A0A061I2Z8_CRIGR Loading...

Complement factor D

Serine protease that initiates the alternative pathway of the complement system, a cascade of proteins that leads to phagocytosis and breakdown of pathogens and signaling that strengthens the adaptive immune system. In contrast to other complement pathways (classical, lectin and GZMK) that are directly activated by pathogens or antigen-antibody complexes, the alternative complement pathway is initiated by the spontaneous hydrolysis of complement C3. The alternative complement pathway acts as an amplification loop that enhances complement activation by mediating the formation of C3 and C5 convertases. Activated CFD cleaves factor B (CFB) when the latter is complexed with complement C3b, activating the C3 convertase of the alternative pathway.

AlphaFold DB , UniProt , Accession A0A061I2Z8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Cfd, Length 259 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	41.5	Very low	46	Very low	243 Å²	243	148.6 Å²	148.6	100%	1.197	82%	0.816	S	S	*	*				0	123.1	0	-69	168.6	94.1	0	0	107.2
2	H	40.5	Very low	46.4	Very low	190 Å²	190	147 Å²	147	88%	0.88	81%	0.813	S	S	*	*			trans	-64.5	137.7	-168.1	-67.6	-80.8	0	0	0	112.6
3	S	40.4	Very low	46.8	Very low	115 Å²	115	147.8 Å²	147.8	80%	0.804	81%	0.814	S	S	*	*			trans	-130.4	100	159.2	-154.6	0	0	0	0	108.2
4	S	46.3	Very low	47	Very low	95 Å²	95	142 Å²	142	66%	0.664	81%	0.805	S	S	*	*			trans	-83.6	108.4	178.5	-56	0	0	0	0	108.6
5	V	47.2	Very low	47.3	Very low	122 Å²	122	138.4 Å²	138.4	74%	0.739	80%	0.8	S	S	*	*			trans	-88.8	107.9	171.7	-177.5	0	0	0	0	108
6	W	47.7	Very low	47.6	Very low	229 Å²	229	136.2 Å²	136.2	87%	0.867	80%	0.803	S	S	*	*			trans	-83.5	108	170.8	-76.6	85.5	0	0	0	109.3
7	L	46.7	Very low	47.6	Very low	161 Å²	161	136.2 Å²	136.2	84%	0.843	80%	0.804	S	S	*	*			trans	-90	102.8	166.5	-87.6	154.4	0	0	0	108.5	A9	L7-A9 PolarHBondContact O-N 3.26Å
8	V	49.9	Very low	47.2	Very low	120 Å²	120	132.3 Å²	132.3	73%	0.727	80%	0.798	S	S	*	*			trans	-76.6	109.5	169.4	177.8	0	0	0	0	107.8	L10	V8-L10 PolarHBondContact O-N 3.36Å
9	A	47.6	Very low	47	Very low	90 Å²	90	130 Å²	130	74%	0.744	79%	0.794	S	S	*	*			trans	-76.4	104.1	171.1	0	0	0	0	0	109.5	L7 V11	L7-A9 PolarHBondContact O-N 3.26Å; A9-V11 PolarHBondContact O-N 3.17Å; A9-V11 VanDerWaalsContact O-N 3.17Å
10	L	46.6	Very low	46.8	Very low	158 Å²	158	128.3 Å²	128.3	83%	0.827	79%	0.794	S	S	*	*			trans	-75	96.8	168.6	-97	156.1	0	0	0	109.1	V8 V12	V8-L10 PolarHBondContact O-N 3.36Å; L10-V12 PolarHBondContact O-N 3.19Å
11	V	51.7	Low	46.4	Very low	112 Å²	112	129 Å²	129	68%	0.679	79%	0.788	S	S	*	*			trans	-77.5	98.3	168.9	-179.5	0	0	0	0	107.9	A9 L13	A9-V11 PolarHBondContact O-N 3.17Å; A9-V11 VanDerWaalsContact O-N 3.17Å; V11-L13 HydrophobicContact CG1-CD1 4.04Å; V11-L13 PolarHBondContact O-N 3.01Å; V11-L13 VanDerWaalsContact O-N 3.13Å
12	V	51.2	Low	46.2	Very low	129 Å²	129	122.5 Å²	122.5	78%	0.782	76%	0.764	S	S	*	*			trans	-76.4	95.8	168.8	-178.9	0	0	0	0	107.5	L10 G14	L10-V12 PolarHBondContact O-N 3.19Å; V12-G14 VanDerWaalsContact C-N 3.35Å; V12-G14 PolarHBondContact O-N 3.13Å
13	L	51.1	Low	46.3	Very low	157 Å²	157	124.9 Å²	124.9	82%	0.822	77%	0.765	S	S	*	*			trans	-68.3	96.1	165.3	-93.5	116.2	0	0	0	108.3	V11 A15	V11-L13 HydrophobicContact CG1-CD1 4.04Å; V11-L13 PolarHBondContact O-N 3.01Å; V11-L13 VanDerWaalsContact O-N 3.13Å; L13-A15 PolarHBondContact O-N 3.04Å
14	G	49.2	Very low	46	Very low	67 Å²	67	119.9 Å²	119.9	69%	0.691	73%	0.732	S	S	*	*			trans	-62.6	104.9	166.8	0	0	0	0	0	109.3	V12 A16	V12-G14 VanDerWaalsContact C-N 3.35Å; V12-G14 PolarHBondContact O-N 3.13Å; G14-A16 PolarHBondContact O-N 3Å
15	A	51.7	Low	46.2	Very low	88 Å²	88	119.4 Å²	119.4	73%	0.727	72%	0.716	S	S	*	*			trans	-66.4	101.4	167	0	0	0	0	0	107.8	L13 V17	L13-A15 PolarHBondContact O-N 3.04Å; A15-V17 VanDerWaalsContact C-N 3.34Å; A15-V17 PolarHBondContact O-N 2.93Å
16	A	52	Low	46.9	Very low	103 Å²	103	113.6 Å²	113.6	85%	0.851	68%	0.68	S	S	*	*			trans	-64.2	99.4	166.8	0	0	0	0	0	107.5	G14 G18	G14-A16 PolarHBondContact O-N 3Å; A16-G18 PolarHBondContact O-N 2.95Å
17	V	47.6	Very low	48.3	Very low	136 Å²	136	103.2 Å²	103.2	82%	0.824	64%	0.642	S	S	*	*			trans	-67.7	90.3	168.9	-177.1	0	0	0	0	106.3	A15 A19	A15-V17 VanDerWaalsContact C-N 3.34Å; A15-V17 PolarHBondContact O-N 2.93Å; V17-A19 PolarHBondContact O-N 2.85Å
18	G	40.3	Very low	49.9	Very low	67 Å²	67	97.5 Å²	97.5	69%	0.691	62%	0.621	S	S	*	*			trans	-60	104.4	166	0	0	0	0	0	107.2	A16 A20	A16-G18 PolarHBondContact O-N 2.95Å; G18-A20 VanDerWaalsContact C-N 3.32Å; G18-A20 PolarHBondContact O-N 2.81Å
19	A	43.1	Very low	51.7	Low	88 Å²	88	92.1 Å²	92.1	73%	0.727	59%	0.59	S	S	*	*			trans	-56.6	100.5	170.8	0	0	0	0	0	107.6	V17 Q21	V17-A19 PolarHBondContact O-N 2.85Å; A19-Q21 PolarHBondContact O-N 3.2Å
20	A	42.8	Very low	53.9	Low	96 Å²	96	92.9 Å²	92.9	79%	0.793	58%	0.578	S	S	*	*			trans	-62.2	102.9	174.1	0	0	0	0	0	107.2	G18	G18-A20 VanDerWaalsContact C-N 3.32Å; G18-A20 PolarHBondContact O-N 2.81Å
21	Q	39.6	Very low	56.2	Low	144 Å²	144	90.2 Å²	90.2	67%	0.673	56%	0.562	S	S	*	*			trans	-58.4	129.8	176.7	-72.1	-165.8	-11.4	0	0	108.9	A19 R23	A19-Q21 PolarHBondContact O-N 3.2Å; Q21-R23 PolarHBondContact O-N 3.03Å; Q21-R23 VanDerWaalsContact O-N 3.09Å
22	P	37.5	Very low	58.4	Low	106 Å²	106	85 Å²	85	69%	0.688	53%	0.53	S	S	*	.			trans	-62.6	118.7	-176.7	21.4	-29.6	0	0	0	110	G24	P22-G24 PolarHBondContact O-N 2.89Å; P22-G24 VanDerWaalsContact O-N 3.13Å
23	R	41.5	Very low	60.6	Low	239 Å²	239	86.7 Å²	86.7	90%	0.902	53%	0.527	S	S	*	.			trans	-73.5	101	172	-77.3	-179.8	176.1	158.9	-0.6	109.1	Q21 R162	Q21-R23 PolarHBondContact O-N 3.03Å; Q21-R23 VanDerWaalsContact O-N 3.09Å; R23-R162 PolarHBondContact O-NE 3.44Å; R23-R162 PolarHBondContact O-NH1 3.49Å
24	G	35.5	Very low	62.9	Low	10 Å²	10	81.3 Å²	81.3	10%	0.103	51%	0.505	C	S	.	.			trans	169.8	101.1	153.6	0	0	0	0	0	110.1	P22 V157 R162	P22-G24 PolarHBondContact O-N 2.89Å; P22-G24 VanDerWaalsContact O-N 3.13Å; G24-V157 VanDerWaalsContact C-CB 3.42Å; G24-V157 VanDerWaalsContact C-CG2 3.45Å; G24-V157 VanDerWaalsContact CA-CG2 3.4Å; G24-R162 VanDerWaalsContact CA-CZ 3.45Å; G24-R162 PolarHBondContact O-NH1 3.05Å
25	R	50.5	Low	65.1	Low	86 Å²	86	80.2 Å²	80.2	33%	0.325	48%	0.482	S	S	.	.	S	Bend	trans	-127.6	158.2	172.6	-49.7	125	159.2	-129.8	12.6	109	L27 G29 V157 Q168	R25-L27 WeakPolarHBondContact O-CA 3.41Å; R25-L27 PolarHBondContact O-N 3.33Å; R25-L27 VanDerWaalsContact O-N 3.09Å; R25-G29 VanDerWaalsContact CB-O 3.3Å; R25-G29 WeakPolarHBondContact CB-O 3.37Å; R25-G29 WeakPolarHBondContact CD-O 3.49Å; R25-G29 WeakPolarHBondContact CG-O 3.34Å; R25-G29 PolarHBondContact NH1-O 3.16Å; R25-V157 VanDerWaalsContact N-CB 3.29Å; R25-V157 CarbonylContact O-C 3.43Å; R25-V157 WeakPolarHBondContact O-CA 3.41Å; R25-V157 WeakPolarHBondContact O-CB 3.49Å; R25-V157 VanDerWaalsContact O-CG1 3.31Å; R25-V157 WeakPolarHBondContact O-CG1 3.27Å; R25-V157 VanDerWaalsContact O-O 3.06Å; R25-Q168 VanDerWaalsContact CA-OE1 3.22Å
26	I	62.2	Low	67.2	Low	0 Å²	0	79.4 Å²	79.4	0%	0	47%	0.468	C	S	.	.	S	Bend	trans	-37.8	127	168.6	-87.7	170.3	0	0	0	106.4	G28 G29 Q168 L170 D203 D208	I26-G28 CarbonylContact O-C 3.5Å; I26-G28 PolarHBondContact O-N 3.17Å; I26-G29 WeakPolarHBondContact O-CA 3.38Å; I26-G29 PolarHBondContact O-N 3.29Å; I26-Q168 HydrophobicContact CB-CB 3.99Å; I26-Q168 HydrophobicContact CD1-CB 3.81Å; I26-Q168 HydrophobicContact CG1-CB 3.62Å; I26-Q168 HydrophobicContact CG1-CG 4.44Å; I26-L170 HydrophobicContact CG2-CB 3.89Å; I26-L170 HydrophobicContact CG2-CD2 4.08Å; I26-D203 WeakPolarHBondContact CG2-O 3.21Å; I26-D208 WeakPolarHBondContact CD1-OD1 3.34Å
27	L	77.1	Confident	69.4	Low	11 Å²	11	76.1 Å²	76.1	6%	0.058	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-41.4	110.3	-152.8	-163.5	92.2	0	0	0	111.2	R25 R201 R202 D203	R25-L27 WeakPolarHBondContact O-CA 3.41Å; R25-L27 PolarHBondContact O-N 3.33Å; R25-L27 VanDerWaalsContact O-N 3.09Å; L27-R201 CarbonylContact C-O 3.59Å; L27-R202 CarbonylContact O-C 3.59Å; L27-R202 WeakPolarHBondContact O-CA 3.48Å; L27-D203 PolarHBondContact N-O 2.87Å; L27-D203 PolarHBondContact O-N 3.38Å
