobicContact CD1-CZ 3.86Å; L27-F169 HydrophobicContact CD2-CB 4.04Å; L27-F169 HydrophobicContact CD2-CD1 3.42Å; L27-F169 VanDerWaalsContact CD2-CD1 3.42Å; L27-F169 HydrophobicContact CD2-CD2 3.77Å; L27-F169 HydrophobicContact CD2-CE1 3.7Å; L27-F169 HydrophobicContact CD2-CE2 4.04Å; L27-F169 HydrophobicContact CD2-CG 3.45Å; L27-F169 VanDerWaalsContact CD2-CG 3.45Å; L27-F169 HydrophobicContact CD2-CZ 4Å; L27-F169 HydrophobicContact CG-CD1 4.09Å; L27-F169 HydrophobicContact CG-CE1 4.04Å; L27-F169 HydrophobicContact CG-CZ 4.48Å; F32-F169 HydrophobicContact CD1-CD1 4.28Å; F32-F169 AromaticContact CE1-CD1 3.72Å; F32-F169 HydrophobicContact CE1-CD1 3.72Å; F32-F169 HydrophobicContact CE1-CE1 4.5Å; F32-F169 HydrophobicContact CZ-CB 4.12Å; F32-F169 HydrophobicContact CZ-CD1 4.05Å; P167-F169 HydrophobicContact CB-CD1 3.51Å; P167-F169 HydrophobicContact CB-CD2 4.49Å; P167-F169 HydrophobicContact CB-CE1 3.03Å; P167-F169 HydrophobicContact CB-CE2 4.11Å; P167-F169 HydrophobicContact CB-CG 4.22Å; P167-F169 HydrophobicContact CB-CZ 3.39Å; P167-F169 HydrophobicContact CG-CE1 3.71Å; P167-F169 HydrophobicContact CG-CE2 4.48Å; P167-F169 HydrophobicContact CG-CZ 3.65Å; P167-F169 PolarHBondContact O-N 2.93Å; F169-F176 HydrophobicContact CZ-CE2 4.4Å; F169-L202 HydrophobicContact CE1-CD2 4.09Å; F169-L202 HydrophobicContact CZ-CD2 4.23Å
170	L	85.3	Confident	85.5	Confident	14 Å²	14	63 Å²	63	7%	0.073	37%	0.371	C	S	.	.	S	Bend	trans	-71.9	132.5	177	-65.1	178.8	0	0	0	110.1	N148 T165 P167 S168 E174 F176	N148-L170 HydrophobicContact CB-CD1 4.04Å; T165-L170 HydrophobicContact CG2-CB 3.91Å; T165-L170 HydrophobicContact CG2-CD1 4Å; P167-L170 WeakPolarHBondContact O-CB 3.13Å; P167-L170 WeakPolarHBondContact O-CG 3.4Å; P167-L170 PolarHBondContact O-N 2.83Å; S168-L170 VanDerWaalsContact C-N 3.31Å; L170-E174 HydrophobicContact CB-CB 4.43Å; L170-E174 HydrophobicContact CD2-CB 4.3Å; L170-E174 HydrophobicContact CD2-CG 3.94Å; L170-F176 HydrophobicContact CD1-CB 3.54Å; L170-F176 HydrophobicContact CD1-CG 4.32Å; L170-F176 HydrophobicContact CD2-CB 3.77Å; L170-F176 HydrophobicContact CD2-CD2 4.14Å; L170-F176 HydrophobicContact CD2-CG 4.29Å; L170-F176 HydrophobicContact CG-CB 4.26Å
171	E	82.5	Confident	87.1	Confident	121 Å²	121	58.9 Å²	58.9	57%	0.565	35%	0.353	S	S	*	.			trans	-67.1	156.8	167.4	-60.9	-60.8	151.3	0	0	110.5	D173 E174	E171-D173 PolarHBondContact O-N 2.83Å; E171-E174 HydrophobicContact CB-CB 4.14Å; E171-E174 PolarHBondContact N-OE2 2.87Å; E171-E174 PolarHBondContact O-N 3.18Å
172	P	73.5	Confident	88.2	Confident	103 Å²	103	56.1 Å²	56.1	67%	0.669	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-27.2	-174.1	-30.5	36.6	0	0	0	116.4
173	D	74	Confident	89	Confident	165 Å²	165	52.4 Å²	52.4	88%	0.882	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.1	8.1	-179.3	-58.5	-51.4	0	0	0	113.2	E171 S175	E171-D173 PolarHBondContact O-N 2.83Å; D173-S175 PolarHBondContact O-N 2.87Å
174	E	81.9	Confident	89.5	Confident	75 Å²	75	51.9 Å²	51.9	35%	0.35	30%	0.303	S	S	.	.			trans	-78.4	118.6	178.6	-170.4	176.1	-179.3	0	0	110.5	R25 L170 E171 F176	R25-E174 IonicContact NH1-OE1 3.91Å; R25-E174 PolarHBondContact NH1-OE1 3.29Å; R25-E174 IonicContact NH1-OE2 3.01Å; R25-E174 PolarHBondContact NH1-OE2 2.86Å; L170-E174 HydrophobicContact CB-CB 4.43Å; L170-E174 HydrophobicContact CD2-CB 4.3Å; L170-E174 HydrophobicContact CD2-CG 3.94Å; E171-E174 HydrophobicContact CB-CB 4.14Å; E171-E174 PolarHBondContact N-OE2 2.87Å; E171-E174 PolarHBondContact O-N 3.18Å; E174-F176 PolarHBondContact O-N 2.85Å
175	S	76.3	Confident	89.8	Confident	99 Å²	99	49.1 Å²	49.1	69%	0.692	28%	0.284	S	S	*	.			trans	-79.9	117.7	174.2	64.9	0	0	0	0	110.8	D173	D173-S175 PolarHBondContact O-N 2.87Å
176	F	86.9	Confident	90.1	Very high	19 Å²	19	47.2 Å²	47.2	8%	0.083	27%	0.273	C	S	.	.			trans	-98.1	107.4	168.7	-173.3	-104.2	0	0	0	109.9	V23 W143 N148 P167 F169 L170 E174 L178 V197 L202	V23-F176 HydrophobicContact CB-CE2 4.44Å; V23-F176 HydrophobicContact CG1-CE2 3.69Å; V23-F176 HydrophobicContact CG1-CZ 3.87Å; V23-F176 HydrophobicContact CG2-CE2 3.97Å; V23-F176 HydrophobicContact CG2-CZ 4.23Å; W143-F176 HydrophobicContact CH2-CE1 4.12Å; W143-F176 HydrophobicContact CZ2-CD1 4.32Å; W143-F176 HydrophobicContact CZ2-CE1 4.23Å; N148-F176 PolarHBondContact ND2-N 3.42Å; N148-F176 PolarHBondContact ND2-O 2.89Å; N148-F176 PolarHBondContact OD1-O 2.79Å; P167-F176 HydrophobicContact CG-CD1 4.35Å; P167-F176 HydrophobicContact CG-CE1 4.18Å; P167-F176 HydrophobicContact CG-CE2 4.45Å; P167-F176 HydrophobicContact CG-CZ 4.24Å; F169-F176 HydrophobicContact CZ-CE2 4.4Å; L170-F176 HydrophobicContact CD1-CB 3.54Å; L170-F176 HydrophobicContact CD1-CG 4.32Å; L170-F176 HydrophobicContact CD2-CB 3.77Å; L170-F176 HydrophobicContact CD2-CD2 4.14Å; L170-F176 HydrophobicContact CD2-CG 4.29Å; L170-F176 HydrophobicContact CG-CB 4.26Å; E174-F176 PolarHBondContact O-N 2.85Å; F176-L178 HydrophobicContact CD1-CD1 3.58Å; F176-L178 HydrophobicContact CD1-CG 4.09Å; F176-L178 HydrophobicContact CE1-CD1 3.88Å; F176-L178 HydrophobicContact CE1-CG 3.88Å; F176-V197 HydrophobicContact CZ-CB 4.44Å; F176-V197 HydrophobicContact CZ-CG1 4.38Å; F176-L202 HydrophobicContact CE1-CD1 4.39Å; F176-L202 HydrophobicContact CZ-CD1 4.37Å; F176-L202 HydrophobicContact CZ-CD2 4.25Å
177	V	90.2	Very high	90.3	Very high	102 Å²	102	47.7 Å²	47.7	62%	0.618	28%	0.276	S	S	*	.			trans	-91	109.9	-179.1	-177.8	0	0	0	0	108.9
178	L	93.6	Very high	90.5	Very high	5 Å²	5	48 Å²	48	3%	0.026	28%	0.277	C	S	.	.			trans	-75.5	136.2	178.4	-79.7	87.5	0	0	0	112.2	R110 W143 L145 N148 F176 L182 V197	R110-L178 PolarHBondContact NH1-O 3.2Å; W143-L178 HydrophobicContact CE3-CD2 4.43Å; W143-L178 HydrophobicContact CH2-CD1 4.08Å; W143-L178 HydrophobicContact CH2-CD2 3.44Å; W143-L178 VanDerWaalsContact CH2-CD2 3.44Å; W143-L178 HydrophobicContact CH2-CG 3.98Å; W143-L178 HydrophobicContact CZ2-CD1 3.8Å; W143-L178 HydrophobicContact CZ2-CD2 3.93Å; W143-L178 HydrophobicContact CZ2-CG 4.23Å; W143-L178 HydrophobicContact CZ3-CD2 3.71Å; L145-L178 HydrophobicContact CB-CD1 4.47Å; L145-L178 HydrophobicContact CB-CD2 4.22Å; L145-L178 HydrophobicContact CD2-CD2 3.71Å; L145-L178 HydrophobicContact CG-CD2 4.34Å; L145-L178 WeakPolarHBondContact O-CD1 3.42Å; N148-L178 WeakPolarHBondContact OD1-CD1 3.45Å; F176-L178 HydrophobicContact CD1-CD1 3.58Å; F176-L178 HydrophobicContact CD1-CG 4.09Å; F176-L178 HydrophobicContact CE1-CD1 3.88Å; F176-L178 HydrophobicContact CE1-CG 3.88Å; L178-L182 HydrophobicContact CD2-CD2 4.4Å; L178-V197 HydrophobicContact CD2-CG2 4.34Å
179	P	96.3	Very high	90.8	Very high	21 Å²	21	45.6 Å²	45.6	14%	0.136	26%	0.258	C	S	.	.			trans	-67.6	173.8	167.4	34.3	-37.2	0	0	0	110.8	R110 C181 V197	R110-P179 PolarHBondContact NH2-O 2.95Å; P179-C181 PolarHBondContact O-N 3.43Å; P179-V197 HydrophobicContact CG-CG1 3.54Å
180	D	97.9	Very high	91.3	Very high	67 Å²	67	49.7 Å²	49.7	36%	0.358	28%	0.277	S	S	.	.	S	Bend	trans	-62.8	-29.2	-176.9	-66.8	-11.9	0	0	0	113.3	H104 W105 P106 A107	H104-D180 WeakPolarHBondContact CA-O 3.38Å; W105-D180 CarbonylContact C-O 3.49Å; W105-D180 PolarHBondContact N-O 3.21Å; W105-D180 WeakPolarHBondContact O-CA 3.46Å; P106-D180 WeakPolarHBondContact CA-OD1 3.19Å; A107-D180 WeakPolarHBondContact CB-OD1 3.37Å; A107-D180 PolarHBondContact N-OD1 3.22Å
181	C	98.2	Very high	91.9	Very high	61 Å²	61	49 Å²	49	41%	0.412	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.8	-179.7	-75.2	0	0	0	0	112.1	I103 H104 P179	I103-C181 WeakPolarHBondContact O-CA 3.39Å; H104-C181 VanDerWaalsContact CD2-SG 3.54Å; P179-C181 PolarHBondContact O-N 3.43Å
182	L	98.2	Very high	92.6	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	157.7	162.9	65.4	134.3	0	0	0	111	R102 I103 V116 W143 L145 L178 V184 F195 V197	R102-L182 WeakPolarHBondContact CA-O 3.45Å; I103-L182 HydrophobicContact CB-CD2 4.31Å; I103-L182 HydrophobicContact CB-CG 4.26Å; I103-L182 HydrophobicContact CG2-CD2 4.42Å; I103-L182 PolarHBondContact N-O 3.16Å; I103-L182 PolarHBondContact O-N 2.9Å; V116-L182 HydrophobicContact CB-CD1 4.5Å; V116-L182 HydrophobicContact CG1-CD1 4.22Å; V116-L182 HydrophobicContact CG2-CD2 4.5Å; W143-L182 HydrophobicContact CE3-CD1 4.31Å; W143-L182 HydrophobicContact CZ3-CD1 4.22Å; L145-L182 HydrophobicContact CD1-CD2 3.92Å; L145-L182 HydrophobicContact CD2-CD1 4.46Å; L145-L182 HydrophobicContact CD2-CD2 4.28Å; L178-L182 HydrophobicContact CD2-CD2 4.4Å; L182-V184 HydrophobicContact CD1-CG2 4.11Å; L182-F195 HydrophobicContact CD1-CD1 3.68Å; L182-F195 HydrophobicContact CD1-CE1 4.12Å; L182-V197 HydrophobicContact CB-CG2 4.05Å
183	T	98.6	Very high	93.8	Very high	17 Å²	17	38.9 Å²	38.9	10%	0.104	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	130.5	174.4	-57.3	0	0	0	0	108.9	V100 I185 F195 M196	V100-T183 HydrophobicContact CG1-CG2 3.31Å; T183-I185 HydrophobicContact CG2-CD1 4.15Å; T183-I185 HydrophobicContact CG2-CG1 4.35Å; T183-F195 CarbonylContact O-C 3.44Å; T183-F195 WeakPolarHBondContact O-CA 3.47Å; T183-M196 PolarHBondContact N-O 3Å; T183-M196 PolarHBondContact O-N 3.07Å