28	G	79.8	Confident	71.8	Confident	40 Å²	40	71.2 Å²	71.2	41%	0.412	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	5.3	-178.8	0	0	0	0	0	118.7	I26	I26-G28 CarbonylContact O-C 3.5Å; I26-G28 PolarHBondContact O-N 3.17Å
29	G	86.7	Confident	74.6	Confident	7 Å²	7	68.2 Å²	68.2	7%	0.072	37%	0.373	C	S	.	.			trans	-92.8	-147.3	-178.2	0	0	0	0	0	114	R25 I26 K169	R25-G29 VanDerWaalsContact CB-O 3.3Å; R25-G29 WeakPolarHBondContact CB-O 3.37Å; R25-G29 WeakPolarHBondContact CD-O 3.49Å; R25-G29 WeakPolarHBondContact CG-O 3.34Å; R25-G29 PolarHBondContact NH1-O 3.16Å; I26-G29 WeakPolarHBondContact O-CA 3.38Å; I26-G29 PolarHBondContact O-N 3.29Å; G29-K169 WeakPolarHBondContact CA-O 3.2Å
30	Q	93.3	Very high	77.2	Confident	106 Å²	106	64.1 Å²	64.1	50%	0.495	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	162.6	178.1	60.4	-178.4	75	0	0	112.5	A32 Q168 K169	Q30-A32 PolarHBondContact O-N 3.23Å; Q30-Q168 VanDerWaalsContact C-OE1 3.23Å; Q30-Q168 CarbonylContact O-C 3.55Å; Q30-Q168 WeakPolarHBondContact O-CA 3.38Å; Q30-Q168 PolarHBondContact O-OE1 3.35Å; Q30-K169 HydrophobicContact CG-CG 4.07Å; Q30-K169 PolarHBondContact N-O 2.66Å; Q30-K169 PolarHBondContact O-N 3.31Å
31	E	96.9	Very high	79.9	Confident	102 Å²	102	59.6 Å²	59.6	48%	0.477	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	134.1	166.8	177.8	174.8	174.7	0	0	109.4	H84 V166 Q168	E31-H84 IonicContact OE1-CD2 3.97Å; E31-H84 IonicContact OE1-CE1 3.61Å; E31-H84 IonicContact OE1-NE2 2.84Å; E31-H84 PolarHBondContact OE1-NE2 3.01Å; E31-V166 HydrophobicContact CG-CG2 3.83Å; E31-Q168 VanDerWaalsContact N-OE1 3.12Å
32	A	97.3	Very high	82.7	Confident	2 Å²	2	52.7 Å²	52.7	2%	0.017	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-71.7	149.7	172.7	0	0	0	0	0	109.5	Q30 A34 H84 L167 K169	Q30-A32 PolarHBondContact O-N 3.23Å; A32-A34 PolarHBondContact O-N 3.17Å; A32-H84 PolarHBondContact O-CE1 3.3Å; A32-L167 HydrophobicContact CB-CB 4.28Å; A32-L167 HydrophobicContact CB-CD2 4.06Å; A32-L167 HydrophobicContact CB-CG 3.98Å; A32-L167 PolarHBondContact N-O 3.36Å; A32-K169 HydrophobicContact CB-CB 4.2Å; A32-K169 HydrophobicContact CB-CG 4.28Å
33	K	97.8	Very high	85.7	Confident	165 Å²	165	47.7 Å²	47.7	72%	0.717	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-65.8	131.3	168.8	-179.2	178	174.4	-173.8	0	107.8	H35 T36	K33-H35 PolarHBondContact O-N 3Å; K33-T36 HydrophobicContact CB-CG2 3.62Å; K33-T36 HydrophobicContact CD-CG2 3.75Å; K33-T36 HydrophobicContact CG-CG2 3.67Å; K33-T36 PolarHBondContact O-N 3.46Å; K33-T36 PolarHBondContact O-OG1 2.81Å; K33-T36 VanDerWaalsContact O-OG1 3.05Å
34	A	97.7	Very high	88.4	Confident	45 Å²	45	37 Å²	37	37%	0.372	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	131.3	-176.4	0	0	0	0	0	111.5	A32 T36 H84	A32-A34 PolarHBondContact O-N 3.17Å; A34-T36 PolarHBondContact O-N 2.78Å; A34-T36 VanDerWaalsContact O-N 3.16Å; A34-H84 HydrophobicContact CB-CB 3.92Å
35	H	95.6	Very high	91.4	Very high	44 Å²	44	37.2 Å²	37.2	20%	0.204	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	19.3	177.6	-41.9	-74.8	0	0	0	116.6	K33 W37 G82 E90 S92 Y130	K33-H35 PolarHBondContact O-N 3Å; H35-W37 PolarHBondContact O-N 3.06Å; H35-G82 PolarHBondContact CE1-O 2.92Å; H35-G82 PolarHBondContact ND1-O 3.35Å; H35-E90 IonicContact CE1-OE2 3.3Å; H35-E90 PolarHBondContact CE1-OE2 2.84Å; H35-E90 VanDerWaalsContact CE1-OE2 3.3Å; H35-S92 PolarHBondContact CE1-OG 3.39Å; H35-S92 VanDerWaalsContact CE1-OG 3.23Å; H35-Y130 HydrophobicContact CB-CD1 3.33Å; H35-Y130 HydrophobicContact CB-CE1 3.93Å; H35-Y130 HydrophobicContact CB-CG 4.04Å; H35-Y130 AromaticContact CG-CD1 3.82Å
36	T	97.1	Very high	93.6	Very high	71 Å²	71	37.1 Å²	37.1	44%	0.436	20%	0.202	S	C	.	.	S	Bend	trans	-82.3	1.6	170.7	67	0	0	0	0	113.8	K33 A34 P38	K33-T36 HydrophobicContact CB-CG2 3.62Å; K33-T36 HydrophobicContact CD-CG2 3.75Å; K33-T36 HydrophobicContact CG-CG2 3.67Å; K33-T36 PolarHBondContact O-N 3.46Å; K33-T36 PolarHBondContact O-OG1 2.81Å; K33-T36 VanDerWaalsContact O-OG1 3.05Å; A34-T36 PolarHBondContact O-N 2.78Å; A34-T36 VanDerWaalsContact O-N 3.16Å; T36-P38 VanDerWaalsContact C-CD 3.42Å; T36-P38 WeakPolarHBondContact O-CD 3.16Å
37	W	97.9	Very high	95.2	Very high	34 Å²	34	39.2 Å²	39.2	13%	0.129	22%	0.224	C	C	.	.			trans	-123.2	67.6	176.3	-71.9	81	0	0	0	109.6	H35 S39 M40 D150 A152 L167 P212 V214	H35-W37 PolarHBondContact O-N 3.06Å; W37-S39 PolarHBondContact O-N 3.49Å; W37-M40 HydrophobicContact CB-CB 3.89Å; W37-M40 WeakPolarHBondContact O-CB 3.21Å; W37-M40 PolarHBondContact O-N 3.39Å; W37-D150 HydrophobicContact CH2-CB 3.54Å; W37-D150 HydrophobicContact CZ2-CB 3.66Å; W37-A152 HydrophobicContact CD2-CB 3.75Å; W37-A152 HydrophobicContact CE3-CB 3.84Å; W37-A152 HydrophobicContact CG-CB 4.29Å; W37-A152 HydrophobicContact CH2-CB 4.17Å; W37-A152 HydrophobicContact CZ2-CB 4.09Å; W37-A152 HydrophobicContact CZ3-CB 4.03Å; W37-L167 HydrophobicContact CB-CD2 3.9Å; W37-L167 HydrophobicContact CG-CD2 4.15Å; W37-P212 HydrophobicContact CZ3-CG 4.18Å; W37-V214 HydrophobicContact CH2-CB 4.21Å; W37-V214 HydrophobicContact CH2-CG2 4.03Å; W37-V214 HydrophobicContact CZ3-CB 4.26Å; W37-V214 HydrophobicContact CZ3-CG2 3.57Å
38	P	98.1	Very high	96.2	Very high	32 Å²	32	43 Å²	43	21%	0.208	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-15.9	-171	29.8	-38.2	0	0	0	113.8	T36 Y130 V131 S132	T36-P38 VanDerWaalsContact C-CD 3.42Å; T36-P38 WeakPolarHBondContact O-CD 3.16Å; P38-Y130 WeakPolarHBondContact CA-O 3.32Å; P38-V131 VanDerWaalsContact O-CA 3.3Å; P38-V131 WeakPolarHBondContact O-CA 3.5Å; P38-S132 CarbonylContact C-O 3.46Å; P38-S132 WeakPolarHBondContact CB-OG 3.49Å; P38-S132 WeakPolarHBondContact CG-OG 3.3Å; P38-S132 PolarHBondContact O-N 2.83Å
39	S	98.6	Very high	97.1	Very high	4 Å²	4	41.7 Å²	41.7	3%	0.028	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-8.5	172.4	60.7	0	0	0	0	113.4	W37 A41 T54 L55 S132 L134	W37-S39 PolarHBondContact O-N 3.49Å; S39-A41 PolarHBondContact O-N 2.59Å; S39-T54 CarbonylContact O-C 3.58Å; S39-T54 WeakPolarHBondContact O-CA 3.13Å; S39-L55 PolarHBondContact O-N 2.95Å; S39-S132 WeakPolarHBondContact CA-O 3.37Å; S39-S132 WeakPolarHBondContact CB-O 3.31Å; S39-S132 PolarHBondContact N-O 3.4Å; S39-L134 WeakPolarHBondContact OG-CB 3.3Å
40	M	98.8	Very high	97.6	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.015	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	130	-174.4	-167.7	70.4	-154	0	0	110.8	W37 A152 W154 L167 P212	W37-M40 HydrophobicContact CB-CB 3.89Å; W37-M40 WeakPolarHBondContact O-CB 3.21Å; W37-M40 PolarHBondContact O-N 3.39Å; M40-A152 WeakPolarHBondContact CE-O 3.47Å; M40-A152 HydrophobicContact SD-CB 4.22Å; M40-W154 HydrophobicContact CB-CH2 4.3Å; M40-W154 HydrophobicContact CE-CE3 4.21Å; M40-W154 HydrophobicContact CE-CZ3 3.75Å; M40-W154 HydrophobicContact CG-CH2 3.51Å; M40-W154 HydrophobicContact CG-CZ3 3.47Å; M40-W154 VanDerWaalsContact CG-CZ3 3.47Å; M40-W154 HydrophobicContact SD-CZ3 4.48Å; M40-L167 HydrophobicContact CB-CD2 4.41Å; M40-L167 HydrophobicContact CG-CD1 3.94Å; M40-L167 HydrophobicContact CG-CD2 4.17Å; M40-P212 VanDerWaalsContact SD-CD 3.59Å; M40-P212 HydrophobicContact SD-CG 4.04Å
41	A	98.9	Very high	97.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.4	177.5	0	0	0	0	0	110.8	S39 G52 G53 V61 V79 L81	S39-A41 PolarHBondContact O-N 2.59Å; A41-G52 CarbonylContact O-C 3.54Å; A41-G52 WeakPolarHBondContact O-CA 3.21Å; A41-G53 PolarHBondContact N-O 2.91Å; A41-G53 PolarHBondContact O-N 3.27Å; A41-V61 HydrophobicContact CB-CG1 3.74Å; A41-V79 HydrophobicContact CB-CG1 3.69Å; A41-L81 HydrophobicContact CB-CD2 3.59Å
42	S	98.9	Very high	98	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	111	164.4	155.9	0	0	0	0	108.2	Q44 H49 L80	S42-Q44 WeakPolarHBondContact OG-CG 3.3Å; S42-Q44 PolarHBondContact OG-NE2 2.59Å; S42-H49 PolarHBondContact OG-ND1 2.91Å; S42-L80 PolarHBondContact N-O 3.32Å; S42-L80 PolarHBondContact O-N 2.83Å
43	V	98.8	Very high	98	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	125.9	169.2	-175.9	0	0	0	0	108	V50 C51 M68 V77 L119	V43-V50 HydrophobicContact CB-CG2 4.37Å; V43-V50 HydrophobicContact CG1-CG2 4.09Å; V43-V50 WeakPolarHBondContact O-CG2 3.46Å; V43-V50 PolarHBondContact O-N 3.02Å; V43-C51 HydrophobicContact CB-CB 4.21Å; V43-C51 PolarHBondContact N-O 3.02Å; V43-C51 PolarHBondContact O-N 2.95Å; V43-M68 HydrophobicContact CG1-CE 4.1Å; V43-V77 HydrophobicContact CG1-CG1 4.4Å; V43-L119 HydrophobicContact CG1-CD1 3.95Å; V43-L119 HydrophobicContact CG2-CD1 3.73Å
44	Q	98.7	Very high	98.1	Very high	16 Å²	16	25.9 Å²	25.9	8%	0.075	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.7	-176.6	-58.8	-167	-8.8	0	0	111.2	S42 G47 T48 V77 Q78	S42-Q44 WeakPolarHBondContact OG-CG 3.3Å; S42-Q44 PolarHBondContact OG-NE2 2.59Å; Q44-G47 PolarHBondContact OE1-O 2.97Å; Q44-T48 CarbonylContact C-O 3.45Å; Q44-T48 WeakPolarHBondContact CA-O 3.44Å; Q44-T48 WeakPolarHBondContact CB-O 3.38Å; Q44-V77 WeakPolarHBondContact O-CA 3.37Å; Q44-Q78 PolarHBondContact N-O 2.89Å; Q44-Q78 PolarHBondContact O-N 3.23Å
45	V	98.3	Very high	98.1	Very high	14 Å²	14	23.8 Å²	23.8	9%	0.085	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.2	169.1	-179.9	0	0	0	0	106.9	G47 T48 V50 M68 V71 E75 I76 V77	V45-G47 PolarHBondContact O-N 3.3Å; V45-T48 PolarHBondContact N-O 3.37Å; V45-T48 PolarHBondContact O-N 3.18Å; V45-V50 HydrophobicContact CB-CG1 3.89Å; V45-V50 HydrophobicContact CG2-CB 4.48Å; V45-V50 HydrophobicContact CG2-CG1 3.86Å; V45-V50 HydrophobicContact CG2-CG2 3.81Å; V45-M68 HydrophobicContact CG2-CE 4.32Å; V45-V71 HydrophobicContact CG2-CG2 4.1Å; V45-E75 HydrophobicContact CG1-CB 3.92Å; V45-E75 HydrophobicContact CG1-CG 4.44Å; V45-I76 CarbonylContact C-O 3.54Å; V45-I76 WeakPolarHBondContact CA-O 3.23Å; V45-V77 HydrophobicContact CG2-CG2 4.47Å
46	N	97.4	Very high	98.3	Very high	83 Å²	83	22.7 Å²	22.7	44%	0.444	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	44.2	-176.9	-61.4	-30.5	0	0	0	112.6	T48 E75 I76	N46-T48 PolarHBondContact O-N 3.06Å; N46-E75 WeakPolarHBondContact ND2-CG 3.49Å; N46-E75 PolarHBondContact ND2-OE1 3.26Å; N46-I76 PolarHBondContact N-O 2.95Å; N46-I76 PolarHBondContact OD1-N 2.83Å
47	G	96.9	Very high	98.3	Very high	45 Å²	45	22.4 Å²	22.4	46%	0.464	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	5.4	179.3	0	0	0	0	0	115.6	Q44 V45	Q44-G47 PolarHBondContact OE1-O 2.97Å; V45-G47 PolarHBondContact O-N 3.3Å
48	T	97.7	Very high	98.3	Very high	90 Å²	90	24.6 Å²	24.6	55%	0.552	15%	0.147	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.6	179.1	-58.9	0	0	0	0	110.9	Q44 V45 N46 V50	Q44-T48 CarbonylContact C-O 3.45Å; Q44-T48 WeakPolarHBondContact CA-O 3.44Å; Q44-T48 WeakPolarHBondContact CB-O 3.38Å; V45-T48 PolarHBondContact N-O 3.37Å; V45-T48 PolarHBondContact O-N 3.18Å; N46-T48 PolarHBondContact O-N 3.06Å; T48-V50 PolarHBondContact O-N 3.24Å
49	H	98.3	Very high	98.2	Very high	12 Å²	12	25 Å²	25	6%	0.056	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	123.5	174	174.9	81	0	0	0	111.9	S42 C51 L86 W154 G207	S42-H49 PolarHBondContact OG-ND1 2.91Å; H49-C51 PolarHBondContact CE1-O 3.33Å; H49-C51 PolarHBondContact ND1-O 2.79Å; H49-L86 HydrophobicContact CB-CD1 3.83Å; H49-W154 AromaticContact CE1-CE3 3.92Å; H49-G207 PolarHBondContact NE2-O 2.81Å; H49-G207 VanDerWaalsContact NE2-O 3.09Å
50	V	97.6	Very high	98.2	Very high	46 Å²	46	25.1 Å²	25.1	28%	0.279	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	-41.7	175.7	-64.3	0	0	0	0	112.4	V43 V45 T48	V43-V50 HydrophobicContact CB-CG2 4.37Å; V43-V50 HydrophobicContact CG1-CG2 4.09Å; V43-V50 WeakPolarHBondContact O-CG2 3.46Å; V43-V50 PolarHBondContact O-N 3.02Å; V45-V50 HydrophobicContact CB-CG1 3.89Å; V45-V50 HydrophobicContact CG2-CB 4.48Å; V45-V50 HydrophobicContact CG2-CG1 3.86Å; V45-V50 HydrophobicContact CG2-CG2 3.81Å; T48-V50 PolarHBondContact O-N 3.24Å
51	C	98.5	Very high	98.2	Very high	5 Å²	5	25 Å²	25	3%	0.034	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	158.7	-173.2	-81.1	0	0	0	0	111.5	V43 H49 C67 S209	V43-C51 HydrophobicContact CB-CB 4.21Å; V43-C51 PolarHBondContact N-O 3.02Å; V43-C51 PolarHBondContact O-N 2.95Å; H49-C51 PolarHBondContact CE1-O 3.33Å; H49-C51 PolarHBondContact ND1-O 2.79Å; C51-C67 HydrophobicContact CB-CB 3.76Å; C51-C67 WeakPolarHBondContact CB-SG 3.41Å; C51-C67 WeakPolarHBondContact SG-CB 3.39Å; C51-C67 CovalentContact SG-SG 2.02Å; C51-C67 PolarHBondContact SG-SG 3.06Å; C51-S209 CarbonylContact C-O 3.53Å; C51-S209 WeakPolarHBondContact CA-O 3.02Å; C51-S209 WeakPolarHBondContact CB-O 3.22Å
52	G	98.7	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	173.8	162.1	0	0	0	0	0	112.4	A41 S63 S209 G210	A41-G52 CarbonylContact O-C 3.54Å; A41-G52 WeakPolarHBondContact O-CA 3.21Å; G52-S63 PolarHBondContact O-OG 3.41Å; G52-S209 PolarHBondContact N-O 2.87Å; G52-G210 VanDerWaalsContact C-C 3.49Å; G52-G210 CarbonylContact C-O 3.43Å; G52-G210 CarbonylContact O-C 3.52Å; G52-G210 VanDerWaalsContact O-C 3.31Å; G52-G210 WeakPolarHBondContact O-CA 3.33Å
53	G	98.7	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	172.7	171.6	0	0	0	0	0	110.3	A41 L62 G210	A41-G53 PolarHBondContact N-O 2.91Å; A41-G53 PolarHBondContact O-N 3.27Å; G53-L62 CarbonylContact C-O 3.44Å; G53-L62 WeakPolarHBondContact CA-O 3.08Å; G53-G210 WeakPolarHBondContact CA-O 3.22Å
54	T	98.9	Very high	98.2	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	125.9	176.8	-48.3	0	0	0	0	109.9	S39 V56 V61 L62 L134 P212 V219	S39-T54 CarbonylContact O-C 3.58Å; S39-T54 WeakPolarHBondContact O-CA 3.13Å; T54-V56 HydrophobicContact CG2-CG1 4.5Å; T54-V56 PolarHBondContact O-N 2.89Å; T54-V61 CarbonylContact O-C 3.56Å; T54-V61 VanDerWaalsContact O-CA 3.3Å; T54-V61 WeakPolarHBondContact O-CA 3.07Å; T54-L62 PolarHBondContact N-O 2.86Å; T54-L62 PolarHBondContact O-N 2.95Å; T54-L134 HydrophobicContact CG2-CB 4.27Å; T54-P212 VanDerWaalsContact OG1-CB 3.3Å; T54-P212 WeakPolarHBondContact OG1-CB 3.34Å; T54-V219 HydrophobicContact CG2-CG2 3.88Å
55	L	98.9	Very high	98.2	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	118.8	167.2	-171.9	71.5	0	0	0	108.7	S39 D57 V61 L81 V125 L127 V131 P133 L134	S39-L55 PolarHBondContact O-N 2.95Å; L55-D57 WeakPolarHBondContact CD1-O 3.3Å; L55-D57 WeakPolarHBondContact CG-O 3.21Å; L55-V61 HydrophobicContact CD1-CG2 3.83Å; L55-L81 HydrophobicContact CB-CD2 4.36Å; L55-L81 HydrophobicContact CD1-CD1 3.98Å; L55-V125 HydrophobicContact CD1-CG1 4.04Å; L55-V125 HydrophobicContact CD1-CG2 4.37Å; L55-V125 HydrophobicContact CD2-CG2 4.05Å; L55-L127 HydrophobicContact CD2-CD2 4.42Å; L55-V131 HydrophobicContact CD2-CG1 3.79Å; L55-P133 HydrophobicContact CD2-CG 4.18Å; L55-P133 HydrophobicContact CG-CG 4.27Å; L55-P133 VanDerWaalsContact O-CA 3.23Å; L55-P133 WeakPolarHBondContact O-CA 3.13Å; L55-L134 PolarHBondContact O-N 2.95Å; L55-L134 VanDerWaalsContact O-N 3.08Å
56	V	98.4	Very high	98	Very high	21 Å²	21	26 Å²	26	13%	0.127	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-16.8	-177.7	-63.6	0	0	0	0	112.6	T54 W60 L62 L118 L136 M253	T54-V56 HydrophobicContact CG2-CG1 4.5Å; T54-V56 PolarHBondContact O-N 2.89Å; V56-W60 HydrophobicContact CG2-CB 3.77Å; V56-W60 WeakPolarHBondContact CG2-O 3.38Å; V56-W60 PolarHBondContact N-O 2.89Å; V56-L62 HydrophobicContact CG1-CB 3.73Å; V56-L62 HydrophobicContact CG1-CD2 4.39Å; V56-L62 HydrophobicContact CG2-CB 4.46Å; V56-L118 HydrophobicContact CG2-CD2 4.32Å; V56-L136 HydrophobicContact CG1-CD1 4.12Å; V56-L136 HydrophobicContact CG1-CD2 3.56Å; V56-L136 HydrophobicContact CG1-CG 4.05Å; V56-M253 HydrophobicContact CG2-CE 4.21Å; V56-M253 HydrophobicContact CG2-SD 3.92Å
57	D	97.1	Very high	98	Very high	65 Å²	65	22.6 Å²	22.6	35%	0.348	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	175.3	174.1	-179.2	32.5	0	0	0	109.7	L55 Q59 W60 M253	L55-D57 WeakPolarHBondContact CD1-O 3.3Å; L55-D57 WeakPolarHBondContact CG-O 3.21Å; D57-Q59 PolarHBondContact O-N 2.87Å; D57-W60 HydrophobicContact CB-CB 4.2Å; D57-W60 PolarHBondContact N-O 2.98Å; D57-W60 PolarHBondContact O-N 3.44Å; D57-M253 HydrophobicContact CB-CE 3.37Å