184	V	98.8	Very high	95	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.8	176.6	-171.5	0	0	0	0	108.1	V100 W101 I103 V116 L182 L193 F195	V100-V184 WeakPolarHBondContact CA-O 3.31Å; W101-V184 HydrophobicContact CD2-CB 4.13Å; W101-V184 HydrophobicContact CD2-CG1 4.46Å; W101-V184 HydrophobicContact CG-CB 4.33Å; W101-V184 HydrophobicContact CH2-CG1 4.14Å; W101-V184 HydrophobicContact CZ2-CB 3.96Å; W101-V184 HydrophobicContact CZ2-CG1 3.42Å; W101-V184 VanDerWaalsContact CZ2-CG1 3.42Å; W101-V184 PolarHBondContact N-O 3.23Å; W101-V184 VanDerWaalsContact N-O 3.13Å; W101-V184 PolarHBondContact O-N 2.83Å; I103-V184 HydrophobicContact CG1-CG2 4.04Å; V116-V184 HydrophobicContact CG1-CG2 3.76Å; L182-V184 HydrophobicContact CD1-CG2 4.11Å; V184-L193 HydrophobicContact CG1-CD1 3.67Å; V184-F195 HydrophobicContact CB-CD1 4.41Å; V184-F195 HydrophobicContact CB-CE1 4.36Å; V184-F195 HydrophobicContact CG1-CD1 4.32Å; V184-F195 HydrophobicContact CG1-CE1 3.93Å; V184-F195 HydrophobicContact CG2-CD1 4.03Å; V184-F195 HydrophobicContact CG2-CE1 3.89Å
185	I	98.8	Very high	95.8	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	112.4	-177.9	-56.6	97.1	0	0	0	108.3	L38 L98 V100 T183 L193 S194 M196	L38-I185 HydrophobicContact CD1-CG1 3.89Å; L38-I185 HydrophobicContact CD1-CG2 3.93Å; L38-I185 HydrophobicContact CD2-CD1 4.35Å; L38-I185 HydrophobicContact CD2-CG1 3.86Å; L38-I185 HydrophobicContact CD2-CG2 4.1Å; L98-I185 HydrophobicContact CD1-CG2 3.58Å; V100-I185 HydrophobicContact CG1-CG1 4.45Å; V100-I185 HydrophobicContact CG2-CG1 4.15Å; V100-I185 HydrophobicContact CG2-CG2 4.2Å; T183-I185 HydrophobicContact CG2-CD1 4.15Å; T183-I185 HydrophobicContact CG2-CG1 4.35Å; I185-L193 WeakPolarHBondContact O-CA 3.44Å; I185-S194 PolarHBondContact N-O 3.06Å; I185-S194 PolarHBondContact O-N 2.87Å; I185-M196 HydrophobicContact CD1-CB 3.86Å; I185-M196 HydrophobicContact CD1-CE 4.31Å
186	L	98.8	Very high	96.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	112.9	175.3	177.5	67.1	0	0	0	109	Y94 L98 H99 W101 V118 M188 L193 L209 L214	Y94-L186 HydrophobicContact CD2-CD2 3.88Å; Y94-L186 HydrophobicContact CG-CD2 4.34Å; L98-L186 CarbonylContact C-O 3.42Å; L98-L186 WeakPolarHBondContact CA-O 3.41Å; H99-L186 PolarHBondContact N-O 2.92Å; H99-L186 PolarHBondContact O-N 3.48Å; W101-L186 HydrophobicContact CH2-CB 3.62Å; W101-L186 HydrophobicContact CH2-CD2 3.97Å; W101-L186 HydrophobicContact CH2-CG 4.43Å; W101-L186 HydrophobicContact CZ3-CB 3.75Å; W101-L186 HydrophobicContact CZ3-CD2 4.27Å; V118-L186 HydrophobicContact CG1-CD1 4.35Å; V118-L186 HydrophobicContact CG1-CD2 4.25Å; L186-M188 HydrophobicContact CD1-SD 3.74Å; L186-M188 HydrophobicContact CD2-CG 4.03Å; L186-M188 HydrophobicContact CD2-SD 3.75Å; L186-M188 HydrophobicContact CG-CG 4.02Å; L186-M188 HydrophobicContact CG-SD 3.79Å; L186-L193 HydrophobicContact CB-CD1 4.24Å; L186-L193 HydrophobicContact CD1-CD1 4.21Å; L186-L209 HydrophobicContact CD1-CD1 3.88Å; L186-L214 HydrophobicContact CD1-CD1 4.23Å; L186-L214 HydrophobicContact CD2-CB 4.2Å
187	D	98.3	Very high	97.1	Very high	15 Å²	15	22.4 Å²	22.4	8%	0.08	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	102.9	171.3	-165.6	-39.1	0	0	0	108.3	R37 L98 D189 E190 G191 T192	R37-D187 IonicContact NH1-OD2 2.99Å; L98-D187 HydrophobicContact CD1-CB 3.73Å; D187-D189 VanDerWaalsContact C-N 3.31Å; D187-D189 WeakPolarHBondContact OD1-CA 3.4Å; D187-D189 WeakPolarHBondContact OD1-CB 3.46Å; D187-D189 PolarHBondContact OD1-N 2.91Å; D187-E190 HydrophobicContact CB-CB 4.22Å; D187-E190 PolarHBondContact OD1-N 2.7Å; D187-G191 CarbonylContact O-C 3.57Å; D187-G191 WeakPolarHBondContact O-CA 3.27Å; D187-G191 PolarHBondContact O-N 3.4Å; D187-T192 PolarHBondContact N-O 3.1Å; D187-T192 PolarHBondContact O-N 3.38Å
188	M	98.1	Very high	97.1	Very high	5 Å²	5	21.2 Å²	21.2	3%	0.025	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-18.8	178.3	-68.6	-57.2	-62.8	0	0	112.6	G97 L186 L209 K212 L214	G97-M188 WeakPolarHBondContact O-CB 3.36Å; G97-M188 PolarHBondContact O-N 3.43Å; L186-M188 HydrophobicContact CD1-SD 3.74Å; L186-M188 HydrophobicContact CD2-CG 4.03Å; L186-M188 HydrophobicContact CD2-SD 3.75Å; L186-M188 HydrophobicContact CG-CG 4.02Å; L186-M188 HydrophobicContact CG-SD 3.79Å; M188-L209 WeakPolarHBondContact CE-O 3.5Å; M188-K212 WeakPolarHBondContact CE-O 3.45Å; M188-L214 HydrophobicContact CE-CD1 4.26Å; M188-L214 HydrophobicContact CE-CG 4.32Å; M188-L214 HydrophobicContact SD-CB 4.32Å; M188-L214 HydrophobicContact SD-CD1 3.92Å; M188-L214 HydrophobicContact SD-CG 4.32Å
189	D	94.7	Very high	96.7	Very high	33 Å²	33	23.2 Å²	23.2	18%	0.176	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-42.4	177.3	-55	-33.8	0	0	0	110.2	R37 G97 D187 K210 P237	R37-D189 IonicContact CZ-OD2 3.26Å; R37-D189 VanDerWaalsContact CZ-OD2 3.32Å; R37-D189 IonicContact NH1-OD2 3.96Å; R37-D189 PolarHBondContact NH1-OD2 3.17Å; R37-D189 IonicContact NH2-OD2 3.55Å; R37-D189 PolarHBondContact NH2-OD2 3.33Å; G97-D189 WeakPolarHBondContact CA-OD2 3.28Å; G97-D189 PolarHBondContact N-OD1 2.82Å; D187-D189 VanDerWaalsContact C-N 3.31Å; D187-D189 WeakPolarHBondContact OD1-CA 3.4Å; D187-D189 WeakPolarHBondContact OD1-CB 3.46Å; D187-D189 PolarHBondContact OD1-N 2.91Å; D189-K210 VanDerWaalsContact O-CD 3.31Å; D189-K210 WeakPolarHBondContact O-CD 3.46Å; D189-K210 WeakPolarHBondContact O-CE 3.48Å; D189-K210 PolarHBondContact O-NZ 3.44Å; D189-P237 WeakPolarHBondContact OD1-CB 3.37Å; D189-P237 WeakPolarHBondContact OD2-CA 3.12Å
190	E	95.8	Very high	96.5	Very high	113 Å²	113	23.5 Å²	23.5	53%	0.528	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-15.8	172.3	-68.6	-56.3	146.5	0	0	113	D187 T192 K210	D187-E190 HydrophobicContact CB-CB 4.22Å; D187-E190 PolarHBondContact OD1-N 2.7Å; E190-T192 HydrophobicContact CB-CG2 4.08Å; E190-K210 WeakPolarHBondContact O-CE 3.18Å
191	G	97.8	Very high	96.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	46.2	-178.4	0	0	0	0	0	112.1	D187 R207 G208 L209	D187-G191 CarbonylContact O-C 3.57Å; D187-G191 WeakPolarHBondContact O-CA 3.27Å; D187-G191 PolarHBondContact O-N 3.4Å; G191-R207 CarbonylContact O-C 3.38Å; G191-R207 WeakPolarHBondContact O-CA 3.25Å; G191-G208 PolarHBondContact O-N 2.85Å; G191-L209 WeakPolarHBondContact O-CB 3.17Å; G191-L209 PolarHBondContact O-N 3.16Å
192	T	98.5	Very high	96.2	Very high	12 Å²	12	18.2 Å²	18.2	7%	0.074	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.5	-177.3	68.9	0	0	0	0	112.9	D187 E190 V204 F206 R207	D187-T192 PolarHBondContact N-O 3.1Å; D187-T192 PolarHBondContact O-N 3.38Å; E190-T192 HydrophobicContact CB-CG2 4.08Å; T192-V204 HydrophobicContact CG2-CG1 4.09Å; T192-F206 CarbonylContact C-O 3.48Å; T192-F206 WeakPolarHBondContact CA-O 3.44Å; T192-F206 WeakPolarHBondContact CB-O 3.42Å; T192-R207 HydrophobicContact CG2-CG 4.18Å
193	L	98.8	Very high	96.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	132.2	168.2	-176.3	71.4	0	0	0	108.5	V118 W141 V184 I185 L186 F195 A205 F206 L209	V118-L193 HydrophobicContact CG1-CD1 3.81Å; V118-L193 HydrophobicContact CG1-CD2 4.46Å; V118-L193 HydrophobicContact CG2-CD1 4.42Å; V118-L193 HydrophobicContact CG2-CD2 3.99Å; W141-L193 HydrophobicContact CB-CD2 4.49Å; V184-L193 HydrophobicContact CG1-CD1 3.67Å; I185-L193 WeakPolarHBondContact O-CA 3.44Å; L186-L193 HydrophobicContact CB-CD1 4.24Å; L186-L193 HydrophobicContact CD1-CD1 4.21Å; L193-F195 HydrophobicContact CD2-CE2 4.23Å; L193-F195 HydrophobicContact CD2-CZ 3.93Å; L193-F195 HydrophobicContact CG-CE2 4.31Å; L193-F195 HydrophobicContact CG-CZ 4.23Å; L193-A205 WeakPolarHBondContact O-CA 3.46Å; L193-A205 WeakPolarHBondContact O-CB 3.5Å; L193-A205 PolarHBondContact O-N 3.01Å; L193-F206 HydrophobicContact CB-CB 4.2Å; L193-F206 HydrophobicContact CB-CD2 4.11Å; L193-F206 HydrophobicContact CD2-CD2 3.71Å; L193-F206 HydrophobicContact CD2-CE2 4.1Å; L193-F206 HydrophobicContact CG-CD2 4.35Å; L193-F206 PolarHBondContact N-O 3.04Å; L193-F206 PolarHBondContact O-N 2.84Å; L193-L209 HydrophobicContact CB-CD1 3.77Å
194	S	98.6	Very high	96	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.014	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	165	-178.8	-49	0	0	0	0	110.7	I185 Y201 G203 V204	I185-S194 PolarHBondContact N-O 3.06Å; I185-S194 PolarHBondContact O-N 2.87Å; S194-Y201 PolarHBondContact OG-OH 2.89Å; S194-G203 WeakPolarHBondContact CB-O 3.47Å; S194-V204 WeakPolarHBondContact OG-CA 3.37Å