58	E	97.4	Very high	97.9	Very high	81 Å²	81	20.9 Å²	20.9	38%	0.379	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.7	-178.5	-70.2	-174.2	-177.8	0	0	114.4	N124 V125 L127	E58-N124 HydrophobicContact CB-CB 4.43Å; E58-N124 CarbonylContact O-C 3.59Å; E58-N124 WeakPolarHBondContact O-CA 3.06Å; E58-N124 PolarHBondContact OE2-ND2 2.98Å; E58-V125 HydrophobicContact CB-CG2 4.46Å; E58-V125 WeakPolarHBondContact O-CG1 3.32Å; E58-V125 WeakPolarHBondContact O-CG2 3.27Å; E58-V125 PolarHBondContact O-N 2.86Å; E58-L127 HydrophobicContact CG-CD1 3.85Å; E58-L127 HydrophobicContact CG-CG 4.25Å
59	Q	97.8	Very high	97.7	Very high	41 Å²	41	19.7 Å²	19.7	19%	0.192	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130	6.6	-176.8	-148.2	-177.1	-29.9	0	0	113.4	D57 K120 L121 N124	D57-Q59 PolarHBondContact O-N 2.87Å; Q59-K120 HydrophobicContact CG-CG 4.39Å; Q59-K120 WeakPolarHBondContact O-CA 3.17Å; Q59-L121 HydrophobicContact CG-CB 4.26Å; Q59-L121 WeakPolarHBondContact CG-O 3.45Å; Q59-L121 PolarHBondContact NE2-O 2.58Å; Q59-L121 PolarHBondContact O-N 3.34Å; Q59-N124 PolarHBondContact OE1-OD1 2.8Å
60	W	98.6	Very high	97.4	Very high	6 Å²	6	22.6 Å²	22.6	2%	0.023	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131.2	-172	-69.1	104.8	0	0	0	113.3	V56 D57 L118 L119 K120 V252 M253 W257	V56-W60 HydrophobicContact CG2-CB 3.77Å; V56-W60 WeakPolarHBondContact CG2-O 3.38Å; V56-W60 PolarHBondContact N-O 2.89Å; D57-W60 HydrophobicContact CB-CB 4.2Å; D57-W60 PolarHBondContact N-O 2.98Å; D57-W60 PolarHBondContact O-N 3.44Å; W60-L118 HydrophobicContact CE3-CB 3.97Å; W60-L118 HydrophobicContact CE3-CD2 4.33Å; W60-L118 HydrophobicContact CZ3-CB 3.94Å; W60-L119 WeakPolarHBondContact CA-O 3.23Å; W60-K120 HydrophobicContact CD2-CB 4.42Å; W60-K120 HydrophobicContact CD2-CG 4.36Å; W60-K120 HydrophobicContact CE3-CB 3.94Å; W60-K120 HydrophobicContact CE3-CG 4.37Å; W60-K120 HydrophobicContact CH2-CB 3.52Å; W60-K120 HydrophobicContact CH2-CD 3.74Å; W60-K120 HydrophobicContact CH2-CG 3.77Å; W60-K120 HydrophobicContact CZ2-CB 4.06Å; W60-K120 HydrophobicContact CZ2-CD 3.6Å; W60-K120 HydrophobicContact CZ2-CG 3.77Å; W60-K120 HydrophobicContact CZ3-CB 3.47Å; W60-K120 VanDerWaalsContact CZ3-CB 3.47Å; W60-K120 HydrophobicContact CZ3-CG 4.1Å; W60-V252 HydrophobicContact CH2-CG1 3.96Å; W60-V252 HydrophobicContact CZ3-CG1 4.02Å; W60-M253 HydrophobicContact CB-CE 4.37Å; W60-M253 HydrophobicContact CB-CG 4.3Å; W60-M253 HydrophobicContact CD2-CG 4.09Å; W60-M253 HydrophobicContact CG-CE 4.44Å; W60-M253 HydrophobicContact CG-CG 3.83Å; W60-M253 PolarHBondContact NE1-O 2.88Å; W60-W257 AromaticContact CH2-CH2 3.48Å; W60-W257 HydrophobicContact CH2-CH2 3.48Å; W60-W257 VanDerWaalsContact CH2-CH2 3.48Å; W60-W257 AromaticContact CH2-CZ3 3.32Å; W60-W257 HydrophobicContact CH2-CZ3 3.32Å; W60-W257 AromaticContact CZ2-CH2 3.52Å; W60-W257 HydrophobicContact CZ2-CH2 3.52Å; W60-W257 AromaticContact CZ2-CZ3 3.65Å; W60-W257 HydrophobicContact CZ2-CZ3 3.65Å; W60-W257 HydrophobicContact CZ3-CZ3 4.43Å
61	V	98.9	Very high	97.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	125.9	174.2	173.6	0	0	0	0	109.2	A41 T54 L55 V79 L119 L121	A41-V61 HydrophobicContact CB-CG1 3.74Å; T54-V61 CarbonylContact O-C 3.56Å; T54-V61 VanDerWaalsContact O-CA 3.3Å; T54-V61 WeakPolarHBondContact O-CA 3.07Å; L55-V61 HydrophobicContact CD1-CG2 3.83Å; V61-V79 HydrophobicContact CG1-CG1 4.33Å; V61-V79 HydrophobicContact CG2-CG1 4.09Å; V61-L119 HydrophobicContact CB-CB 4.3Å; V61-L119 PolarHBondContact N-O 2.89Å; V61-L119 PolarHBondContact O-N 2.85Å; V61-L121 HydrophobicContact CG2-CD1 4.25Å; V61-L121 HydrophobicContact CG2-CD2 4.29Å; V61-L121 HydrophobicContact CG2-CG 4.47Å
62	L	98.8	Very high	96.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	135	174.1	-175.4	67.3	0	0	0	110	G53 T54 V56 L116 L117 L118 L136 V222 L242 I249	G53-L62 CarbonylContact C-O 3.44Å; G53-L62 WeakPolarHBondContact CA-O 3.08Å; T54-L62 PolarHBondContact N-O 2.86Å; T54-L62 PolarHBondContact O-N 2.95Å; V56-L62 HydrophobicContact CG1-CB 3.73Å; V56-L62 HydrophobicContact CG1-CD2 4.39Å; V56-L62 HydrophobicContact CG2-CB 4.46Å; L62-L116 HydrophobicContact CD1-CD2 4.34Å; L62-L117 CarbonylContact C-O 3.31Å; L62-L117 WeakPolarHBondContact CA-O 3.18Å; L62-L118 HydrophobicContact CB-CD2 4.27Å; L62-L118 HydrophobicContact CD1-CD2 3.92Å; L62-L118 HydrophobicContact CD1-CG 4.1Å; L62-L136 HydrophobicContact CD2-CD1 4.18Å; L62-L136 HydrophobicContact CD2-CD2 4.1Å; L62-V222 HydrophobicContact CD2-CG2 3.81Å; L62-V222 HydrophobicContact CG-CG2 4.03Å; L62-L242 HydrophobicContact CD2-CD1 3.58Å; L62-L242 HydrophobicContact CD2-CD2 3.75Å; L62-L242 HydrophobicContact CD2-CG 4.33Å; L62-I249 HydrophobicContact CD1-CD1 4.42Å; L62-I249 HydrophobicContact CD2-CD1 4.43Å
63	S	98.8	Very high	96.3	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	-165.7	178.5	-169.5	0	0	0	0	109.6	G52 L117	G52-S63 PolarHBondContact O-OG 3.41Å; S63-L117 PolarHBondContact N-O 2.89Å; S63-L117 PolarHBondContact O-N 3.09Å
64	A	98.2	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	24%	0.237	C	C	.	.			trans	-100.3	145.1	178.1	0	0	0	0	0	111.3	H66 C67 D115 L117 V222	A64-H66 PolarHBondContact O-N 2.8Å; A64-C67 VanDerWaalsContact O-CB 3.28Å; A64-C67 WeakPolarHBondContact O-CB 3.47Å; A64-C67 PolarHBondContact O-N 3.13Å; A64-C67 PolarHBondContact O-SG 3.3Å; A64-D115 WeakPolarHBondContact CA-O 3.36Å; A64-L117 WeakPolarHBondContact O-CB 3.28Å; A64-L117 WeakPolarHBondContact O-CD2 3.5Å; A64-V222 HydrophobicContact CB-CG1 4.23Å
65	A	97.8	Very high	95.7	Very high	3 Å²	3	40.4 Å²	40.4	3%	0.025	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-63.3	-42.5	-176.7	0	0	0	0	0	112.3	C67 M68 R103 D115	A65-C67 PolarHBondContact O-N 3.47Å; A65-M68 PolarHBondContact O-N 3.21Å; A65-R103 HydrophobicContact CB-CB 4.49Å; A65-R103 HydrophobicContact CB-CG 4.18Å; A65-D115 WeakPolarHBondContact CA-OD1 3.46Å; A65-D115 WeakPolarHBondContact CB-OD1 3.38Å; A65-D115 PolarHBondContact N-OD1 2.92Å
66	H	95.9	Very high	95.6	Very high	49 Å²	49	45 Å²	45	23%	0.227	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-64.3	-13.5	-177.7	74.4	-93.8	0	0	0	113.7	A64 M68 D69 D115 S209	A64-H66 PolarHBondContact O-N 2.8Å; H66-M68 PolarHBondContact O-N 3.08Å; H66-D69 WeakPolarHBondContact CA-OD2 3.42Å; H66-D69 WeakPolarHBondContact CB-OD2 3.41Å; H66-D69 WeakPolarHBondContact O-CB 3.34Å; H66-D69 PolarHBondContact O-N 3.37Å; H66-D69 VanDerWaalsContact O-N 3.09Å; H66-D115 IonicContact CE1-OD2 3.28Å; H66-D115 PolarHBondContact CE1-OD2 2.78Å; H66-D115 VanDerWaalsContact CE1-OD2 3.28Å; H66-D115 IonicContact CG-OD1 3.77Å; H66-D115 IonicContact CG-OD2 3.89Å; H66-D115 PolarHBondContact N-OD1 2.8Å; H66-D115 VanDerWaalsContact ND1-CG 3.26Å; H66-D115 IonicContact ND1-OD1 3.05Å; H66-D115 PolarHBondContact ND1-OD1 2.81Å; H66-D115 IonicContact ND1-OD2 2.7Å; H66-D115 PolarHBondContact ND1-OD2 2.81Å; H66-S209 VanDerWaalsContact CE1-CB 3.49Å; H66-S209 WeakPolarHBondContact CE1-CB 3.45Å; H66-S209 PolarHBondContact CE1-OG 3.28Å; H66-S209 VanDerWaalsContact CE1-OG 3.3Å; H66-S209 WeakPolarHBondContact NE2-CB 3.48Å; H66-S209 PolarHBondContact NE2-OG 2.91Å
67	C	96.2	Very high	95.6	Very high	10 Å²	10	45.3 Å²	45.3	7%	0.068	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-62.2	-21.9	173.3	-63.3	0	0	0	0	112.7	C51 A64 A65	C51-C67 HydrophobicContact CB-CB 3.76Å; C51-C67 WeakPolarHBondContact CB-SG 3.41Å; C51-C67 WeakPolarHBondContact SG-CB 3.39Å; C51-C67 CovalentContact SG-SG 2.02Å; C51-C67 PolarHBondContact SG-SG 3.06Å; A64-C67 VanDerWaalsContact O-CB 3.28Å; A64-C67 WeakPolarHBondContact O-CB 3.47Å; A64-C67 PolarHBondContact O-N 3.13Å; A64-C67 PolarHBondContact O-SG 3.3Å; A65-C67 PolarHBondContact O-N 3.47Å
68	M	95.7	Very high	95.7	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.049	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-100.7	7.9	177.3	-58.1	-70.5	92.7	0	0	112.7	V43 V45 A65 H66 G70 V71 V77 R103 L117	V43-M68 HydrophobicContact CG1-CE 4.1Å; V45-M68 HydrophobicContact CG2-CE 4.32Å; A65-M68 PolarHBondContact O-N 3.21Å; H66-M68 PolarHBondContact O-N 3.08Å; M68-G70 PolarHBondContact O-N 3.42Å; M68-V71 HydrophobicContact CE-CG2 4.36Å; M68-V71 PolarHBondContact O-N 2.82Å; M68-V77 HydrophobicContact CE-CG1 4.01Å; M68-V77 HydrophobicContact CE-CG2 4.46Å; M68-V77 HydrophobicContact SD-CG1 4.03Å; M68-V77 HydrophobicContact SD-CG2 4.1Å; M68-R103 PolarHBondContact O-NH1 2.03Å; M68-L117 HydrophobicContact CG-CD1 4.19Å; M68-L117 HydrophobicContact CG-CD2 3.48Å; M68-L117 VanDerWaalsContact CG-CD2 3.48Å; M68-L117 HydrophobicContact CG-CG 4.5Å; M68-L117 HydrophobicContact SD-CD2 4.25Å