195	F	98.3	Very high	95.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	156.5	179.6	-58.4	-88.3	0	0	0	112	V116 W143 Y166 L182 T183 V184 L193 L202 A205	V116-F195 HydrophobicContact CG1-CE1 4.27Å; W143-F195 HydrophobicContact CB-CD2 4.49Å; W143-F195 HydrophobicContact CB-CE1 4.48Å; W143-F195 HydrophobicContact CB-CE2 3.78Å; W143-F195 HydrophobicContact CB-CZ 3.76Å; W143-F195 HydrophobicContact CD2-CD2 4.35Å; W143-F195 HydrophobicContact CD2-CE2 4.49Å; W143-F195 HydrophobicContact CE3-CB 3.96Å; W143-F195 AromaticContact CE3-CD1 3.7Å; W143-F195 HydrophobicContact CE3-CD1 3.7Å; W143-F195 AromaticContact CE3-CD2 3.74Å; W143-F195 HydrophobicContact CE3-CD2 3.74Å; W143-F195 HydrophobicContact CE3-CE1 4.05Å; W143-F195 HydrophobicContact CE3-CE2 4.11Å; W143-F195 AromaticContact CE3-CG 3.51Å; W143-F195 HydrophobicContact CE3-CG 3.51Å; W143-F195 HydrophobicContact CE3-CZ 4.25Å; W143-F195 HydrophobicContact CG-CE2 4.42Å; W143-F195 HydrophobicContact CZ3-CB 3.67Å; W143-F195 HydrophobicContact CZ3-CD1 4.1Å; W143-F195 HydrophobicContact CZ3-CD2 4.31Å; W143-F195 AromaticContact CZ3-CG 3.77Å; W143-F195 HydrophobicContact CZ3-CG 3.77Å; Y166-F195 HydrophobicContact CD1-CD2 4.5Å; Y166-F195 HydrophobicContact CE1-CB 4.02Å; Y166-F195 AromaticContact CE1-CD2 3.66Å; Y166-F195 HydrophobicContact CE1-CD2 3.66Å; Y166-F195 HydrophobicContact CE1-CG 4.22Å; Y166-F195 AromaticContact CZ-CD2 3.9Å; Y166-F195 PolarHBondContact OH-N 3Å; Y166-F195 VanDerWaalsContact OH-N 3.16Å; L182-F195 HydrophobicContact CD1-CD1 3.68Å; L182-F195 HydrophobicContact CD1-CE1 4.12Å; T183-F195 CarbonylContact O-C 3.44Å; T183-F195 WeakPolarHBondContact O-CA 3.47Å; V184-F195 HydrophobicContact CB-CD1 4.41Å; V184-F195 HydrophobicContact CB-CE1 4.36Å; V184-F195 HydrophobicContact CG1-CD1 4.32Å; V184-F195 HydrophobicContact CG1-CE1 3.93Å; V184-F195 HydrophobicContact CG2-CD1 4.03Å; V184-F195 HydrophobicContact CG2-CE1 3.89Å; L193-F195 HydrophobicContact CD2-CE2 4.23Å; L193-F195 HydrophobicContact CD2-CZ 3.93Å; L193-F195 HydrophobicContact CG-CE2 4.31Å; L193-F195 HydrophobicContact CG-CZ 4.23Å; F195-L202 HydrophobicContact CB-CD1 4.3Å; F195-L202 WeakPolarHBondContact O-CB 3.44Å; F195-L202 PolarHBondContact O-N 2.94Å; F195-A205 HydrophobicContact CD2-CB 3.94Å; F195-A205 HydrophobicContact CE2-CB 3.77Å
196	M	96.4	Very high	95.9	Very high	9 Å²	9	21 Å²	21	4%	0.044	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	133.7	173.8	-176.2	-168.8	-41.9	0	0	109.9	L38 L42 T183 I185 Q200	L38-M196 HydrophobicContact CD2-CE 3.84Å; L38-M196 HydrophobicContact CG-CE 4.41Å; L42-M196 HydrophobicContact CD1-CE 3.62Å; L42-M196 HydrophobicContact CD1-SD 4.34Å; T183-M196 PolarHBondContact N-O 3Å; T183-M196 PolarHBondContact O-N 3.07Å; I185-M196 HydrophobicContact CD1-CB 3.86Å; I185-M196 HydrophobicContact CD1-CE 4.31Å; M196-Q200 VanDerWaalsContact CA-O 3.23Å; M196-Q200 WeakPolarHBondContact CA-O 3.48Å; M196-Q200 VanDerWaalsContact CG-C 3.42Å; M196-Q200 WeakPolarHBondContact CG-O 3.45Å
197	V	94.6	Very high	95.9	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	132.4	-178.1	173.9	0	0	0	0	108.1	W143 F176 L178 P179 L182 G199 Q200 L202	W143-V197 HydrophobicContact CH2-CG2 4.14Å; W143-V197 HydrophobicContact CZ3-CG2 4.33Å; F176-V197 HydrophobicContact CZ-CB 4.44Å; F176-V197 HydrophobicContact CZ-CG1 4.38Å; L178-V197 HydrophobicContact CD2-CG2 4.34Å; P179-V197 HydrophobicContact CG-CG1 3.54Å; L182-V197 HydrophobicContact CB-CG2 4.05Å; V197-G199 PolarHBondContact O-N 2.97Å; V197-Q200 PolarHBondContact N-O 2.98Å; V197-Q200 WeakPolarHBondContact O-CA 3.49Å; V197-Q200 WeakPolarHBondContact O-CB 3.47Å; V197-Q200 PolarHBondContact O-N 2.98Å; V197-L202 HydrophobicContact CB-CD1 4.08Å; V197-L202 HydrophobicContact CG2-CD1 3.65Å
198	D	89.6	Confident	95.8	Very high	77 Å²	77	31 Å²	31	41%	0.412	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.4	33.5	-177.1	-62.6	-29.2	0	0	0	114.9	Q200	D198-Q200 VanDerWaalsContact C-N 3.26Å; D198-Q200 PolarHBondContact O-N 3.29Å
199	G	86.6	Confident	95.8	Very high	46 Å²	46	30.7 Å²	30.7	47%	0.474	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	-2	-177.9	0	0	0	0	0	114.9	R34 V197	R34-G199 PolarHBondContact NH2-O 2.84Å; V197-G199 PolarHBondContact O-N 2.97Å
200	Q	91	Very high	95.9	Very high	28 Å²	28	34.8 Å²	34.8	13%	0.131	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	120.3	178.8	-176.8	169.3	-23	0	0	111	V23 R25 L27 M196 V197 D198 L202	V23-Q200 PolarHBondContact O-OE1 3.28Å; R25-Q200 PolarHBondContact O-NE2 3.34Å; L27-Q200 HydrophobicContact CD1-CG 4.15Å; M196-Q200 VanDerWaalsContact CA-O 3.23Å; M196-Q200 WeakPolarHBondContact CA-O 3.48Å; M196-Q200 VanDerWaalsContact CG-C 3.42Å; M196-Q200 WeakPolarHBondContact CG-O 3.45Å; V197-Q200 PolarHBondContact N-O 2.98Å; V197-Q200 WeakPolarHBondContact O-CA 3.49Å; V197-Q200 WeakPolarHBondContact O-CB 3.47Å; V197-Q200 PolarHBondContact O-N 2.98Å; D198-Q200 VanDerWaalsContact C-N 3.26Å; D198-Q200 PolarHBondContact O-N 3.29Å; Q200-L202 HydrophobicContact CG-CD2 4.36Å
201	Y	94.9	Very high	95.8	Very high	17 Å²	17	33.4 Å²	33.4	7%	0.067	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	129.5	176.2	179.7	-109.5	0	0	0	109.4	R34 L38 S194	R34-Y201 HydrophobicContact CG-CG 4.46Å; L38-Y201 HydrophobicContact CD2-CD2 4.04Å; L38-Y201 HydrophobicContact CD2-CE2 4.14Å; S194-Y201 PolarHBondContact OG-OH 2.89Å
202	L	95.1	Very high	95.8	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	5.8	-169.7	-59.5	175.8	0	0	0	113.1	W143 Y166 P167 F169 F176 F195 V197 Q200	W143-L202 HydrophobicContact CH2-CD1 3.65Å; W143-L202 HydrophobicContact CZ3-CD1 4.15Å; Y166-L202 HydrophobicContact CE1-CB 3.92Å; Y166-L202 HydrophobicContact CE1-CD1 4.12Å; Y166-L202 HydrophobicContact CE2-CB 4.46Å; Y166-L202 WeakPolarHBondContact CE2-O 3.43Å; Y166-L202 VanDerWaalsContact OH-CB 3.26Å; Y166-L202 WeakPolarHBondContact OH-CB 3.26Å; P167-L202 HydrophobicContact CB-CB 4.4Å; P167-L202 HydrophobicContact CB-CD2 4.43Å; P167-L202 HydrophobicContact CG-CB 4.11Å; P167-L202 HydrophobicContact CG-CD1 3.93Å; P167-L202 HydrophobicContact CG-CD2 3.78Å; P167-L202 HydrophobicContact CG-CG 4.13Å; F169-L202 HydrophobicContact CE1-CD2 4.09Å; F169-L202 HydrophobicContact CZ-CD2 4.23Å; F176-L202 HydrophobicContact CE1-CD1 4.39Å; F176-L202 HydrophobicContact CZ-CD1 4.37Å; F176-L202 HydrophobicContact CZ-CD2 4.25Å; F195-L202 HydrophobicContact CB-CD1 4.3Å; F195-L202 WeakPolarHBondContact O-CB 3.44Å; F195-L202 PolarHBondContact O-N 2.94Å; V197-L202 HydrophobicContact CB-CD1 4.08Å; V197-L202 HydrophobicContact CG2-CD1 3.65Å; Q200-L202 HydrophobicContact CG-CD2 4.36Å
203	G	95.4	Very high	95.8	Very high	3 Å²	3	42.9 Å²	42.9	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83.2	175	-176	0	0	0	0	0	113.5	D31 Y166 S194 A205	D31-G203 VanDerWaalsContact O-CA 3.26Å; D31-G203 WeakPolarHBondContact O-CA 3.33Å; Y166-G203 PolarHBondContact OH-O 2.94Å; S194-G203 WeakPolarHBondContact CB-O 3.47Å; G203-A205 PolarHBondContact O-N 2.92Å
204	V	97.1	Very high	95.8	Very high	48 Å²	48	42.9 Å²	42.9	29%	0.291	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	123.5	-178.1	178	0	0	0	0	110.5	T192 S194 F206 R207	T192-V204 HydrophobicContact CG2-CG1 4.09Å; S194-V204 WeakPolarHBondContact OG-CA 3.37Å; V204-F206 WeakPolarHBondContact CG1-O 3.39Å; V204-R207 HydrophobicContact CG1-CG 3.72Å
205	A	97.5	Very high	95.8	Very high	15 Å²	15	44.7 Å²	44.7	12%	0.124	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	-45.1	175.7	0	0	0	0	0	111.8	L150 Y166 L193 F195 G203	L150-A205 HydrophobicContact CD1-CB 3.74Å; L150-A205 VanDerWaalsContact CD1-O 3.32Å; L150-A205 WeakPolarHBondContact CD1-O 3.35Å; L150-A205 HydrophobicContact CD2-CB 3.84Å; L150-A205 HydrophobicContact CG-CB 4.46Å; Y166-A205 HydrophobicContact CD2-CB 4.12Å; Y166-A205 HydrophobicContact CE2-CB 3.78Å; L193-A205 WeakPolarHBondContact O-CA 3.46Å; L193-A205 WeakPolarHBondContact O-CB 3.5Å; L193-A205 PolarHBondContact O-N 3.01Å; F195-A205 HydrophobicContact CD2-CB 3.94Å; F195-A205 HydrophobicContact CE2-CB 3.77Å; G203-A205 PolarHBondContact O-N 2.92Å
206	F	98.3	Very high	95.9	Very high	18 Å²	18	44.8 Å²	44.8	8%	0.079	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	151.4	-179.2	-56.3	-85.9	0	0	0	111.8	W141 G142 L150 Y151 H152 T192 L193 V204	W141-F206 HydrophobicContact CB-CD1 4.15Å; W141-F206 HydrophobicContact CB-CD2 3.97Å; W141-F206 HydrophobicContact CB-CE1 4.22Å; W141-F206 HydrophobicContact CB-CE2 4.03Å; W141-F206 HydrophobicContact CB-CG 4Å; W141-F206 HydrophobicContact CB-CZ 4.15Å; W141-F206 AromaticContact CD1-CD1 3.56Å; W141-F206 AromaticContact CD1-CG 3.83Å; W141-F206 HydrophobicContact CG-CD1 4.25Å; W141-F206 HydrophobicContact CG-CG 4.25Å; G142-F206 WeakPolarHBondContact O-CZ 3.4Å; L150-F206 HydrophobicContact CB-CE1 3.95Å; L150-F206 HydrophobicContact CB-CE2 4.41Å; L150-F206 HydrophobicContact CB-CZ 3.65Å; L150-F206 HydrophobicContact CD2-CE2 3.8Å; L150-F206 HydrophobicContact CD2-CZ 3.88Å; L150-F206 HydrophobicContact CG-CE2 4.5Å; L150-F206 HydrophobicContact CG-CZ 4.2Å; Y151-F206 WeakPolarHBondContact O-CZ 3.16Å; H152-F206 HydrophobicContact CB-CD1 4.26Å; H152-F206 HydrophobicContact CB-CE1 3.84Å; T192-F206 CarbonylContact C-O 3.48Å; T192-F206 WeakPolarHBondContact CA-O 3.44Å; T192-F206 WeakPolarHBondContact CB-O 3.42Å; L193-F206 HydrophobicContact CB-CB 4.2Å; L193-F206 HydrophobicContact CB-CD2 4.11Å; L193-F206 HydrophobicContact CD2-CD2 3.71Å; L193-F206 HydrophobicContact CD2-CE2 4.1Å; L193-F206 HydrophobicContact CG-CD2 4.35Å; L193-F206 PolarHBondContact N-O 3.04Å; L193-F206 PolarHBondContact O-N 2.84Å; V204-F206 WeakPolarHBondContact CG1-O 3.39Å