69	D	93.2	Very high	95.8	Very high	64 Å²	64	40 Å²	40	34%	0.342	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	129.2	177.1	-71.8	-12.1	0	0	0	110.2	H66 V71	H66-D69 WeakPolarHBondContact CA-OD2 3.42Å; H66-D69 WeakPolarHBondContact CB-OD2 3.41Å; H66-D69 WeakPolarHBondContact O-CB 3.34Å; H66-D69 PolarHBondContact O-N 3.37Å; H66-D69 VanDerWaalsContact O-N 3.09Å; D69-V71 PolarHBondContact O-N 2.6Å
70	G	90.8	Very high	95.8	Very high	73 Å²	73	38.5 Å²	38.5	75%	0.753	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.8	-4.3	-175.6	0	0	0	0	0	114.6	M68 T72	M68-G70 PolarHBondContact O-N 3.42Å; G70-T72 PolarHBondContact O-N 3.17Å
71	V	93.3	Very high	95.9	Very high	42 Å²	42	38.2 Å²	38.2	26%	0.255	24%	0.242	S	C	.	.			trans	-71.1	124	176	179.4	0	0	0	0	110	V45 M68 D69 E75 V77	V45-V71 HydrophobicContact CG2-CG2 4.1Å; M68-V71 HydrophobicContact CE-CG2 4.36Å; M68-V71 PolarHBondContact O-N 2.82Å; D69-V71 PolarHBondContact O-N 2.6Å; V71-E75 WeakPolarHBondContact CA-OE2 3.38Å; V71-E75 HydrophobicContact CG1-CB 4.12Å; V71-V77 HydrophobicContact CG1-CG2 3.9Å
72	T	91.8	Very high	95.8	Very high	79 Å²	79	38.4 Å²	38.4	49%	0.485	24%	0.244	S	C	.	.			trans	-98.5	168.7	-178.3	76	0	0	0	0	112	G70 D74 E75	G70-T72 PolarHBondContact O-N 3.17Å; T72-D74 PolarHBondContact O-N 2.8Å; T72-E75 PolarHBondContact N-OE2 2.82Å; T72-E75 PolarHBondContact O-N 3.41Å
73	G	86.6	Confident	95.8	Very high	84 Å²	84	38.9 Å²	38.9	87%	0.866	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.3	-179.8	0	0	0	0	0	114.9
74	D	91.7	Very high	95.8	Very high	156 Å²	156	39.5 Å²	39.5	83%	0.834	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-11.8	178.9	-61.9	-35.2	0	0	0	112.5	T72	T72-D74 PolarHBondContact O-N 2.8Å
75	E	95.1	Very high	95.8	Very high	64 Å²	64	39.5 Å²	39.5	30%	0.299	25%	0.251	S	S	.	.	S	Bend	trans	-89.3	141.4	-177.8	-62.8	-175.2	117.2	0	0	112	V45 N46 V71 T72	V45-E75 HydrophobicContact CG1-CB 3.92Å; V45-E75 HydrophobicContact CG1-CG 4.44Å; N46-E75 WeakPolarHBondContact ND2-CG 3.49Å; N46-E75 PolarHBondContact ND2-OE1 3.26Å; V71-E75 WeakPolarHBondContact CA-OE2 3.38Å; V71-E75 HydrophobicContact CG1-CB 4.12Å; T72-E75 PolarHBondContact N-OE2 2.82Å; T72-E75 PolarHBondContact O-N 3.41Å
76	I	96.8	Very high	95.9	Very high	98 Å²	98	41.4 Å²	41.4	50%	0.503	26%	0.26	S	S	.	.			trans	-92.6	114.2	-177.2	-62.7	171.6	0	0	0	108.9	V45 N46 Q78	V45-I76 CarbonylContact C-O 3.54Å; V45-I76 WeakPolarHBondContact CA-O 3.23Å; N46-I76 PolarHBondContact N-O 2.95Å; N46-I76 PolarHBondContact OD1-N 2.83Å; I76-Q78 HydrophobicContact CG2-CG 3.78Å
77	V	98.4	Very high	96	Very high	27 Å²	27	43.4 Å²	43.4	16%	0.164	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124.3	173.8	-172	0	0	0	0	110	V43 Q44 V45 M68 V71 V98	V43-V77 HydrophobicContact CG1-CG1 4.4Å; Q44-V77 WeakPolarHBondContact O-CA 3.37Å; V45-V77 HydrophobicContact CG2-CG2 4.47Å; M68-V77 HydrophobicContact CE-CG1 4.01Å; M68-V77 HydrophobicContact CE-CG2 4.46Å; M68-V77 HydrophobicContact SD-CG1 4.03Å; M68-V77 HydrophobicContact SD-CG2 4.1Å; V71-V77 HydrophobicContact CG1-CG2 3.9Å; V77-V98 HydrophobicContact CB-CB 4.44Å; V77-V98 HydrophobicContact CB-CG2 4.47Å; V77-V98 HydrophobicContact CG1-CB 4.38Å; V77-V98 HydrophobicContact CG1-CG2 3.97Å; V77-V98 PolarHBondContact O-N 3.35Å
78	Q	98.7	Very high	96.1	Very high	34 Å²	34	49.4 Å²	49.4	16%	0.159	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	159.1	-179.3	-70.4	174.7	-58.3	0	0	111.2	Q44 I76 L95 Y96 D97	Q44-Q78 PolarHBondContact N-O 2.89Å; Q44-Q78 PolarHBondContact O-N 3.23Å; I76-Q78 HydrophobicContact CG2-CG 3.78Å; Q78-L95 HydrophobicContact CB-CD1 3.72Å; Q78-L95 HydrophobicContact CB-CD2 4.35Å; Q78-L95 HydrophobicContact CB-CG 3.9Å; Q78-L95 HydrophobicContact CG-CD2 4.49Å; Q78-L95 HydrophobicContact CG-CG 4.33Å; Q78-Y96 CarbonylContact C-O 3.5Å; Q78-Y96 VanDerWaalsContact CA-O 3.31Å; Q78-Y96 WeakPolarHBondContact CA-O 3.46Å; Q78-D97 PolarHBondContact NE2-OD1 2.9Å
79	V	98.9	Very high	96.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.2	174.4	-176.6	0	0	0	0	110.3	A41 V61 L81 Y96 V98 L119 L121	A41-V79 HydrophobicContact CB-CG1 3.69Å; V61-V79 HydrophobicContact CG1-CG1 4.33Å; V61-V79 HydrophobicContact CG2-CG1 4.09Å; V79-L81 HydrophobicContact CG1-CD2 4.19Å; V79-L81 HydrophobicContact CG1-CG 4.17Å; V79-Y96 PolarHBondContact N-O 3.12Å; V79-Y96 PolarHBondContact O-N 2.83Å; V79-V98 HydrophobicContact CG2-CG2 3.86Å; V79-L119 HydrophobicContact CG2-CB 4.49Å; V79-L119 HydrophobicContact CG2-CD1 3.72Å; V79-L121 HydrophobicContact CB-CD2 3.84Å; V79-L121 HydrophobicContact CG2-CD2 3.82Å
80	L	98.8	Very high	96.4	Very high	10 Å²	10	53.2 Å²	53.2	5%	0.052	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	121.3	174.6	-176.5	66.6	0	0	0	109.8	S42 A83 L86 K93 L95	S42-L80 PolarHBondContact N-O 3.32Å; S42-L80 PolarHBondContact O-N 2.83Å; L80-A83 HydrophobicContact CD2-CB 3.81Å; L80-A83 HydrophobicContact CG-CB 3.92Å; L80-L86 HydrophobicContact CD2-CD2 4.03Å; L80-K93 HydrophobicContact CD1-CD 3.78Å; L80-K93 HydrophobicContact CD1-CG 3.37Å; L80-K93 HydrophobicContact CD2-CD 3.94Å; L80-K93 HydrophobicContact CD2-CG 4.4Å; L80-K93 HydrophobicContact CG-CD 4.19Å; L80-K93 HydrophobicContact CG-CG 4.1Å; L80-L95 HydrophobicContact CB-CD1 3.84Å; L80-L95 HydrophobicContact CD1-CB 4.29Å; L80-L95 HydrophobicContact CD1-CD1 4.08Å
81	L	98.8	Very high	96.7	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	161.1	177.5	-65.1	172.6	0	0	0	111	A41 L55 V79 A83 K93 R94 Y96 L121 V125 V131	A41-L81 HydrophobicContact CB-CD2 3.59Å; L55-L81 HydrophobicContact CB-CD2 4.36Å; L55-L81 HydrophobicContact CD1-CD1 3.98Å; V79-L81 HydrophobicContact CG1-CD2 4.19Å; V79-L81 HydrophobicContact CG1-CG 4.17Å; L81-A83 PolarHBondContact O-N 2.65Å; L81-K93 WeakPolarHBondContact O-CA 3.45Å; L81-R94 PolarHBondContact N-O 2.87Å; L81-R94 PolarHBondContact O-N 2.68Å; L81-Y96 HydrophobicContact CB-CD2 4.47Å; L81-Y96 HydrophobicContact CB-CE2 4.2Å; L81-Y96 HydrophobicContact CD1-CD2 3.99Å; L81-Y96 HydrophobicContact CD1-CE2 3.92Å; L81-Y96 HydrophobicContact CG-CD2 4.36Å; L81-Y96 HydrophobicContact CG-CE2 4.43Å; L81-L121 HydrophobicContact CD1-CD1 4.18Å; L81-V125 HydrophobicContact CD1-CB 4.29Å; L81-V125 HydrophobicContact CD1-CG1 3.41Å; L81-V125 VanDerWaalsContact CD1-CG1 3.41Å; L81-V131 HydrophobicContact CB-CG1 4.3Å; L81-V131 HydrophobicContact CB-CG2 4.34Å; L81-V131 HydrophobicContact CD1-CG1 4.28Å
82	G	98.4	Very high	96.9	Very high	4 Å²	4	55.7 Å²	55.7	4%	0.041	34%	0.338	C	S	.	.	S	Bend	trans	68.3	16.6	176.8	0	0	0	0	0	114.1	H35 S92 Y130	H35-G82 PolarHBondContact CE1-O 2.92Å; H35-G82 PolarHBondContact ND1-O 3.35Å; G82-S92 WeakPolarHBondContact O-CB 3.22Å; G82-S92 PolarHBondContact O-OG 2.99Å; G82-Y130 WeakPolarHBondContact CA-O 3.39Å
83	A	98.6	Very high	97.2	Very high	9 Å²	9	54.1 Å²	54.1	7%	0.074	33%	0.325	C	S	.	.			trans	-97.1	139.7	-176.4	0	0	0	0	0	112.1	L80 L81 E90 K93 W154	L80-A83 HydrophobicContact CD2-CB 3.81Å; L80-A83 HydrophobicContact CG-CB 3.92Å; L81-A83 PolarHBondContact O-N 2.65Å; A83-E90 VanDerWaalsContact CA-OE2 3.27Å; A83-E90 WeakPolarHBondContact CA-OE2 3.48Å; A83-K93 HydrophobicContact CB-CD 3.62Å; A83-K93 HydrophobicContact CB-CG 3.96Å; A83-W154 HydrophobicContact CB-CZ2 4.47Å
84	H	98.6	Very high	97.7	Very high	13 Å²	13	55.8 Å²	55.8	6%	0.06	31%	0.305	C	S	.	.	S	Bend	trans	-102.1	-53.2	156.7	-180	57.2	0	0	0	110.1	E31 A32 A34 E90 W154 V166 L167	E31-H84 IonicContact OE1-CD2 3.97Å; E31-H84 IonicContact OE1-CE1 3.61Å; E31-H84 IonicContact OE1-NE2 2.84Å; E31-H84 PolarHBondContact OE1-NE2 3.01Å; A32-H84 PolarHBondContact O-CE1 3.3Å; A34-H84 HydrophobicContact CB-CB 3.92Å; H84-E90 WeakPolarHBondContact CB-OE1 3.35Å; H84-E90 PolarHBondContact N-OE1 3.39Å; H84-E90 PolarHBondContact N-OE2 3.03Å; H84-W154 PolarHBondContact O-NE1 2.9Å; H84-V166 CarbonylContact O-C 3.53Å; H84-V166 WeakPolarHBondContact O-CA 3.39Å; H84-L167 PolarHBondContact O-N 3.43Å