207	R	97.8	Very high	96	Very high	163 Å²	163	44.4 Å²	44.4	62%	0.615	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	170.4	174.7	-62.4	-173.9	176.4	-84	2.9	109.6	G191 T192 V204	G191-R207 CarbonylContact O-C 3.38Å; G191-R207 WeakPolarHBondContact O-CA 3.25Å; T192-R207 HydrophobicContact CG2-CG 4.18Å; V204-R207 HydrophobicContact CG1-CG 3.72Å
208	G	97.4	Very high	96.2	Very high	60 Å²	60	44.4 Å²	44.4	62%	0.619	25%	0.249	S	C	*	.			trans	83	24.5	176.4	0	0	0	0	0	113.9	G191	G191-G208 PolarHBondContact O-N 2.85Å
209	L	98.4	Very high	96.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	23%	0.23	C	C	.	.			trans	-90.6	-6.5	-177.3	-53.7	-177.5	0	0	0	113.8	V118 W141 L186 M188 G191 L193 K212 L214	V118-L209 HydrophobicContact CG2-CD1 4.49Å; W141-L209 HydrophobicContact CD2-CD2 3.58Å; W141-L209 HydrophobicContact CE3-CD2 4.12Å; W141-L209 HydrophobicContact CG-CD2 3.98Å; W141-L209 HydrophobicContact CH2-CD2 4.4Å; W141-L209 HydrophobicContact CZ2-CD2 3.84Å; L186-L209 HydrophobicContact CD1-CD1 3.88Å; M188-L209 WeakPolarHBondContact CE-O 3.5Å; G191-L209 WeakPolarHBondContact O-CB 3.17Å; G191-L209 PolarHBondContact O-N 3.16Å; L193-L209 HydrophobicContact CB-CD1 3.77Å; L209-K212 WeakPolarHBondContact O-CB 3.38Å; L209-K212 PolarHBondContact O-N 2.79Å; L209-L214 HydrophobicContact CB-CD1 3.77Å; L209-L214 HydrophobicContact CD1-CD1 4.02Å; L209-L214 HydrophobicContact CD2-CD1 4.07Å; L209-L214 HydrophobicContact CG-CD1 4.16Å
210	K	96.1	Very high	97.2	Very high	119 Å²	119	38.5 Å²	38.5	52%	0.517	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	146.4	180	-58.2	-164.3	-166.9	-157.1	0	111.1	D189 E190 K212	D189-K210 VanDerWaalsContact O-CD 3.31Å; D189-K210 WeakPolarHBondContact O-CD 3.46Å; D189-K210 WeakPolarHBondContact O-CE 3.48Å; D189-K210 PolarHBondContact O-NZ 3.44Å; E190-K210 WeakPolarHBondContact O-CE 3.18Å; K210-K212 PolarHBondContact O-N 2.79Å
211	G	93.9	Very high	97.6	Very high	83 Å²	83	37.7 Å²	37.7	86%	0.856	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.5	4.4	177.2	0	0	0	0	0	114.9
212	K	98	Very high	97.8	Very high	77 Å²	77	42.6 Å²	42.6	34%	0.335	22%	0.222	S	C	.	.			trans	-98.6	163.5	175.3	-58.6	-178.3	-175.6	-68.9	0	110.8	W141 M188 L209 K210 L214	W141-K212 HydrophobicContact CH2-CD 3.54Å; W141-K212 HydrophobicContact CZ2-CD 4.02Å; W141-K212 HydrophobicContact CZ3-CD 4.32Å; M188-K212 WeakPolarHBondContact CE-O 3.45Å; L209-K212 WeakPolarHBondContact O-CB 3.38Å; L209-K212 PolarHBondContact O-N 2.79Å; K210-K212 PolarHBondContact O-N 2.79Å; K212-L214 HydrophobicContact CB-CD1 4.37Å; K212-L214 HydrophobicContact CB-CD2 3.99Å; K212-L214 HydrophobicContact CB-CG 3.91Å; K212-L214 HydrophobicContact CD-CD2 4.29Å
213	R	98.6	Very high	97.9	Very high	134 Å²	134	43.6 Å²	43.6	51%	0.506	23%	0.232	S	C	.	.			trans	-107	114.5	162.4	-179.1	-179.6	-66	-90.3	7.4	108.1	G93 Y94 T95 Y215	G93-R213 PolarHBondContact O-NH1 3.4Å; Y94-R213 WeakPolarHBondContact O-CA 3.13Å; T95-R213 HydrophobicContact CG2-CB 3.7Å; T95-R213 HydrophobicContact CG2-CG 3.85Å; R213-Y215 VanDerWaalsContact CD-OH 3.26Å; R213-Y215 WeakPolarHBondContact CD-OH 3.47Å; R213-Y215 HydrophobicContact CG-CE2 3.94Å
214	L	98.9	Very high	98.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-119.8	131.3	-171.4	-64.1	-178.9	0	0	0	112.1	G93 Y94 V118 A119 T120 W141 L186 M188 L209 K212	G93-L214 CarbonylContact C-O 3.59Å; G93-L214 WeakPolarHBondContact CA-O 3.28Å; Y94-L214 WeakPolarHBondContact CD2-O 3.37Å; Y94-L214 PolarHBondContact N-O 2.97Å; Y94-L214 PolarHBondContact O-N 2.85Å; V118-L214 HydrophobicContact CB-CB 4.23Å; V118-L214 HydrophobicContact CG2-CB 4.46Å; V118-L214 HydrophobicContact CG2-CD1 3.95Å; A119-L214 CarbonylContact O-C 3.48Å; A119-L214 WeakPolarHBondContact O-CA 3.31Å; T120-L214 HydrophobicContact CG2-CD2 4.04Å; W141-L214 HydrophobicContact CE3-CD2 4.08Å; W141-L214 HydrophobicContact CH2-CD2 4.22Å; W141-L214 HydrophobicContact CZ3-CD2 3.46Å; W141-L214 VanDerWaalsContact CZ3-CD2 3.46Å; L186-L214 HydrophobicContact CD1-CD1 4.23Å; L186-L214 HydrophobicContact CD2-CB 4.2Å; M188-L214 HydrophobicContact CE-CD1 4.26Å; M188-L214 HydrophobicContact CE-CG 4.32Å; M188-L214 HydrophobicContact SD-CB 4.32Å; M188-L214 HydrophobicContact SD-CD1 3.92Å; M188-L214 HydrophobicContact SD-CG 4.32Å; L209-L214 HydrophobicContact CB-CD1 3.77Å; L209-L214 HydrophobicContact CD1-CD1 4.02Å; L209-L214 HydrophobicContact CD2-CD1 4.07Å; L209-L214 HydrophobicContact CG-CD1 4.16Å; K212-L214 HydrophobicContact CB-CD1 4.37Å; K212-L214 HydrophobicContact CB-CD2 3.99Å; K212-L214 HydrophobicContact CB-CG 3.91Å; K212-L214 HydrophobicContact CD-CD2 4.29Å
215	Y	98.9	Very high	98.2	Very high	41 Å²	41	46.1 Å²	46.1	16%	0.161	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	141.9	179.7	-60.6	-96.5	0	0	0	109.6	G90 V92 G93 V118 A119 A121 R213 I217	G90-Y215 WeakPolarHBondContact O-CD1 3.47Å; V92-Y215 VanDerWaalsContact C-CD1 3.46Å; G93-Y215 VanDerWaalsContact N-CD1 3.28Å; V118-Y215 CarbonylContact C-O 3.46Å; V118-Y215 WeakPolarHBondContact CA-O 3.41Å; A119-Y215 PolarHBondContact N-O 2.83Å; A119-Y215 PolarHBondContact O-N 2.8Å; A121-Y215 HydrophobicContact CB-CE2 4.12Å; R213-Y215 VanDerWaalsContact CD-OH 3.26Å; R213-Y215 WeakPolarHBondContact CD-OH 3.47Å; R213-Y215 HydrophobicContact CG-CE2 3.94Å; Y215-I217 PolarHBondContact O-N 2.82Å
216	P	98.9	Very high	98.2	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	137.4	164.5	-22.8	33.7	0	0	0	110.1	W57 R89 G90 Y94 W101 I229	W57-P216 HydrophobicContact CZ3-CB 4.38Å; R89-P216 CarbonylContact C-O 3.58Å; R89-P216 VanDerWaalsContact CA-O 3.28Å; R89-P216 WeakPolarHBondContact CA-O 3.35Å; G90-P216 PolarHBondContact N-O 3.46Å; Y94-P216 HydrophobicContact CE2-CG 3.86Å; W101-P216 HydrophobicContact CD2-CB 4.46Å; W101-P216 HydrophobicContact CD2-CG 4.13Å; W101-P216 HydrophobicContact CE3-CG 4.33Å; W101-P216 HydrophobicContact CH2-CB 4.49Å; W101-P216 HydrophobicContact CH2-CG 4.01Å; W101-P216 HydrophobicContact CZ2-CB 3.8Å; W101-P216 HydrophobicContact CZ2-CG 3.78Å; W101-P216 HydrophobicContact CZ3-CG 4.28Å; P216-I229 HydrophobicContact CB-CD1 3.74Å; P216-I229 HydrophobicContact CG-CD1 4.16Å
217	I	98.9	Very high	98.3	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	151.6	178.3	-166.9	170.5	0	0	0	110.5	C87 R89 G117 A119 L125 V134 Y215	C87-I217 HydrophobicContact CB-CD1 4.1Å; C87-I217 HydrophobicContact CB-CG1 4.17Å; R89-I217 HydrophobicContact CG-CB 4.18Å; R89-I217 HydrophobicContact CG-CD1 3.91Å; R89-I217 HydrophobicContact CG-CG1 4.05Å; G117-I217 PolarHBondContact N-O 2.95Å; G117-I217 PolarHBondContact O-N 3.07Å; A119-I217 HydrophobicContact CB-CB 4.17Å; A119-I217 HydrophobicContact CB-CD1 3.72Å; A119-I217 HydrophobicContact CB-CG2 3.74Å; L125-I217 HydrophobicContact CD2-CD1 3.66Å; V134-I217 HydrophobicContact CG1-CG2 3.79Å; V134-I217 HydrophobicContact CG2-CB 4.48Å; V134-I217 HydrophobicContact CG2-CD1 4Å; V134-I217 HydrophobicContact CG2-CG1 3.9Å; V134-I217 HydrophobicContact CG2-CG2 3.85Å; Y215-I217 PolarHBondContact O-N 2.82Å
218	V	98.9	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	156.1	164	-58.4	0	0	0	0	110.5	W57 F76 C87 I88 W105 V115 V116	W57-V218 HydrophobicContact CH2-CG1 3.93Å; W57-V218 HydrophobicContact CH2-CG2 4.3Å; W57-V218 HydrophobicContact CZ2-CG1 4.34Å; W57-V218 HydrophobicContact CZ2-CG2 4.44Å; F76-V218 HydrophobicContact CE1-CG2 3.44Å; F76-V218 VanDerWaalsContact CE1-CG2 3.44Å; F76-V218 HydrophobicContact CZ-CG2 3.58Å; C87-V218 WeakPolarHBondContact CA-O 3.27Å; C87-V218 WeakPolarHBondContact CB-O 3.46Å; I88-V218 HydrophobicContact CG2-CG2 4.34Å; W105-V218 HydrophobicContact CZ3-CB 3.98Å; W105-V218 HydrophobicContact CZ3-CG1 4.28Å; W105-V218 HydrophobicContact CZ3-CG2 4.48Å; V115-V218 CarbonylContact O-C 3.53Å; V115-V218 WeakPolarHBondContact O-CA 3.43Å; V115-V218 WeakPolarHBondContact O-CB 3.29Å; V116-V218 HydrophobicContact CB-CG1 4.34Å; V116-V218 HydrophobicContact CG1-CG1 4.3Å; V116-V218 HydrophobicContact CG2-CG1 3.91Å
219	S	98.8	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	130.6	163.4	55	0	0	0	0	110.5	D86 C87 W105 V115 V134	D86-S219 WeakPolarHBondContact O-CA 3.29Å; C87-S219 WeakPolarHBondContact SG-CB 3.4Å; W105-S219 WeakPolarHBondContact CH2-O 3.44Å; V115-S219 WeakPolarHBondContact CB-OG 3.47Å; V115-S219 PolarHBondContact N-O 3.2Å; V115-S219 VanDerWaalsContact N-O 3.1Å; V115-S219 PolarHBondContact O-N 2.85Å; V134-S219 PolarHBondContact N-OG 2.77Å