85	S	98.6	Very high	98	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.007	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-92	132.5	173	172.6	0	0	0	0	111.6	S87 K88 E90 K93 D165	S85-S87 PolarHBondContact OG-N 3.39Å; S85-K88 WeakPolarHBondContact OG-CB 3.3Å; S85-K88 WeakPolarHBondContact OG-CG 3.07Å; S85-K88 PolarHBondContact OG-N 2.78Å; S85-E90 WeakPolarHBondContact CB-OE1 3.39Å; S85-E90 PolarHBondContact N-OE1 3.24Å; S85-K93 PolarHBondContact O-NZ 2.99Å; S85-D165 CarbonylContact C-O 3.59Å; S85-D165 WeakPolarHBondContact CA-O 3.28Å; S85-D165 WeakPolarHBondContact CB-OD2 3.31Å; S85-D165 VanDerWaalsContact OG-CG 3.25Å; S85-D165 PolarHBondContact OG-OD1 2.94Å; S85-D165 PolarHBondContact OG-OD2 3.5Å
86	L	98.5	Very high	98.2	Very high	43 Å²	43	48.8 Å²	48.8	23%	0.225	27%	0.269	C	S	.	.	S	Bend	trans	-66.1	-41	173.1	-63.1	178.1	0	0	0	110.9	H49 L80 K93 W154 D165	H49-L86 HydrophobicContact CB-CD1 3.83Å; L80-L86 HydrophobicContact CD2-CD2 4.03Å; L86-K93 PolarHBondContact O-NZ 2.88Å; L86-W154 HydrophobicContact CD1-CB 3.93Å; L86-W154 HydrophobicContact CD1-CG 3.91Å; L86-W154 HydrophobicContact CD2-CD2 4.03Å; L86-W154 HydrophobicContact CD2-CG 4.04Å; L86-W154 HydrophobicContact CG-CD2 4.48Å; L86-W154 HydrophobicContact CG-CG 4Å; L86-D165 PolarHBondContact N-O 3.4Å
87	S	97.9	Very high	98.3	Very high	90 Å²	90	48 Å²	48	63%	0.629	27%	0.266	S	S	*	.	S	Bend	trans	-93.6	-35.9	-174	66.1	0	0	0	0	115.8	S85 D165	S85-S87 PolarHBondContact OG-N 3.39Å; S87-D165 WeakPolarHBondContact CB-OD1 3.45Å; S87-D165 PolarHBondContact N-OD1 2.9Å; S87-D165 VanDerWaalsContact OG-CG 3.25Å; S87-D165 PolarHBondContact OG-OD1 3.31Å; S87-D165 PolarHBondContact OG-OD2 3.08Å
88	K	98	Very high	98.3	Very high	137 Å²	137	48.2 Å²	48.2	60%	0.596	27%	0.266	S	S	*	.	S	Bend	trans	-76.4	140.9	-172.5	-65.6	179.6	179.2	179.5	0	112.4	S85 E90 K93	S85-K88 WeakPolarHBondContact OG-CB 3.3Å; S85-K88 WeakPolarHBondContact OG-CG 3.07Å; S85-K88 PolarHBondContact OG-N 2.78Å; K88-E90 PolarHBondContact O-N 3.34Å; K88-K93 WeakPolarHBondContact O-CE 3.42Å; K88-K93 PolarHBondContact O-NZ 3.09Å
89	S	97.5	Very high	98.2	Very high	125 Å²	125	52.3 Å²	52.3	87%	0.874	29%	0.286	S	S	*	.			trans	-63.1	132.1	173.4	-170.5	0	0	0	0	111
90	E	98	Very high	98.1	Very high	28 Å²	28	58 Å²	58	13%	0.131	31%	0.307	C	S	.	.			trans	-137.9	132.3	179.7	-72.1	172.7	-178.6	0	0	108.2	H35 A83 H84 S85 K88 S92 K93	H35-E90 IonicContact CE1-OE2 3.3Å; H35-E90 PolarHBondContact CE1-OE2 2.84Å; H35-E90 VanDerWaalsContact CE1-OE2 3.3Å; A83-E90 VanDerWaalsContact CA-OE2 3.27Å; A83-E90 WeakPolarHBondContact CA-OE2 3.48Å; H84-E90 WeakPolarHBondContact CB-OE1 3.35Å; H84-E90 PolarHBondContact N-OE1 3.39Å; H84-E90 PolarHBondContact N-OE2 3.03Å; S85-E90 WeakPolarHBondContact CB-OE1 3.39Å; S85-E90 PolarHBondContact N-OE1 3.24Å; K88-E90 PolarHBondContact O-N 3.34Å; E90-S92 PolarHBondContact O-N 2.86Å; E90-S92 VanDerWaalsContact O-N 3.17Å; E90-K93 HydrophobicContact CB-CB 3.81Å; E90-K93 WeakPolarHBondContact O-CB 3.35Å; E90-K93 PolarHBondContact O-N 3.34Å
91	P	97.3	Very high	98	Very high	146 Å²	146	60 Å²	60	95%	0.948	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.1	-175.4	-26	34.6	0	0	0	114.7
92	S	97.4	Very high	97.9	Very high	22 Å²	22	61 Å²	61	15%	0.154	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-16.3	178.1	49.7	0	0	0	0	113.8	H35 G82 E90 R94	H35-S92 PolarHBondContact CE1-OG 3.39Å; H35-S92 VanDerWaalsContact CE1-OG 3.23Å; G82-S92 WeakPolarHBondContact O-CB 3.22Å; G82-S92 PolarHBondContact O-OG 2.99Å; E90-S92 PolarHBondContact O-N 2.86Å; E90-S92 VanDerWaalsContact O-N 3.17Å; S92-R94 PolarHBondContact O-N 2.89Å
93	K	98.1	Very high	97.8	Very high	46 Å²	46	66.7 Å²	66.7	20%	0.2	35%	0.351	C	S	.	.			trans	-79.1	124.4	-169.3	-179.8	164	63.7	169.1	0	110.5	L80 L81 A83 S85 L86 K88 E90	L80-K93 HydrophobicContact CD1-CD 3.78Å; L80-K93 HydrophobicContact CD1-CG 3.37Å; L80-K93 HydrophobicContact CD2-CD 3.94Å; L80-K93 HydrophobicContact CD2-CG 4.4Å; L80-K93 HydrophobicContact CG-CD 4.19Å; L80-K93 HydrophobicContact CG-CG 4.1Å; L81-K93 WeakPolarHBondContact O-CA 3.45Å; A83-K93 HydrophobicContact CB-CD 3.62Å; A83-K93 HydrophobicContact CB-CG 3.96Å; S85-K93 PolarHBondContact O-NZ 2.99Å; L86-K93 PolarHBondContact O-NZ 2.88Å; K88-K93 WeakPolarHBondContact O-CE 3.42Å; K88-K93 PolarHBondContact O-NZ 3.09Å; E90-K93 HydrophobicContact CB-CB 3.81Å; E90-K93 WeakPolarHBondContact O-CB 3.35Å; E90-K93 PolarHBondContact O-N 3.34Å
94	R	98.3	Very high	97.8	Very high	119 Å²	119	67.4 Å²	67.4	45%	0.449	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	135.8	179.3	-166.8	161.8	-176.4	-176.5	1.9	111	L81 S92 Y96	L81-R94 PolarHBondContact N-O 2.87Å; L81-R94 PolarHBondContact O-N 2.68Å; S92-R94 PolarHBondContact O-N 2.89Å; R94-Y96 HydrophobicContact CB-CD2 4.45Å; R94-Y96 HydrophobicContact CB-CE2 3.7Å; R94-Y96 HydrophobicContact CG-CD2 4.37Å; R94-Y96 HydrophobicContact CG-CE2 3.76Å
95	L	98.3	Very high	97.6	Very high	68 Å²	68	71.2 Å²	71.2	36%	0.356	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132.4	176.7	-164.9	65.3	0	0	0	108.5	Q78 L80	Q78-L95 HydrophobicContact CB-CD1 3.72Å; Q78-L95 HydrophobicContact CB-CD2 4.35Å; Q78-L95 HydrophobicContact CB-CG 3.9Å; Q78-L95 HydrophobicContact CG-CD2 4.49Å; Q78-L95 HydrophobicContact CG-CG 4.33Å; L80-L95 HydrophobicContact CB-CD1 3.84Å; L80-L95 HydrophobicContact CD1-CB 4.29Å; L80-L95 HydrophobicContact CD1-CD1 4.08Å
96	Y	98.7	Very high	97.5	Very high	5 Å²	5	74.4 Å²	74.4	2%	0.02	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.1	-178.3	-68.1	-96.3	0	0	0	109.3	Q78 V79 L81 R94 L121 Q123 V125 S126	Q78-Y96 CarbonylContact C-O 3.5Å; Q78-Y96 VanDerWaalsContact CA-O 3.31Å; Q78-Y96 WeakPolarHBondContact CA-O 3.46Å; V79-Y96 PolarHBondContact N-O 3.12Å; V79-Y96 PolarHBondContact O-N 2.83Å; L81-Y96 HydrophobicContact CB-CD2 4.47Å; L81-Y96 HydrophobicContact CB-CE2 4.2Å; L81-Y96 HydrophobicContact CD1-CD2 3.99Å; L81-Y96 HydrophobicContact CD1-CE2 3.92Å; L81-Y96 HydrophobicContact CG-CD2 4.36Å; L81-Y96 HydrophobicContact CG-CE2 4.43Å; R94-Y96 HydrophobicContact CB-CD2 4.45Å; R94-Y96 HydrophobicContact CB-CE2 3.7Å; R94-Y96 HydrophobicContact CG-CD2 4.37Å; R94-Y96 HydrophobicContact CG-CE2 3.76Å; Y96-L121 HydrophobicContact CD1-CD1 4.44Å; Y96-L121 HydrophobicContact CG-CD1 4.3Å; Y96-Q123 HydrophobicContact CD1-CG 3.84Å; Y96-Q123 HydrophobicContact CE1-CG 4.03Å; Y96-V125 HydrophobicContact CD1-CG1 4.45Å; Y96-V125 HydrophobicContact CE1-CB 4.36Å; Y96-V125 HydrophobicContact CE1-CG1 4.05Å; Y96-V125 HydrophobicContact CE2-CG1 4.3Å; Y96-S126 PolarHBondContact OH-N 2.86Å
97	D	98.5	Very high	97.3	Very high	82 Å²	82	73.5 Å²	73.5	44%	0.439	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	147.3	172	-57.4	-38.5	0	0	0	110.5	Q78 S122	Q78-D97 PolarHBondContact NE2-OD1 2.9Å; D97-S122 PolarHBondContact O-N 2.85Å; D97-S122 PolarHBondContact O-OG 3Å
98	V	98.3	Very high	97	Very high	30 Å²	30	75.9 Å²	75.9	18%	0.182	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	116.6	174.7	174	0	0	0	0	109	V77 V79 R100 L119 K120	V77-V98 HydrophobicContact CB-CB 4.44Å; V77-V98 HydrophobicContact CB-CG2 4.47Å; V77-V98 HydrophobicContact CG1-CB 4.38Å; V77-V98 HydrophobicContact CG1-CG2 3.97Å; V77-V98 PolarHBondContact O-N 3.35Å; V79-V98 HydrophobicContact CG2-CG2 3.86Å; V98-R100 WeakPolarHBondContact CG1-O 3.44Å; V98-L119 HydrophobicContact CG1-CB 4.43Å; V98-L119 HydrophobicContact CG1-CD2 3.92Å; V98-L119 HydrophobicContact CG2-CB 4.37Å; V98-L119 HydrophobicContact CG2-CD2 4.33Å; V98-K120 CarbonylContact C-O 3.52Å
99	Q	96.9	Very high	96.6	Very high	120 Å²	120	74.4 Å²	74.4	56%	0.561	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	-37.1	171.9	176.3	178.7	58.8	0	0	111.5	K120	Q99-K120 PolarHBondContact N-O 3.2Å
100	R	95.7	Very high	96.1	Very high	121 Å²	121	73.7 Å²	73.7	46%	0.457	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	135.9	-176.9	-162.4	174.7	-177.3	100.6	-2	111.6	V98 V102 L119 K120	V98-R100 WeakPolarHBondContact CG1-O 3.44Å; R100-V102 HydrophobicContact CG-CG2 3.9Å; R100-L119 WeakPolarHBondContact O-CA 3.33Å; R100-K120 HydrophobicContact CB-CB 4.03Å; R100-K120 PolarHBondContact N-O 2.74Å; R100-K120 PolarHBondContact O-N 2.92Å