220	A	98.8	Very high	98.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	147.2	-175	0	0	0	0	0	112	R78 D86 W105	R78-A220 PolarHBondContact NE-O 2.67Å; D86-A220 PolarHBondContact N-O 3.31Å; D86-A220 PolarHBondContact O-N 3.48Å; W105-A220 HydrophobicContact CH2-CB 3.63Å; W105-A220 HydrophobicContact CZ2-CB 3.6Å
221	V	98.8	Very high	98.5	Very high	11 Å²	11	39.3 Å²	39.3	7%	0.067	19%	0.193	C	C	.	.			trans	-122.6	-11.2	177.9	-58.7	0	0	0	0	113.5	R78 T85 H113 Y130	R78-V221 VanDerWaalsContact NH1-C 3.31Å; R78-V221 PolarHBondContact NH1-O 3.24Å; T85-V221 HydrophobicContact CG2-CG1 4.01Å; T85-V221 WeakPolarHBondContact OG1-CG1 3.37Å; H113-V221 HydrophobicContact CB-CG1 3.97Å; H113-V221 HydrophobicContact CB-CG2 4.28Å; H113-V221 WeakPolarHBondContact O-CG2 3.41Å; Y130-V221 HydrophobicContact CD1-CB 3.78Å; Y130-V221 HydrophobicContact CD1-CG1 3.99Å; Y130-V221 HydrophobicContact CE1-CB 4.39Å; Y130-V221 HydrophobicContact CG-CB 4.44Å
222	W	98.6	Very high	98.7	Very high	120 Å²	120	36.3 Å²	36.3	46%	0.455	16%	0.158	S	C	.	.	S	Bend	trans	-80.5	132.9	-174.4	-171.5	-95.2	0	0	0	111	R78 Q109 G111 C225	R78-W222 WeakPolarHBondContact CD-O 3.14Å; R78-W222 PolarHBondContact NH1-O 3.11Å; Q109-W222 HydrophobicContact CB-CG 4.49Å; Q109-W222 WeakPolarHBondContact O-CB 3.37Å; G111-W222 VanDerWaalsContact CA-CE3 3.44Å; W222-C225 HydrophobicContact CB-CB 4.05Å; W222-C225 HydrophobicContact CG-CB 4.42Å; W222-C225 PolarHBondContact O-SG 3.37Å; W222-C225 VanDerWaalsContact O-SG 3.4Å
223	G	98.4	Very high	98.7	Very high	20 Å²	20	33.6 Å²	33.6	21%	0.206	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	135.4	175.4	0	0	0	0	0	110.7	C225	G223-C225 PolarHBondContact O-N 3.04Å
224	H	98.6	Very high	98.6	Very high	104 Å²	104	28.5 Å²	28.5	48%	0.481	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	19.3	-177.7	-50.9	-65.3	0	0	0	115.3	H77 R78 P80	H77-H224 AromaticContact CE1-ND1 3.73Å; H77-H224 AromaticContact NE2-CG 3.97Å; H77-H224 AromaticContact NE2-ND1 3.23Å; H77-H224 PolarHBondContact NE2-ND1 2.81Å; R78-H224 VanDerWaalsContact O-CA 3.26Å; R78-H224 WeakPolarHBondContact O-CA 3.45Å; R78-H224 PolarHBondContact O-N 3.44Å; P80-H224 WeakPolarHBondContact CG-NE2 3.35Å
225	C	98.8	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.			trans	-67	141	171.1	67.5	0	0	0	0	110.5	H77 R78 Q109 W222 G223	H77-C225 WeakPolarHBondContact CA-O 3.37Å; R78-C225 VanDerWaalsContact CB-SG 3.54Å; R78-C225 PolarHBondContact N-O 2.79Å; Q109-C225 HydrophobicContact CB-CB 3.86Å; Q109-C225 WeakPolarHBondContact O-CB 3.48Å; W222-C225 HydrophobicContact CB-CB 4.05Å; W222-C225 HydrophobicContact CG-CB 4.42Å; W222-C225 PolarHBondContact O-SG 3.37Å; W222-C225 VanDerWaalsContact O-SG 3.4Å; G223-C225 PolarHBondContact O-N 3.04Å
226	E	98.9	Very high	97.8	Very high	59 Å²	59	31.3 Å²	31.3	28%	0.276	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	127.1	170.7	-64.4	-167.3	170.1	0	0	109.6	K69 T75 F76 H77 P106	K69-E226 WeakPolarHBondContact CE-OE1 3.46Å; K69-E226 IonicContact NZ-OE1 2.74Å; K69-E226 PolarHBondContact NZ-OE1 2.74Å; K69-E226 IonicContact NZ-OE2 2.84Å; K69-E226 PolarHBondContact NZ-OE2 3.44Å; T75-E226 HydrophobicContact CG2-CB 3.81Å; F76-E226 VanDerWaalsContact O-CA 3.25Å; F76-E226 WeakPolarHBondContact O-CA 3.32Å; H77-E226 HydrophobicContact CB-CG 4.24Å; H77-E226 IonicContact CE1-OE1 3.99Å; H77-E226 IonicContact CG-OE1 2.91Å; H77-E226 WeakPolarHBondContact ND1-CG 3.49Å; H77-E226 IonicContact ND1-OE1 2.66Å; H77-E226 PolarHBondContact ND1-OE1 3.49Å; P106-E226 WeakPolarHBondContact CD-O 3.44Å
227	V	98.9	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	120.3	-177.4	-174	0	0	0	0	109.7	W57 T75 F76 I103 W105	W57-V227 HydrophobicContact CZ2-CG1 4.44Å; W57-V227 PolarHBondContact NE1-O 3.06Å; T75-V227 WeakPolarHBondContact CA-O 3.28Å; F76-V227 HydrophobicContact CD1-CB 4.09Å; F76-V227 HydrophobicContact CE1-CB 3.47Å; F76-V227 VanDerWaalsContact CE1-CB 3.47Å; F76-V227 HydrophobicContact CE1-CG1 4.11Å; F76-V227 HydrophobicContact CE1-CG2 4.01Å; F76-V227 HydrophobicContact CE2-CB 4.48Å; F76-V227 HydrophobicContact CE2-CG2 4.31Å; F76-V227 HydrophobicContact CZ-CB 3.68Å; F76-V227 HydrophobicContact CZ-CG2 3.66Å; F76-V227 PolarHBondContact N-O 2.96Å; F76-V227 VanDerWaalsContact N-O 3.17Å; F76-V227 PolarHBondContact O-N 3.22Å; F76-V227 VanDerWaalsContact O-N 3.11Å; I103-V227 HydrophobicContact CG2-CG1 3.76Å; W105-V227 HydrophobicContact CB-CG1 4.11Å; W105-V227 HydrophobicContact CB-CG2 4.37Å; W105-V227 HydrophobicContact CD2-CB 4.47Å; W105-V227 HydrophobicContact CD2-CG1 4.14Å; W105-V227 HydrophobicContact CD2-CG2 3.49Å; W105-V227 VanDerWaalsContact CD2-CG2 3.49Å; W105-V227 HydrophobicContact CE3-CG1 4.05Å; W105-V227 HydrophobicContact CE3-CG2 3.99Å; W105-V227 HydrophobicContact CG-CG1 4.22Å; W105-V227 HydrophobicContact CG-CG2 3.69Å; W105-V227 HydrophobicContact CZ2-CG2 4.08Å; W105-V227 HydrophobicContact CZ3-CG2 4.48Å
228	S	98.9	Very high	95.7	Very high	14 Å²	14	40.1 Å²	40.1	10%	0.098	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	139.2	-177.9	-41.8	0	0	0	0	111	L74 T75 I103 H104	L74-S228 CarbonylContact O-C 3.55Å; L74-S228 VanDerWaalsContact O-CA 3.31Å; L74-S228 WeakPolarHBondContact O-CA 3.39Å; T75-S228 VanDerWaalsContact OG1-CB 3.23Å; T75-S228 WeakPolarHBondContact OG1-CB 3.37Å; T75-S228 PolarHBondContact OG1-OG 3.49Å; I103-S228 WeakPolarHBondContact CA-O 3.49Å; H104-S228 PolarHBondContact N-O 3.26Å; H104-S228 PolarHBondContact O-N 2.71Å
229	I	98.9	Very high	94.4	Very high	2 Å²	2	46 Å²	46	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.9	168.6	-172.3	167.9	0	0	0	110.2	W57 L74 W101 R102 I103 P216	W57-I229 HydrophobicContact CD2-CB 4.21Å; W57-I229 HydrophobicContact CD2-CG2 3.67Å; W57-I229 VanDerWaalsContact CE2-CG2 3.49Å; W57-I229 HydrophobicContact CE3-CD1 4.49Å; W57-I229 HydrophobicContact CE3-CG2 4.37Å; W57-I229 HydrophobicContact CG-CG2 3.77Å; W57-I229 HydrophobicContact CH2-CB 4.23Å; W57-I229 HydrophobicContact CH2-CD1 3.98Å; W57-I229 HydrophobicContact CZ2-CB 3.63Å; W57-I229 HydrophobicContact CZ2-CD1 4.27Å; W57-I229 HydrophobicContact CZ2-CG1 4.45Å; W57-I229 HydrophobicContact CZ2-CG2 4.06Å; W57-I229 HydrophobicContact CZ3-CD1 4.11Å; L74-I229 WeakPolarHBondContact CB-O 3.36Å; L74-I229 PolarHBondContact O-N 2.82Å; W101-I229 HydrophobicContact CB-CD1 4.48Å; W101-I229 HydrophobicContact CB-CG1 4.24Å; W101-I229 HydrophobicContact CG-CD1 4.12Å; W101-I229 HydrophobicContact CG-CG1 4.28Å; R102-I229 WeakPolarHBondContact O-CA 3.48Å; I103-I229 HydrophobicContact CD1-CB 3.99Å; I103-I229 HydrophobicContact CD1-CD1 4.23Å; I103-I229 HydrophobicContact CD1-CG1 3.93Å; P216-I229 HydrophobicContact CB-CD1 3.74Å; P216-I229 HydrophobicContact CG-CD1 4.16Å
230	R	98.7	Very high	93.1	Very high	141 Å²	141	48.1 Å²	48.1	53%	0.532	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	110.3	172.4	-67.4	-169.1	-179.6	170.8	1.9	110.1	L74 W101 R102 V232	L74-R230 HydrophobicContact CD1-CG 4.1Å; W101-R230 CarbonylContact C-O 3.55Å; W101-R230 VanDerWaalsContact CA-O 3.32Å; W101-R230 WeakPolarHBondContact CA-O 3.43Å; R102-R230 PolarHBondContact N-O 3.14Å; R102-R230 PolarHBondContact O-N 2.93Å; R230-V232 PolarHBondContact O-N 3.49Å
231	Y	98.8	Very high	92.2	Very high	16 Å²	16	51.7 Å²	51.7	6%	0.063	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	130	172.8	-171.8	-107	0	0	0	110	A47 T51 Q52 H55 Y94 H99 W101 N233 G234	A47-Y231 HydrophobicContact CB-CD1 3.91Å; A47-Y231 HydrophobicContact CB-CE1 4.46Å; T51-Y231 HydrophobicContact CG2-CD1 4.05Å; T51-Y231 HydrophobicContact CG2-CE1 4.24Å; Q52-Y231 WeakPolarHBondContact CG-O 3.41Å; H55-Y231 HydrophobicContact CB-CD1 4.4Å; H55-Y231 HydrophobicContact CB-CD2 3.94Å; H55-Y231 HydrophobicContact CB-CG 3.73Å; H55-Y231 AromaticContact CD2-CD1 3.63Å; H55-Y231 AromaticContact CD2-CE1 3.82Å; H55-Y231 AromaticContact CD2-CG 3.83Å; H55-Y231 AromaticContact CG-CD2 3.84Å; H55-Y231 AromaticContact CG-CG 3.73Å; H55-Y231 AromaticContact NE2-CE1 3.85Å; H55-Y231 AromaticContact NE2-CZ 4Å; Y94-Y231 HydrophobicContact CE1-CE2 4.19Å; Y94-Y231 AromaticContact CZ-CE2 3.95Å; Y94-Y231 WeakPolarHBondContact OH-CD2 3.34Å; Y94-Y231 WeakPolarHBondContact OH-CE2 3.2Å; H99-Y231 HydrophobicContact CB-CE2 4.28Å; H99-Y231 AromaticContact ND1-CZ 3.94Å; H99-Y231 PolarHBondContact ND1-OH 2.82Å; W101-Y231 HydrophobicContact CB-CD2 4.42Å; Y231-N233 VanDerWaalsContact CZ-O 3.32Å; Y231-N233 VanDerWaalsContact OH-C 3.29Å; Y231-N233 PolarHBondContact OH-O 3.38Å; Y231-G234 WeakPolarHBondContact OH-CA 3.2Å; Y231-G234 PolarHBondContact OH-N 3.09Å; Y231-G234 VanDerWaalsContact OH-N 3.13Å
232	V	98.1	Very high	91.5	Very high	20 Å²	20	57.5 Å²	57.5	12%	0.121	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-60.4	-177.8	176.7	0	0	0	0	109.4	L41 L42 A47 V100 R102 R230	L41-V232 HydrophobicContact CD2-CG1 4.44Å; L42-V232 HydrophobicContact CD2-CG1 4.18Å; A47-V232 VanDerWaalsContact CB-O 3.23Å; A47-V232 WeakPolarHBondContact CB-O 3.47Å; A47-V232 PolarHBondContact N-O 3.46Å; V100-V232 HydrophobicContact CB-CB 4.17Å; V100-V232 HydrophobicContact CG1-CB 3.95Å; V100-V232 HydrophobicContact CG1-CG1 4.43Å; V100-V232 HydrophobicContact CG1-CG2 4.06Å; V100-V232 WeakPolarHBondContact O-CA 3.2Å; V100-V232 WeakPolarHBondContact O-CB 3.43Å; V100-V232 PolarHBondContact O-N 3.13Å; R102-V232 HydrophobicContact CG-CG2 3.82Å; R230-V232 PolarHBondContact O-N 3.49Å
233	N	97.7	Very high	90.9	Very high	21 Å²	21	57.6 Å²	57.6	11%	0.112	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	172.2	178.4	-94.8	-31.6	0	0	0	110.7	L41 P45 A47 V100 Y231	L41-N233 HydrophobicContact CD2-CB 3.56Å; L41-N233 HydrophobicContact CG-CB 3.85Å; P45-N233 PolarHBondContact O-ND2 3.23Å; A47-N233 PolarHBondContact N-OD1 2.93Å; V100-N233 PolarHBondContact N-O 3.07Å; V100-N233 PolarHBondContact O-N 2.94Å; Y231-N233 VanDerWaalsContact CZ-O 3.32Å; Y231-N233 VanDerWaalsContact OH-C 3.29Å; Y231-N233 PolarHBondContact OH-O 3.38Å
234	G	95.9	Very high	90.1	Very high	26 Å²	26	59 Å²	59	27%	0.268	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	155.7	168.5	0	0	0	0	0	111.8	L98 Y231	L98-G234 CarbonylContact O-C 3.55Å; L98-G234 WeakPolarHBondContact O-CA 3.46Å; Y231-G234 WeakPolarHBondContact OH-CA 3.2Å; Y231-G234 PolarHBondContact OH-N 3.09Å; Y231-G234 VanDerWaalsContact OH-N 3.13Å
235	L	93.5	Very high	89.4	Confident	12 Å²	12	57.5 Å²	57.5	6%	0.063	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.4	169	-73	179.9	0	0	0	109.1	R37 L40 L41 M44 G97 L98 L240	R37-L235 HydrophobicContact CB-CD1 4.49Å; R37-L235 VanDerWaalsContact O-CD1 3.31Å; R37-L235 WeakPolarHBondContact O-CD1 3.19Å; L40-L235 HydrophobicContact CD2-CD1 4.28Å; L41-L235 HydrophobicContact CB-CD1 3.74Å; L41-L235 HydrophobicContact CB-CG 3.97Å; L41-L235 HydrophobicContact CD1-CB 4.39Å; L41-L235 HydrophobicContact CD1-CD1 4.39Å; L41-L235 HydrophobicContact CD1-CG 3.98Å; L41-L235 HydrophobicContact CG-CD1 4.44Å; L41-L235 HydrophobicContact CG-CG 4.14Å; M44-L235 HydrophobicContact CE-CD2 4.39Å; M44-L235 HydrophobicContact SD-CD2 3.64Å; G97-L235 CarbonylContact C-O 3.56Å; G97-L235 WeakPolarHBondContact CA-O 3.47Å; L98-L235 HydrophobicContact CB-CB 4.34Å; L98-L235 PolarHBondContact N-O 2.78Å; L98-L235 PolarHBondContact O-N 2.74Å; L235-L240 HydrophobicContact CD1-CD2 4.47Å; L235-L240 HydrophobicContact CD2-CD2 3.89Å
236	D	88.2	Confident	88.9	Confident	89 Å²	89	60.7 Å²	60.7	48%	0.476	33%	0.33	S	S	.	.			trans	-66.6	159.3	171.5	-83.5	-59.9	0	0	0	112.1	R37 R96 E238	R37-D236 PolarHBondContact NH2-O 3.28Å; R96-D236 IonicContact CZ-OD1 3.53Å; R96-D236 IonicContact NE-OD1 3.43Å; R96-D236 PolarHBondContact NE-OD1 2.92Å; R96-D236 IonicContact NH2-OD1 3.85Å; R96-D236 PolarHBondContact NH2-OD1 3.04Å; D236-E238 PolarHBondContact O-N 2.97Å
237	P	78.8	Confident	88.4	Confident	57 Å²	57	59.4 Å²	59.4	37%	0.37	32%	0.322	S	S	.	.	S	Bend	trans	-63.3	-11.8	174.4	17.9	-27	0	0	0	114.5	R96 D189	R96-P237 HydrophobicContact CB-CG 4.38Å; D189-P237 WeakPolarHBondContact OD1-CB 3.37Å; D189-P237 WeakPolarHBondContact OD2-CA 3.12Å
238	E	75.4	Confident	87.6	Confident	130 Å²	130	61.7 Å²	61.7	61%	0.607	33%	0.331	S	S	*	.	S	Bend	trans	-69.4	149	-175.5	-69.1	176.9	-159.8	0	0	111.8	R96 D236 L240	R96-E238 IonicContact NH2-OE1 3.19Å; D236-E238 PolarHBondContact O-N 2.97Å; E238-L240 PolarHBondContact O-N 3.37Å
239	P	71	Confident	87	Confident	124 Å²	124	65.5 Å²	65.5	81%	0.805	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-53.6	128.6	171.9	-21.5	31.6	0	0	0	109.7
240	L	71.3	Confident	86.5	Confident	45 Å²	45	67.1 Å²	67.1	24%	0.236	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-62.7	141.7	178.6	-66.1	150.2	0	0	0	109.6	L40 L235 E238 L242 L245	L40-L240 HydrophobicContact CD2-CD1 3.08Å; L40-L240 HydrophobicContact CD2-CD2 3.53Å; L40-L240 HydrophobicContact CD2-CG 3.82Å; L235-L240 HydrophobicContact CD1-CD2 4.47Å; L235-L240 HydrophobicContact CD2-CD2 3.89Å; E238-L240 PolarHBondContact O-N 3.37Å; L240-L242 PolarHBondContact O-N 3.13Å; L240-L245 HydrophobicContact CB-CD2 4.06Å; L240-L245 HydrophobicContact CB-CG 4.12Å; L240-L245 HydrophobicContact CD1-CD2 3.91Å
241	P	80.2	Confident	86	Confident	75 Å²	75	62.5 Å²	62.5	49%	0.487	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-52.4	137	174	-25.2	33.5	0	0	0	110.9	M243 D244 L245	P241-M243 PolarHBondContact O-N 3.39Å; P241-D244 WeakPolarHBondContact CD-OD2 2.88Å; P241-D244 PolarHBondContact O-N 2.86Å; P241-L245 PolarHBondContact O-N 2.98Å
242	L	83.6	Confident	85.3	Confident	132 Å²	132	66.1 Å²	66.1	69%	0.691	37%	0.369	S	S	*	.	H	α-helix	trans	-51.4	-36.4	178.7	177	61.1	0	0	0	111.7	L240 D244 L245 C246	L240-L242 PolarHBondContact O-N 3.13Å; L242-D244 PolarHBondContact O-N 3.23Å; L242-L245 PolarHBondContact O-N 2.9Å; L242-C246 WeakPolarHBondContact O-CB 3.35Å; L242-C246 PolarHBondContact O-N 2.91Å; L242-C246 PolarHBondContact O-SG 3.23Å
243	M	85.7	Confident	84.7	Confident	123 Å²	123	68.6 Å²	68.6	61%	0.606	39%	0.392	S	S	*	.	H	α-helix	trans	-53.2	-56.3	174.1	-67.7	-175.1	67.4	0	0	110.6	P241 L245 C246 R247 Y274	P241-M243 PolarHBondContact O-N 3.39Å; M243-L245 VanDerWaalsContact C-N 3.28Å; M243-L245 PolarHBondContact O-N 2.81Å; M243-C246 CarbonylContact O-C 3.59Å; M243-C246 WeakPolarHBondContact O-CA 3.31Å; M243-C246 WeakPolarHBondContact O-CB 3.38Å; M243-C246 PolarHBondContact O-N 2.69Å; M243-R247 PolarHBondContact O-N 2.9Å; M243-Y274 WeakPolarHBondContact CA-OH 3.35Å; M243-Y274 HydrophobicContact CB-CE2 4.33Å; M243-Y274 WeakPolarHBondContact CB-OH 3.44Å; M243-Y274 HydrophobicContact CE-CD2 4.14Å; M243-Y274 HydrophobicContact CE-CE2 3.63Å; M243-Y274 PolarHBondContact O-OH 3.18Å
244	D	82.3	Confident	84.2	Confident	48 Å²	48	69 Å²	69	26%	0.257	39%	0.394	S	S	.	.	H	α-helix	trans	-62	-36	-176.1	-65.8	-33.7	0	0	0	112.6	P241 L242 R247 R248 Y274	P241-D244 WeakPolarHBondContact CD-OD2 2.88Å; P241-D244 PolarHBondContact O-N 2.86Å; L242-D244 PolarHBondContact O-N 3.23Å; D244-R247 PolarHBondContact O-N 3.35Å; D244-R247 IonicContact OD1-CZ 3.73Å; D244-R247 IonicContact OD1-NH1 2.77Å; D244-R247 PolarHBondContact OD1-NH1 2.99Å; D244-R248 PolarHBondContact O-N 2.89Å; D244-Y274 PolarHBondContact N-OH 3.25Å
245	L	83.4	Confident	83.5	Confident	73 Å²	73	69 Å²	69	38%	0.382	39%	0.394	S	S	.	.	H	α-helix	trans	-62.5	-46.7	171.8	-63.4	176.2	0	0	0	111.4	L240 P241 L242 M243 R248 V249	L240-L245 HydrophobicContact CB-CD2 4.06Å; L240-L245 HydrophobicContact CB-CG 4.12Å; L240-L245 HydrophobicContact CD1-CD2 3.91Å; P241-L245 PolarHBondContact O-N 2.98Å; L242-L245 PolarHBondContact O-N 2.9Å; M243-L245 VanDerWaalsContact C-N 3.28Å; M243-L245 PolarHBondContact O-N 2.81Å; L245-R248 PolarHBondContact O-N 3.02Å; L245-V249 WeakPolarHBondContact O-CG2 3.46Å; L245-V249 PolarHBondContact O-N 3.14Å
246	C	88.1	Confident	82.8	Confident	68 Å²	68	77.6 Å²	77.6	46%	0.459	43%	0.426	S	S	.	.	H	α-helix	trans	-61.3	-43.8	175.9	-72.1	0	0	0	0	112	L242 M243 R248 V249 A250	L242-C246 WeakPolarHBondContact O-CB 3.35Å; L242-C246 PolarHBondContact O-N 2.91Å; L242-C246 PolarHBondContact O-SG 3.23Å; M243-C246 CarbonylContact O-C 3.59Å; M243-C246 WeakPolarHBondContact O-CA 3.31Å; M243-C246 WeakPolarHBondContact O-CB 3.38Å; M243-C246 PolarHBondContact O-N 2.69Å; C246-R248 VanDerWaalsContact C-N 3.3Å; C246-R248 PolarHBondContact O-N 2.7Å; C246-V249 PolarHBondContact O-N 3.39Å; C246-A250 WeakPolarHBondContact O-CB 3.4Å; C246-A250 PolarHBondContact O-N 2.7Å
247	R	89.1	Confident	82.5	Confident	32 Å²	32	81.4 Å²	81.4	12%	0.121	44%	0.44	C	S	.	.	H	α-helix	trans	-55.4	-48.2	174.8	-168.1	-172.6	-76.1	136.2	-13.1	110.8	M243 D244 A250 R251 Y274 L275 Y277	M243-R247 PolarHBondContact O-N 2.9Å; D244-R247 PolarHBondContact O-N 3.35Å; D244-R247 IonicContact OD1-CZ 3.73Å; D244-R247 IonicContact OD1-NH1 2.77Å; D244-R247 PolarHBondContact OD1-NH1 2.99Å; R247-A250 PolarHBondContact O-N 3.03Å; R247-R251 WeakPolarHBondContact O-CB 3.4Å; R247-R251 WeakPolarHBondContact O-CG 3.27Å; R247-R251 PolarHBondContact O-N 2.66Å; R247-Y274 HydrophobicContact CB-CD1 4.49Å; R247-Y274 HydrophobicContact CB-CE1 3.53Å; R247-Y274 WeakPolarHBondContact CB-OH 3.27Å; R247-Y274 WeakPolarHBondContact CD-O 3.45Å; R247-Y274 HydrophobicContact CG-CD1 4.4Å; R247-Y274 HydrophobicContact CG-CE1 3.86Å; R247-Y274 PolarHBondContact NE-O 3.28Å; R247-Y274 VanDerWaalsContact NH2-CD2 3.25Å; R247-L275 HydrophobicContact CG-CD2 4.16Å; R247-Y277 VanDerWaalsContact CD-CZ 3.45Å; R247-Y277 VanDerWaalsContact NH1-CE1 3.31Å