101	A	96.8	Very high	95.6	Very high	51 Å²	51	78.7 Å²	78.7	42%	0.421	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	117.3	168.9	0	0	0	0	0	109.2	L117 L119	A101-L117 HydrophobicContact CB-CD1 4.09Å; A101-L119 HydrophobicContact CB-CD2 3.81Å
102	V	97.3	Very high	95.3	Very high	20 Å²	20	72.7 Å²	72.7	12%	0.121	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	97.9	-178.2	-172.8	0	0	0	0	108.6	R100 L118 W248 V252 W257	R100-V102 HydrophobicContact CG-CG2 3.9Å; V102-L118 HydrophobicContact CB-CB 4.43Å; V102-L118 PolarHBondContact N-O 2.81Å; V102-L118 PolarHBondContact O-N 3.32Å; V102-W248 HydrophobicContact CG1-CZ2 4.41Å; V102-V252 HydrophobicContact CB-CG1 4.09Å; V102-V252 HydrophobicContact CG1-CG1 3.97Å; V102-V252 HydrophobicContact CG1-CG2 4.02Å; V102-V252 HydrophobicContact CG2-CG1 4.26Å; V102-W257 HydrophobicContact CG2-CE3 4.41Å; V102-W257 HydrophobicContact CG2-CZ3 4.48Å
103	R	97	Very high	95.2	Very high	125 Å²	125	75 Å²	75	47%	0.472	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	147.6	171.7	-72	-177.9	-81.1	-129.3	-4.4	109.6	A65 M68 L117	A65-R103 HydrophobicContact CB-CB 4.49Å; A65-R103 HydrophobicContact CB-CG 4.18Å; M68-R103 PolarHBondContact O-NH1 2.03Å; R103-L117 HydrophobicContact CG-CD1 3.92Å
104	H	97.4	Very high	95.1	Very high	24 Å²	24	74 Å²	74	11%	0.111	37%	0.367	C	S	.	.			trans	-57.8	133.5	168.1	-171	-84.2	0	0	0	109.3	S106 S107 D114 L116 Y245 W248	H104-S106 PolarHBondContact ND1-N 3.39Å; H104-S106 PolarHBondContact O-N 3.15Å; H104-S106 VanDerWaalsContact O-N 3.13Å; H104-S107 VanDerWaalsContact O-CB 3.29Å; H104-S107 WeakPolarHBondContact O-CB 3.06Å; H104-S107 PolarHBondContact O-N 2.88Å; H104-S107 PolarHBondContact O-OG 3.36Å; H104-D114 HydrophobicContact CB-CB 4.5Å; H104-D114 WeakPolarHBondContact CB-O 3.31Å; H104-L116 HydrophobicContact CB-CB 4.38Å; H104-L116 PolarHBondContact N-O 2.98Å; H104-Y245 AromaticContact CD2-CD1 3.61Å; H104-Y245 AromaticContact CD2-CE1 3.93Å; H104-Y245 AromaticContact NE2-CD1 3.51Å; H104-Y245 AromaticContact NE2-CE1 3.68Å; H104-W248 HydrophobicContact CB-CH2 4.22Å; H104-W248 HydrophobicContact CB-CZ2 3.97Å; H104-W248 AromaticContact CD2-CD1 3.88Å; H104-W248 AromaticContact CD2-CD2 3.45Å; H104-W248 VanDerWaalsContact CD2-CD2 3.45Å; H104-W248 AromaticContact CD2-CE2 3.72Å; H104-W248 AromaticContact CD2-CE3 3.84Å; H104-W248 AromaticContact CD2-CG 3.59Å; H104-W248 AromaticContact CD2-NE1 3.95Å
105	P	95.7	Very high	95.1	Very high	93 Å²	93	68.8 Å²	68.8	60%	0.604	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.6	-172.4	-27.7	34.4	0	0	0	114.5
106	S	96.1	Very high	95.1	Very high	67 Å²	67	65.6 Å²	65.6	47%	0.469	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-5.3	179.5	-54.3	0	0	0	0	114.3	H104 D114	H104-S106 PolarHBondContact ND1-N 3.39Å; H104-S106 PolarHBondContact O-N 3.15Å; H104-S106 VanDerWaalsContact O-N 3.13Å; S106-D114 WeakPolarHBondContact CB-OD2 3.04Å
107	S	95.1	Very high	95	Very high	25 Å²	25	65.3 Å²	65.3	18%	0.175	33%	0.33	C	S	.	.			trans	-64.5	138.9	178.2	67.3	0	0	0	0	111.1	H104 D114	H104-S107 VanDerWaalsContact O-CB 3.29Å; H104-S107 WeakPolarHBondContact O-CB 3.06Å; H104-S107 PolarHBondContact O-N 2.88Å; H104-S107 PolarHBondContact O-OG 3.36Å; S107-D114 VanDerWaalsContact CB-O 3.29Å; S107-D114 WeakPolarHBondContact CB-O 2.97Å
108	R	91.3	Very high	95	Very high	139 Å²	139	61.4 Å²	61.4	53%	0.525	31%	0.309	S	S	.	.			trans	-142.8	144.8	178.6	-51.9	-174.4	76.1	175.4	1.8	111.2	D110 R111	R108-D110 WeakPolarHBondContact CB-OD1 3.44Å; R108-D110 IonicContact NE-OD1 3.8Å; R108-D110 PolarHBondContact O-N 3.3Å; R108-D110 VanDerWaalsContact O-N 3.14Å; R108-R111 PolarHBondContact O-N 2.96Å; R108-R111 VanDerWaalsContact O-N 3.16Å; R108-R111 VanDerWaalsContact O-O 3.08Å
109	P	88.7	Confident	95.1	Very high	106 Å²	106	60 Å²	60	69%	0.688	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-22.1	179.8	-25.1	34.7	0	0	0	115.1
110	D	86.8	Confident	95.1	Very high	111 Å²	111	56.5 Å²	56.5	59%	0.594	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.2	-178.6	66.7	-48.1	0	0	0	113.8	R108	R108-D110 WeakPolarHBondContact CB-OD1 3.44Å; R108-D110 IonicContact NE-OD1 3.8Å; R108-D110 PolarHBondContact O-N 3.3Å; R108-D110 VanDerWaalsContact O-N 3.14Å
111	R	87.6	Confident	95.3	Very high	133 Å²	133	50.8 Å²	50.8	50%	0.502	26%	0.262	S	S	.	.			trans	-134	160.1	-176.3	-57.9	-172.3	-174.9	-164.4	-2.4	111.3	R108	R108-R111 PolarHBondContact O-N 2.96Å; R108-R111 VanDerWaalsContact O-N 3.16Å; R108-R111 VanDerWaalsContact O-O 3.08Å
112	I	91.4	Very high	95.3	Very high	20 Å²	20	50.9 Å²	50.9	10%	0.103	26%	0.26	C	S	.	.	S	Bend	trans	-102.1	-8.5	177.9	60.3	159.5	0	0	0	112.5	V189 M194 W225 V238	I112-V189 HydrophobicContact CD1-CG1 3.68Å; I112-V189 HydrophobicContact CG1-CG1 4.23Å; I112-M194 HydrophobicContact CB-CE 4.4Å; I112-M194 HydrophobicContact CD1-CE 3.72Å; I112-M194 HydrophobicContact CD1-SD 3.68Å; I112-M194 HydrophobicContact CG1-CE 3.64Å; I112-M194 HydrophobicContact CG1-SD 4.29Å; I112-W225 HydrophobicContact CB-CD2 4.43Å; I112-W225 HydrophobicContact CB-CE3 4.44Å; I112-W225 HydrophobicContact CD1-CD2 4.31Å; I112-W225 HydrophobicContact CD1-CE3 3.54Å; I112-W225 HydrophobicContact CD1-CH2 4.19Å; I112-W225 HydrophobicContact CD1-CZ3 3.49Å; I112-W225 VanDerWaalsContact CD1-CZ3 3.49Å; I112-W225 HydrophobicContact CG1-CE3 4.49Å; I112-W225 HydrophobicContact CG2-CB 3.96Å; I112-W225 HydrophobicContact CG2-CD2 3.44Å; I112-W225 VanDerWaalsContact CG2-CD2 3.44Å; I112-W225 HydrophobicContact CG2-CE3 3.85Å; I112-W225 HydrophobicContact CG2-CG 3.52Å; I112-W225 HydrophobicContact CG2-CZ2 4.25Å; I112-W225 HydrophobicContact CG2-CZ3 4.42Å; I112-V238 HydrophobicContact CD1-CG1 4.49Å
113	E	95	Very high	95.3	Very high	71 Å²	71	54 Å²	54	33%	0.332	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	150.1	178.2	-65.4	171.1	-102.7	0	0	110.4	D115 T191 M194	E113-D115 PolarHBondContact O-N 2.86Å; E113-T191 HydrophobicContact CG-CG2 3.94Å; E113-M194 HydrophobicContact CB-CE 4.09Å; E113-M194 HydrophobicContact CG-CE 3.5Å
114	D	96.6	Very high	95.4	Very high	25 Å²	25	52 Å²	52	13%	0.134	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.1	24.8	173	-52.2	-38.5	0	0	0	114	H104 S106 S107 L116 Y245	H104-D114 HydrophobicContact CB-CB 4.5Å; H104-D114 WeakPolarHBondContact CB-O 3.31Å; S106-D114 WeakPolarHBondContact CB-OD2 3.04Å; S107-D114 VanDerWaalsContact CB-O 3.29Å; S107-D114 WeakPolarHBondContact CB-O 2.97Å; D114-L116 PolarHBondContact O-N 2.8Å; D114-Y245 WeakPolarHBondContact CA-OH 3.48Å; D114-Y245 HydrophobicContact CB-CE1 4.27Å; D114-Y245 PolarHBondContact N-OH 3.3Å; D114-Y245 WeakPolarHBondContact OD1-CE1 3.07Å; D114-Y245 VanDerWaalsContact OD1-CZ 3.24Å; D114-Y245 PolarHBondContact OD1-OH 2.92Å
115	D	97.1	Very high	95.4	Very high	9 Å²	9	51.2 Å²	51.2	5%	0.048	27%	0.268	C	S	.	.			trans	-76.5	64.5	-174.4	-175	24.6	0	0	0	112	A64 A65 H66 E113	A64-D115 WeakPolarHBondContact CA-O 3.36Å; A65-D115 WeakPolarHBondContact CA-OD1 3.46Å; A65-D115 WeakPolarHBondContact CB-OD1 3.38Å; A65-D115 PolarHBondContact N-OD1 2.92Å; H66-D115 IonicContact CE1-OD2 3.28Å; H66-D115 PolarHBondContact CE1-OD2 2.78Å; H66-D115 VanDerWaalsContact CE1-OD2 3.28Å; H66-D115 IonicContact CG-OD1 3.77Å; H66-D115 IonicContact CG-OD2 3.89Å; H66-D115 PolarHBondContact N-OD1 2.8Å; H66-D115 VanDerWaalsContact ND1-CG 3.26Å; H66-D115 IonicContact ND1-OD1 3.05Å; H66-D115 PolarHBondContact ND1-OD1 2.81Å; H66-D115 IonicContact ND1-OD2 2.7Å; H66-D115 PolarHBondContact ND1-OD2 2.81Å; E113-D115 PolarHBondContact O-N 2.86Å