248	R	82.9	Confident	82.7	Confident	47 Å²	47	85.2 Å²	85.2	18%	0.177	45%	0.448	C	S	.	.	H	α-helix	trans	-61.2	-51.7	-179.8	177.1	173.4	178.3	-95.4	2.3	111.3	D39 L40 D244 L245 C246 A250 R251 L252	D39-R248 IonicContact OD2-NH2 3.52Å; L40-R248 HydrophobicContact CD1-CB 3.89Å; L40-R248 HydrophobicContact CD1-CG 4.23Å; D244-R248 PolarHBondContact O-N 2.89Å; L245-R248 PolarHBondContact O-N 3.02Å; C246-R248 VanDerWaalsContact C-N 3.3Å; C246-R248 PolarHBondContact O-N 2.7Å; R248-A250 VanDerWaalsContact C-N 3.27Å; R248-A250 PolarHBondContact O-N 3.22Å; R248-R251 PolarHBondContact O-N 3Å; R248-R251 VanDerWaalsContact O-N 3.16Å; R248-L252 HydrophobicContact CG-CD1 3.87Å; R248-L252 HydrophobicContact CG-CG 4.26Å; R248-L252 WeakPolarHBondContact O-CB 3.42Å; R248-L252 WeakPolarHBondContact O-CG 3.47Å; R248-L252 PolarHBondContact O-N 3.42Å
249	V	86.4	Confident	83	Confident	94 Å²	94	80.7 Å²	80.7	57%	0.57	43%	0.427	S	S	*	.	H	α-helix	trans	-58.4	-42.6	-179.2	173.4	0	0	0	0	110.8	L245 C246 L252 A253	L245-V249 WeakPolarHBondContact O-CG2 3.46Å; L245-V249 PolarHBondContact O-N 3.14Å; C246-V249 PolarHBondContact O-N 3.39Å; V249-L252 PolarHBondContact O-N 2.79Å; V249-A253 WeakPolarHBondContact O-CB 3.07Å; V249-A253 PolarHBondContact O-N 2.81Å
250	A	87.9	Confident	83.7	Confident	36 Å²	36	82.2 Å²	82.2	30%	0.298	42%	0.423	S	S	.	.	H	α-helix	trans	-62.8	-46	175.7	0	0	0	0	0	112.6	C246 R247 R248 L252 A253 L254 L275	C246-A250 WeakPolarHBondContact O-CB 3.4Å; C246-A250 PolarHBondContact O-N 2.7Å; R247-A250 PolarHBondContact O-N 3.03Å; R248-A250 VanDerWaalsContact C-N 3.27Å; R248-A250 PolarHBondContact O-N 3.22Å; A250-L252 PolarHBondContact O-N 2.85Å; A250-A253 PolarHBondContact O-N 3.01Å; A250-L254 WeakPolarHBondContact O-CG 3.31Å; A250-L254 PolarHBondContact O-N 3.46Å; A250-L275 HydrophobicContact CB-CD2 3.62Å
251	R	88.2	Confident	84.4	Confident	44 Å²	44	85.2 Å²	85.2	17%	0.166	44%	0.436	C	S	.	.	H	α-helix	trans	-64.5	-38.3	177.6	-73.4	175.6	68.5	88.5	-2.7	112.5	R247 R248 L254 G255 I259 L275	R247-R251 WeakPolarHBondContact O-CB 3.4Å; R247-R251 WeakPolarHBondContact O-CG 3.27Å; R247-R251 PolarHBondContact O-N 2.66Å; R248-R251 PolarHBondContact O-N 3Å; R248-R251 VanDerWaalsContact O-N 3.16Å; R251-L254 PolarHBondContact O-N 3.16Å; R251-G255 PolarHBondContact O-N 3.49Å; R251-I259 HydrophobicContact CB-CD1 4.27Å; R251-I259 HydrophobicContact CG-CD1 4.4Å; R251-L275 WeakPolarHBondContact CD-O 3.45Å; R251-L275 PolarHBondContact NH1-O 3.09Å
252	L	83	Confident	84.9	Confident	93 Å²	93	81.7 Å²	81.7	49%	0.487	41%	0.413	S	S	.	.	H	α-helix	trans	-65	-43.5	174.1	-74.3	174.2	0	0	0	111.7	R248 V249 A250 L254 G255	R248-L252 HydrophobicContact CG-CD1 3.87Å; R248-L252 HydrophobicContact CG-CG 4.26Å; R248-L252 WeakPolarHBondContact O-CB 3.42Å; R248-L252 WeakPolarHBondContact O-CG 3.47Å; R248-L252 PolarHBondContact O-N 3.42Å; V249-L252 PolarHBondContact O-N 2.79Å; A250-L252 PolarHBondContact O-N 2.85Å; L252-L254 VanDerWaalsContact C-N 3.3Å; L252-L254 PolarHBondContact O-N 2.85Å; L252-G255 PolarHBondContact O-N 3.03Å; L252-G255 VanDerWaalsContact O-N 3.16Å
253	A	86.4	Confident	85.2	Confident	71 Å²	71	79.1 Å²	79.1	59%	0.587	40%	0.397	S	S	*	.	H	α-helix	trans	-63.9	-35.9	176.9	0	0	0	0	0	112.3	V249 A250 R258	V249-A253 WeakPolarHBondContact O-CB 3.07Å; V249-A253 PolarHBondContact O-N 2.81Å; A250-A253 PolarHBondContact O-N 3.01Å; A253-R258 PolarHBondContact O-NH2 3.38Å
254	L	86.5	Confident	85.5	Confident	29 Å²	29	78.4 Å²	78.4	15%	0.152	40%	0.4	C	S	.	.	H	α-helix	trans	-66.2	-43.6	171.4	-71.7	168	0	0	0	111.2	A250 R251 L252 R258 I262 L265	A250-L254 WeakPolarHBondContact O-CG 3.31Å; A250-L254 PolarHBondContact O-N 3.46Å; R251-L254 PolarHBondContact O-N 3.16Å; L252-L254 VanDerWaalsContact C-N 3.3Å; L252-L254 PolarHBondContact O-N 2.85Å; L254-R258 VanDerWaalsContact O-CZ 3.3Å; L254-R258 PolarHBondContact O-NE 2.72Å; L254-R258 PolarHBondContact O-NH2 2.91Å; L254-I262 HydrophobicContact CD1-CD1 4.34Å; L254-I262 HydrophobicContact CD1-CG1 3.84Å; L254-L265 HydrophobicContact CD1-CD1 4.15Å; L254-L265 HydrophobicContact CD2-CD1 4.03Å; L254-L265 HydrophobicContact CD2-CD2 4.24Å
255	G	81.6	Confident	85.9	Confident	27 Å²	27	78.3 Å²	78.3	28%	0.278	40%	0.399	S	S	.	.			trans	76.1	163.4	-173.1	0	0	0	0	0	112.1	R251 L252 E257 R258 I259	R251-G255 PolarHBondContact O-N 3.49Å; L252-G255 PolarHBondContact O-N 3.03Å; L252-G255 VanDerWaalsContact O-N 3.16Å; G255-E257 VanDerWaalsContact C-N 3.33Å; G255-E257 PolarHBondContact O-N 2.78Å; G255-R258 PolarHBondContact O-N 3.11Å; G255-I259 PolarHBondContact O-N 2.7Å
256	R	78.1	Confident	86.3	Confident	193 Å²	193	81.1 Å²	81.1	73%	0.728	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-59.9	-40.4	-173.3	-68.7	-176.9	176.8	-175.3	-3	113.1	R258 I259	R256-R258 VanDerWaalsContact C-N 3.29Å; R256-R258 PolarHBondContact O-N 3.03Å; R256-I259 PolarHBondContact O-N 2.78Å
257	E	81.7	Confident	86.6	Confident	168 Å²	168	81 Å²	81	79%	0.785	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-62.3	-32.8	-178.1	-58.1	-56.7	140.9	0	0	113.5	G255	G255-E257 VanDerWaalsContact C-N 3.33Å; G255-E257 PolarHBondContact O-N 2.78Å
258	R	83.3	Confident	86.9	Confident	138 Å²	138	83.4 Å²	83.4	52%	0.521	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-103.5	0.8	-174.4	-60.1	-177.9	-65.9	-175.5	0.1	113.4	A253 L254 G255 R256 H260 H261	A253-R258 PolarHBondContact O-NH2 3.38Å; L254-R258 VanDerWaalsContact O-CZ 3.3Å; L254-R258 PolarHBondContact O-NE 2.72Å; L254-R258 PolarHBondContact O-NH2 2.91Å; G255-R258 PolarHBondContact O-N 3.11Å; R256-R258 VanDerWaalsContact C-N 3.29Å; R256-R258 PolarHBondContact O-N 3.03Å; R258-H260 PolarHBondContact O-N 2.86Å; R258-H261 WeakPolarHBondContact O-CB 3.26Å; R258-H261 PolarHBondContact O-N 2.94Å
259	I	83.1	Confident	87.4	Confident	34 Å²	34	85.5 Å²	85.5	17%	0.174	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-64.2	-30.1	-179.4	-126	158.5	0	0	0	111.3	R251 G255 R256 H261 I262	R251-I259 HydrophobicContact CB-CD1 4.27Å; R251-I259 HydrophobicContact CG-CD1 4.4Å; G255-I259 PolarHBondContact O-N 2.7Å; R256-I259 PolarHBondContact O-N 2.78Å; I259-H261 PolarHBondContact O-N 3.01Å; I259-I262 HydrophobicContact CG1-CD1 4.08Å; I259-I262 WeakPolarHBondContact O-CD1 3.5Å; I259-I262 WeakPolarHBondContact O-CG1 3.38Å; I259-I262 PolarHBondContact O-N 3.24Å
260	H	84.3	Confident	87.7	Confident	157 Å²	157	86.4 Å²	86.4	73%	0.727	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-72.8	-12.8	175.1	-56	-66.7	0	0	0	113	R258	R258-H260 PolarHBondContact O-N 2.86Å
261	H	87.5	Confident	87.8	Confident	107 Å²	107	88.7 Å²	88.7	50%	0.495	46%	0.461	S	S	.	.	G	3₁₀ helix	trans	-97.1	13.2	178.4	-58.3	169.8	0	0	0	112.6	R258 I259 E263 T264	R258-H261 WeakPolarHBondContact O-CB 3.26Å; R258-H261 PolarHBondContact O-N 2.94Å; I259-H261 PolarHBondContact O-N 3.01Å; H261-E263 PolarHBondContact O-N 3.49Å; H261-E263 VanDerWaalsContact O-N 3.15Å; H261-T264 PolarHBondContact O-N 3.21Å; H261-T264 PolarHBondContact O-OG1 3.13Å
262	I	90	Very high	88	Confident	1 Å²	1	87.9 Å²	87.9	1%	0.005	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-55.3	-34.7	176.8	-72.5	165.6	0	0	0	111	L254 I259 T264 L265 K272 L275 Q276	L254-I262 HydrophobicContact CD1-CD1 4.34Å; L254-I262 HydrophobicContact CD1-CG1 3.84Å; I259-I262 HydrophobicContact CG1-CD1 4.08Å; I259-I262 WeakPolarHBondContact O-CD1 3.5Å; I259-I262 WeakPolarHBondContact O-CG1 3.38Å; I259-I262 PolarHBondContact O-N 3.24Å; I262-T264 PolarHBondContact O-N 2.77Å; I262-L265 HydrophobicContact CB-CD1 4.49Å; I262-L265 HydrophobicContact CG1-CD1 4.41Å; I262-L265 HydrophobicContact CG2-CD1 4.48Å; I262-L265 WeakPolarHBondContact O-CB 3.43Å; I262-L265 PolarHBondContact O-N 2.82Å; I262-L265 VanDerWaalsContact O-N 3.15Å; I262-K272 HydrophobicContact CG2-CB 3.92Å; I262-K272 HydrophobicContact CG2-CG 4.13Å; I262-L275 HydrophobicContact CD1-CB 4.02Å; I262-L275 HydrophobicContact CG2-CB 4.2Å; I262-L275 HydrophobicContact CG2-CD1 4.39Å; I262-Q276 HydrophobicContact CB-CG 4.28Å; I262-Q276 HydrophobicContact CD1-CG 3.82Å; I262-Q276 HydrophobicContact CG2-CG 4.08Å
263	E	89.9	Confident	88.4	Confident	78 Å²	78	85.7 Å²	85.7	36%	0.364	45%	0.447	S	S	.	.	G	3₁₀ helix	trans	-63.8	-24.2	177.1	-68.9	-56.2	147.9	0	0	114.2	H261 Q269 K272 Q276	H261-E263 PolarHBondContact O-N 3.49Å; H261-E263 VanDerWaalsContact O-N 3.15Å; E263-Q269 PolarHBondContact OE1-NE2 3.48Å; E263-Q269 PolarHBondContact OE2-NE2 3.31Å; E263-K272 WeakPolarHBondContact O-CE 3.24Å; E263-K272 PolarHBondContact O-NZ 3.25Å; E263-Q276 PolarHBondContact OE1-NE2 3.04Å
264	T	90.9	Very high	88.5	Confident	109 Å²	109	84.3 Å²	84.3	67%	0.669	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-87.7	-6.1	178.6	72.4	0	0	0	0	112.9	H261 I262	H261-T264 PolarHBondContact O-N 3.21Å; H261-T264 PolarHBondContact O-OG1 3.13Å; I262-T264 PolarHBondContact O-N 2.77Å
265	L	90.8	Very high	88.7	Confident	45 Å²	45	83.5 Å²	83.5	24%	0.236	42%	0.423	C	S	.	.	S	Bend	trans	-70.6	144.2	-179.8	-63.3	174.4	0	0	0	110.7	L254 I262 L267 K272	L254-L265 HydrophobicContact CD1-CD1 4.15Å; L254-L265 HydrophobicContact CD2-CD1 4.03Å; L254-L265 HydrophobicContact CD2-CD2 4.24Å; I262-L265 HydrophobicContact CB-CD1 4.49Å; I262-L265 HydrophobicContact CG1-CD1 4.41Å; I262-L265 HydrophobicContact CG2-CD1 4.48Å; I262-L265 WeakPolarHBondContact O-CB 3.43Å; I262-L265 PolarHBondContact O-N 2.82Å; I262-L265 VanDerWaalsContact O-N 3.15Å; L265-L267 HydrophobicContact CB-CB 4.44Å; L265-L267 HydrophobicContact CB-CD1 3.98Å; L265-L267 HydrophobicContact CB-CG 3.97Å; L265-L267 HydrophobicContact CD1-CD1 3.88Å; L265-L267 PolarHBondContact O-N 3.05Å; L265-K272 WeakPolarHBondContact O-CE 3.48Å; L265-K272 PolarHBondContact O-NZ 3.32Å
266	P	93.6	Very high	89	Confident	132 Å²	132	84.9 Å²	84.9	86%	0.857	42%	0.422	S	S	*	.	S	Bend	trans	-76.3	54.3	175.2	34.6	-36.7	0	0	0	110.9
267	L	93.4	Very high	89.3	Confident	65 Å²	65	78.6 Å²	78.6	34%	0.34	40%	0.399	S	S	.	.	S	Bend	trans	-117.3	149.2	-179.4	-63.2	176.3	0	0	0	110.2	L265 L271 K272 L275	L265-L267 HydrophobicContact CB-CB 4.44Å; L265-L267 HydrophobicContact CB-CD1 3.98Å; L265-L267 HydrophobicContact CB-CG 3.97Å; L265-L267 HydrophobicContact CD1-CD1 3.88Å; L265-L267 PolarHBondContact O-N 3.05Å; L267-L271 HydrophobicContact CB-CB 4.37Å; L267-K272 HydrophobicContact CB-CG 4.26Å; L267-K272 WeakPolarHBondContact O-CE 3.4Å; L267-L275 HydrophobicContact CD1-CD1 3.94Å
268	P	95.8	Very high	89.3	Confident	83 Å²	83	78.5 Å²	78.5	54%	0.539	40%	0.398	S	S	.	.			trans	-54.4	147	168.8	-25.1	33.6	0	0	0	112.5	T270 L271 K272	P268-T270 PolarHBondContact O-N 3.5Å; P268-T270 VanDerWaalsContact O-N 3.17Å; P268-L271 PolarHBondContact O-N 3.12Å; P268-K272 PolarHBondContact O-N 3.1Å; P268-K272 VanDerWaalsContact O-N 3.14Å
269	Q	92.8	Very high	89.6	Confident	92 Å²	92	75.6 Å²	75.6	43%	0.43	39%	0.392	S	S	.	.	H	α-helix	trans	-56	-37.5	-178.1	-166	62	40.2	0	0	112.4	E263 L271 K272 N273	E263-Q269 PolarHBondContact OE1-NE2 3.48Å; E263-Q269 PolarHBondContact OE2-NE2 3.31Å; Q269-L271 VanDerWaalsContact C-N 3.27Å; Q269-L271 PolarHBondContact O-N 2.79Å; Q269-K272 WeakPolarHBondContact O-CB 3.29Å; Q269-K272 PolarHBondContact O-N 3.33Å; Q269-K272 VanDerWaalsContact O-N 3.08Å; Q269-N273 PolarHBondContact NE2-OD1 3.37Å; Q269-N273 VanDerWaalsContact O-CG 3.31Å; Q269-N273 PolarHBondContact O-N 3.39Å; Q269-N273 PolarHBondContact O-OD1 3.08Å
270	T	92.6	Very high	89.9	Confident	113 Å²	113	77.7 Å²	77.7	69%	0.693	40%	0.404	S	S	*	.	H	α-helix	trans	-58.1	-39.1	176.6	-39.4	0	0	0	0	112.3	P268 Y274	P268-T270 PolarHBondContact O-N 3.5Å; P268-T270 VanDerWaalsContact O-N 3.17Å; T270-Y274 WeakPolarHBondContact O-CB 3.09Å; T270-Y274 PolarHBondContact O-N 3.18Å
271	L	91	Very high	90.2	Very high	84 Å²	84	73.3 Å²	73.3	44%	0.44	39%	0.386	S	S	.	.	H	α-helix	trans	-74.7	-32.9	176.4	-67.9	-173.8	0	0	0	112	L267 P268 Q269 Y274 L275	L267-L271 HydrophobicContact CB-CB 4.37Å; P268-L271 PolarHBondContact O-N 3.12Å; Q269-L271 VanDerWaalsContact C-N 3.27Å; Q269-L271 PolarHBondContact O-N 2.79Å; L271-Y274 WeakPolarHBondContact O-CB 3.29Å; L271-L275 WeakPolarHBondContact O-CB 3.43Å; L271-L275 VanDerWaalsContact O-CG 3.23Å; L271-L275 WeakPolarHBondContact O-CG 3.36Å; L271-L275 PolarHBondContact O-N 2.91Å
272	K	92.2	Very high	90.4	Very high	27 Å²	27	71.4 Å²	71.4	12%	0.117	38%	0.379	C	S	.	.	H	α-helix	trans	-64.4	-48.2	174.1	-66.5	176.8	173.9	178.7	0	111.5	I262 E263 L265 L267 P268 Q269 Y274 L275 Q276	I262-K272 HydrophobicContact CG2-CB 3.92Å; I262-K272 HydrophobicContact CG2-CG 4.13Å; E263-K272 WeakPolarHBondContact O-CE 3.24Å; E263-K272 PolarHBondContact O-NZ 3.25Å; L265-K272 WeakPolarHBondContact O-CE 3.48Å; L265-K272 PolarHBondContact O-NZ 3.32Å; L267-K272 HydrophobicContact CB-CG 4.26Å; L267-K272 WeakPolarHBondContact O-CE 3.4Å; P268-K272 PolarHBondContact O-N 3.1Å; P268-K272 VanDerWaalsContact O-N 3.14Å; Q269-K272 WeakPolarHBondContact O-CB 3.29Å; Q269-K272 PolarHBondContact O-N 3.33Å; Q269-K272 VanDerWaalsContact O-N 3.08Å; K272-Y274 VanDerWaalsContact C-N 3.34Å; K272-L275 PolarHBondContact O-N 2.85Å; K272-Q276 WeakPolarHBondContact O-CG 3.29Å; K272-Q276 PolarHBondContact O-N 2.65Å; K272-Q276 VanDerWaalsContact O-N 3.09Å; K272-Q276 PolarHBondContact O-NE2 3.34Å
273	N	90.1	Very high	90.4	Very high	47 Å²	47	75.8 Å²	75.8	25%	0.251	40%	0.403	S	S	.	.	H	α-helix	trans	-61	-46.8	175.9	-66.7	10.5	0	0	0	110.2	Q269 L275 Q276 Y277 Q278	Q269-N273 PolarHBondContact NE2-OD1 3.37Å; Q269-N273 VanDerWaalsContact O-CG 3.31Å; Q269-N273 PolarHBondContact O-N 3.39Å; Q269-N273 PolarHBondContact O-OD1 3.08Å; N273-L275 VanDerWaalsContact C-N 3.32Å; N273-L275 PolarHBondContact O-N 2.86Å; N273-Q276 CarbonylContact O-C 3.47Å; N273-Q276 WeakPolarHBondContact O-CA 3.47Å; N273-Q276 PolarHBondContact O-N 2.9Å; N273-Y277 PolarHBondContact O-N 2.93Å; N273-Q278 CarbonylContact C-O 3.52Å; N273-Q278 HydrophobicContact CB-CB 4.01Å; N273-Q278 WeakPolarHBondContact CB-O 3.49Å; N273-Q278 PolarHBondContact O-N 2.97Å
274	Y	90.1	Very high	90.4	Very high	41 Å²	41	75.6 Å²	75.6	16%	0.161	41%	0.405	C	S	.	.	H	α-helix	trans	-53.2	-47	174.5	177.4	-100.3	0	0	0	112.5	M243 D244 R247 T270 L271 K272 Q276 Y277	M243-Y274 WeakPolarHBondContact CA-OH 3.35Å; M243-Y274 HydrophobicContact CB-CE2 4.33Å; M243-Y274 WeakPolarHBondContact CB-OH 3.44Å; M243-Y274 HydrophobicContact CE-CD2 4.14Å; M243-Y274 HydrophobicContact CE-CE2 3.63Å; M243-Y274 PolarHBondContact O-OH 3.18Å; D244-Y274 PolarHBondContact N-OH 3.25Å; R247-Y274 HydrophobicContact CB-CD1 4.49Å; R247-Y274 HydrophobicContact CB-CE1 3.53Å; R247-Y274 WeakPolarHBondContact CB-OH 3.27Å; R247-Y274 WeakPolarHBondContact CD-O 3.45Å; R247-Y274 HydrophobicContact CG-CD1 4.4Å; R247-Y274 HydrophobicContact CG-CE1 3.86Å; R247-Y274 PolarHBondContact NE-O 3.28Å; R247-Y274 VanDerWaalsContact NH2-CD2 3.25Å; T270-Y274 WeakPolarHBondContact O-CB 3.09Å; T270-Y274 PolarHBondContact O-N 3.18Å; L271-Y274 WeakPolarHBondContact O-CB 3.29Å; K272-Y274 VanDerWaalsContact C-N 3.34Å; Y274-Q276 PolarHBondContact O-N 2.74Å; Y274-Y277 PolarHBondContact O-N 3.37Å
275	L	90	Very high	90.4	Very high	12 Å²	12	73.2 Å²	73.2	6%	0.063	39%	0.386	C	S	.	.	H	α-helix	trans	-67.5	-23.2	177.5	-70.9	173.4	0	0	0	112.9	R247 A250 R251 I262 L267 L271 K272 N273	R247-L275 HydrophobicContact CG-CD2 4.16Å; A250-L275 HydrophobicContact CB-CD2 3.62Å; R251-L275 WeakPolarHBondContact CD-O 3.45Å; R251-L275 PolarHBondContact NH1-O 3.09Å; I262-L275 HydrophobicContact CD1-CB 4.02Å; I262-L275 HydrophobicContact CG2-CB 4.2Å; I262-L275 HydrophobicContact CG2-CD1 4.39Å; L267-L275 HydrophobicContact CD1-CD1 3.94Å; L271-L275 WeakPolarHBondContact O-CB 3.43Å; L271-L275 VanDerWaalsContact O-CG 3.23Å; L271-L275 WeakPolarHBondContact O-CG 3.36Å; L271-L275 PolarHBondContact O-N 2.91Å; K272-L275 PolarHBondContact O-N 2.85Å; N273-L275 VanDerWaalsContact C-N 3.32Å; N273-L275 PolarHBondContact O-N 2.86Å
276	Q	87.8	Confident	90.4	Very high	56 Å²	56	75.4 Å²	75.4	26%	0.262	40%	0.398	S	S	.	.	H	α-helix	trans	-95.1	-2.1	179.9	-72.1	177.6	69.3	0	0	114.5	I262 E263 K272 N273 Y274 Q278	I262-Q276 HydrophobicContact CB-CG 4.28Å; I262-Q276 HydrophobicContact CD1-CG 3.82Å; I262-Q276 HydrophobicContact CG2-CG 4.08Å; E263-Q276 PolarHBondContact OE1-NE2 3.04Å; K272-Q276 WeakPolarHBondContact O-CG 3.29Å; K272-Q276 PolarHBondContact O-N 2.65Å; K272-Q276 VanDerWaalsContact O-N 3.09Å; K272-Q276 PolarHBondContact O-NE2 3.34Å; N273-Q276 CarbonylContact O-C 3.47Å; N273-Q276 WeakPolarHBondContact O-CA 3.47Å; N273-Q276 PolarHBondContact O-N 2.9Å; Y274-Q276 PolarHBondContact O-N 2.74Å; Q276-Q278 VanDerWaalsContact C-N 3.3Å; Q276-Q278 HydrophobicContact CB-CG 4.04Å
277	Y	84.7	Confident	90.1	Very high	61 Å²	61	70.7 Å²	70.7	24%	0.239	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	37	-169.7	-57.9	-90.2	0	0	0	113.1	D43 P45 R247 N273 Y274	D43-Y277 PolarHBondContact O-OH 3.4Å; P45-Y277 VanDerWaalsContact CD-CD1 3.45Å; P45-Y277 HydrophobicContact CG-CD1 3.66Å; P45-Y277 HydrophobicContact CG-CD2 4.13Å; P45-Y277 HydrophobicContact CG-CE1 4.28Å; P45-Y277 HydrophobicContact CG-CG 3.57Å; R247-Y277 VanDerWaalsContact CD-CZ 3.45Å; R247-Y277 VanDerWaalsContact NH1-CE1 3.31Å; N273-Y277 PolarHBondContact O-N 2.93Å; Y274-Y277 PolarHBondContact O-N 3.37Å
278	Q	80.6	Confident	89.8	Confident	167 Å²	167	71.2 Å²	71.2	78%	0.78	36%	0.361	S	S	*	.			trans	-108.4	0	173.8	-65.5	176.9	-0.4	0	0	111.4	N273 Q276	N273-Q278 CarbonylContact C-O 3.52Å; N273-Q278 HydrophobicContact CB-CB 4.01Å; N273-Q278 WeakPolarHBondContact CB-O 3.49Å; N273-Q278 PolarHBondContact O-N 2.97Å; Q276-Q278 VanDerWaalsContact C-N 3.3Å; Q276-Q278 HydrophobicContact CB-CG 4.04Å

Retrieved 278 of 278 residues in 302.7 ms (Link to these results)

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