116	L	98.3	Very high	95.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.264	C	S	.	.			trans	-124.8	143.7	179.3	-65.8	177.8	0	0	0	112.5	L62 H104 D114 V222 T240 L242 Y245 W248	L62-L116 HydrophobicContact CD1-CD2 4.34Å; H104-L116 HydrophobicContact CB-CB 4.38Å; H104-L116 PolarHBondContact N-O 2.98Å; D114-L116 PolarHBondContact O-N 2.8Å; L116-V222 HydrophobicContact CD2-CB 3.98Å; L116-V222 HydrophobicContact CD2-CG1 4.34Å; L116-V222 HydrophobicContact CD2-CG2 4.01Å; L116-T240 HydrophobicContact CD1-CG2 4.08Å; L116-T240 HydrophobicContact CD2-CG2 3.92Å; L116-T240 HydrophobicContact CG-CG2 3.81Å; L116-L242 HydrophobicContact CD1-CD2 4.21Å; L116-L242 HydrophobicContact CD2-CD2 3.81Å; L116-Y245 HydrophobicContact CD1-CD1 3.93Å; L116-Y245 HydrophobicContact CD1-CD2 3.56Å; L116-Y245 HydrophobicContact CD1-CE2 4.2Å; L116-Y245 HydrophobicContact CD1-CG 3.41Å; L116-Y245 VanDerWaalsContact CD1-CG 3.41Å; L116-W248 HydrophobicContact CB-CH2 3.95Å; L116-W248 HydrophobicContact CB-CZ3 3.65Å; L116-W248 HydrophobicContact CD1-CE3 4.31Å; L116-W248 HydrophobicContact CD1-CZ3 4.01Å; L116-W248 HydrophobicContact CG-CZ3 4.5Å
117	L	98.2	Very high	95.4	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.1	179.3	175.3	63.9	0	0	0	109.9	L62 S63 A64 M68 A101 R103 L119	L62-L117 CarbonylContact C-O 3.31Å; L62-L117 WeakPolarHBondContact CA-O 3.18Å; S63-L117 PolarHBondContact N-O 2.89Å; S63-L117 PolarHBondContact O-N 3.09Å; A64-L117 WeakPolarHBondContact O-CB 3.28Å; A64-L117 WeakPolarHBondContact O-CD2 3.5Å; M68-L117 HydrophobicContact CG-CD1 4.19Å; M68-L117 HydrophobicContact CG-CD2 3.48Å; M68-L117 VanDerWaalsContact CG-CD2 3.48Å; M68-L117 HydrophobicContact CG-CG 4.5Å; M68-L117 HydrophobicContact SD-CD2 4.25Å; A101-L117 HydrophobicContact CB-CD1 4.09Å; R103-L117 HydrophobicContact CG-CD1 3.92Å; L117-L119 HydrophobicContact CD1-CD2 4.13Å; L117-L119 HydrophobicContact CD2-CD1 4.39Å; L117-L119 HydrophobicContact CD2-CD2 3.81Å; L117-L119 HydrophobicContact CD2-CG 4.06Å; L117-L119 HydrophobicContact CG-CD2 3.94Å; L117-L119 HydrophobicContact CG-CG 4.06Å
118	L	98.6	Very high	95.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	123.6	166.6	-80.3	165.2	0	0	0	110	V56 W60 L62 V102 W248 I249 V252	V56-L118 HydrophobicContact CG2-CD2 4.32Å; W60-L118 HydrophobicContact CE3-CB 3.97Å; W60-L118 HydrophobicContact CE3-CD2 4.33Å; W60-L118 HydrophobicContact CZ3-CB 3.94Å; L62-L118 HydrophobicContact CB-CD2 4.27Å; L62-L118 HydrophobicContact CD1-CD2 3.92Å; L62-L118 HydrophobicContact CD1-CG 4.1Å; V102-L118 HydrophobicContact CB-CB 4.43Å; V102-L118 PolarHBondContact N-O 2.81Å; V102-L118 PolarHBondContact O-N 3.32Å; L118-W248 HydrophobicContact CB-CH2 4.41Å; L118-W248 HydrophobicContact CD1-CE3 4.45Å; L118-W248 HydrophobicContact CD1-CH2 3.85Å; L118-W248 HydrophobicContact CD1-CZ2 4.35Å; L118-W248 HydrophobicContact CD1-CZ3 3.9Å; L118-W248 HydrophobicContact CG-CH2 4Å; L118-W248 HydrophobicContact CG-CZ3 4.24Å; L118-I249 HydrophobicContact CD1-CB 4.41Å; L118-I249 HydrophobicContact CD1-CG1 4.45Å; L118-I249 HydrophobicContact CD1-CG2 4.22Å; L118-V252 HydrophobicContact CB-CG1 3.93Å; L118-V252 HydrophobicContact CD1-CB 3.64Å; L118-V252 HydrophobicContact CD1-CG1 3.4Å; L118-V252 VanDerWaalsContact CD1-CG1 3.4Å; L118-V252 HydrophobicContact CD1-CG2 4.33Å; L118-V252 HydrophobicContact CG-CG1 4.29Å
119	L	98.6	Very high	95.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	114.1	176.4	-62.2	173.8	0	0	0	108.7	V43 W60 V61 V79 V98 R100 A101 L117	V43-L119 HydrophobicContact CG1-CD1 3.95Å; V43-L119 HydrophobicContact CG2-CD1 3.73Å; W60-L119 WeakPolarHBondContact CA-O 3.23Å; V61-L119 HydrophobicContact CB-CB 4.3Å; V61-L119 PolarHBondContact N-O 2.89Å; V61-L119 PolarHBondContact O-N 2.85Å; V79-L119 HydrophobicContact CG2-CB 4.49Å; V79-L119 HydrophobicContact CG2-CD1 3.72Å; V98-L119 HydrophobicContact CG1-CB 4.43Å; V98-L119 HydrophobicContact CG1-CD2 3.92Å; V98-L119 HydrophobicContact CG2-CB 4.37Å; V98-L119 HydrophobicContact CG2-CD2 4.33Å; R100-L119 WeakPolarHBondContact O-CA 3.33Å; A101-L119 HydrophobicContact CB-CD2 3.81Å; L117-L119 HydrophobicContact CD1-CD2 4.13Å; L117-L119 HydrophobicContact CD2-CD1 4.39Å; L117-L119 HydrophobicContact CD2-CD2 3.81Å; L117-L119 HydrophobicContact CD2-CG 4.06Å; L117-L119 HydrophobicContact CG-CD2 3.94Å; L117-L119 HydrophobicContact CG-CG 4.06Å
120	K	98.4	Very high	96.2	Very high	47 Å²	47	50.3 Å²	50.3	20%	0.204	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	120.3	170.3	-161.7	172.4	179	171.4	0	109.1	Q59 W60 V98 Q99 R100	Q59-K120 HydrophobicContact CG-CG 4.39Å; Q59-K120 WeakPolarHBondContact O-CA 3.17Å; W60-K120 HydrophobicContact CD2-CB 4.42Å; W60-K120 HydrophobicContact CD2-CG 4.36Å; W60-K120 HydrophobicContact CE3-CB 3.94Å; W60-K120 HydrophobicContact CE3-CG 4.37Å; W60-K120 HydrophobicContact CH2-CB 3.52Å; W60-K120 HydrophobicContact CH2-CD 3.74Å; W60-K120 HydrophobicContact CH2-CG 3.77Å; W60-K120 HydrophobicContact CZ2-CB 4.06Å; W60-K120 HydrophobicContact CZ2-CD 3.6Å; W60-K120 HydrophobicContact CZ2-CG 3.77Å; W60-K120 HydrophobicContact CZ3-CB 3.47Å; W60-K120 VanDerWaalsContact CZ3-CB 3.47Å; W60-K120 HydrophobicContact CZ3-CG 4.1Å; V98-K120 CarbonylContact C-O 3.52Å; Q99-K120 PolarHBondContact N-O 3.2Å; R100-K120 HydrophobicContact CB-CB 4.03Å; R100-K120 PolarHBondContact N-O 2.74Å; R100-K120 PolarHBondContact O-N 2.92Å
121	L	98.6	Very high	96.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	149.5	176.1	-53.5	-179.4	0	0	0	110.3	Q59 V61 V79 L81 Y96 Q123 V125	Q59-L121 HydrophobicContact CG-CB 4.26Å; Q59-L121 WeakPolarHBondContact CG-O 3.45Å; Q59-L121 PolarHBondContact NE2-O 2.58Å; Q59-L121 PolarHBondContact O-N 3.34Å; V61-L121 HydrophobicContact CG2-CD1 4.25Å; V61-L121 HydrophobicContact CG2-CD2 4.29Å; V61-L121 HydrophobicContact CG2-CG 4.47Å; V79-L121 HydrophobicContact CB-CD2 3.84Å; V79-L121 HydrophobicContact CG2-CD2 3.82Å; L81-L121 HydrophobicContact CD1-CD1 4.18Å; Y96-L121 HydrophobicContact CD1-CD1 4.44Å; Y96-L121 HydrophobicContact CG-CD1 4.3Å; L121-Q123 WeakPolarHBondContact CB-O 3.04Å; L121-Q123 PolarHBondContact O-N 3.41Å; L121-V125 HydrophobicContact CD1-CG1 3.35Å
122	S	97.9	Very high	97.3	Very high	53 Å²	53	41.1 Å²	41.1	37%	0.371	23%	0.231	S	C	.	.	S	Bend	trans	-66.5	-18.7	179.7	62.4	0	0	0	0	114.2	D97	D97-S122 PolarHBondContact O-N 2.85Å; D97-S122 PolarHBondContact O-OG 3Å
123	Q	97.8	Very high	97.6	Very high	86 Å²	86	42.3 Å²	42.3	40%	0.402	24%	0.24	S	C	.	.	S	Bend	trans	-150.5	157.9	178.9	64.1	-174.8	14.5	0	0	109.8	Y96 L121	Y96-Q123 HydrophobicContact CD1-CG 3.84Å; Y96-Q123 HydrophobicContact CE1-CG 4.03Å; L121-Q123 WeakPolarHBondContact CB-O 3.04Å; L121-Q123 PolarHBondContact O-N 3.41Å
124	N	98	Very high	97.8	Very high	82 Å²	82	40.7 Å²	40.7	44%	0.439	23%	0.234	S	C	.	.			trans	-62.2	144.8	174	-67.6	25.2	0	0	0	110.9	E58 Q59	E58-N124 HydrophobicContact CB-CB 4.43Å; E58-N124 CarbonylContact O-C 3.59Å; E58-N124 WeakPolarHBondContact O-CA 3.06Å; E58-N124 PolarHBondContact OE2-ND2 2.98Å; Q59-N124 PolarHBondContact OE1-OD1 2.8Å
125	V	97.5	Very high	97.8	Very high	8 Å²	8	42.8 Å²	42.8	5%	0.048	25%	0.249	C	C	.	.			trans	-74.5	148.9	173.7	-55.2	0	0	0	0	110.5	L55 E58 L81 Y96 L121 L127 V131	L55-V125 HydrophobicContact CD1-CG1 4.04Å; L55-V125 HydrophobicContact CD1-CG2 4.37Å; L55-V125 HydrophobicContact CD2-CG2 4.05Å; E58-V125 HydrophobicContact CB-CG2 4.46Å; E58-V125 WeakPolarHBondContact O-CG1 3.32Å; E58-V125 WeakPolarHBondContact O-CG2 3.27Å; E58-V125 PolarHBondContact O-N 2.86Å; L81-V125 HydrophobicContact CD1-CB 4.29Å; L81-V125 HydrophobicContact CD1-CG1 3.41Å; L81-V125 VanDerWaalsContact CD1-CG1 3.41Å; Y96-V125 HydrophobicContact CD1-CG1 4.45Å; Y96-V125 HydrophobicContact CE1-CB 4.36Å; Y96-V125 HydrophobicContact CE1-CG1 4.05Å; Y96-V125 HydrophobicContact CE2-CG1 4.3Å; L121-V125 HydrophobicContact CD1-CG1 3.35Å; V125-L127 HydrophobicContact CG2-CD2 3.57Å; V125-L127 HydrophobicContact CG2-CG 4.23Å; V125-L127 PolarHBondContact O-N 2.88Å; V125-V131 HydrophobicContact CB-CG1 4.32Å; V125-V131 HydrophobicContact CG2-CG1 4.32Å
126	S	94.1	Very high	97.9	Very high	74 Å²	74	44.2 Å²	44.2	52%	0.517	26%	0.256	S	S	.	.			trans	-86	100.3	172.1	-54.8	0	0	0	0	108.3	Y96	Y96-S126 PolarHBondContact OH-N 2.86Å
127	L	97.8	Very high	97.8	Very high	83 Å²	83	44.6 Å²	44.6	44%	0.435	26%	0.258	S	S	.	.			trans	-64.1	146.6	-179.7	-63.2	-176.9	0	0	0	112	L55 E58 V125 V131 P133	L55-L127 HydrophobicContact CD2-CD2 4.42Å; E58-L127 HydrophobicContact CG-CD1 3.85Å; E58-L127 HydrophobicContact CG-CG 4.25Å; V125-L127 HydrophobicContact CG2-CD2 3.57Å; V125-L127 HydrophobicContact CG2-CG 4.23Å; V125-L127 PolarHBondContact O-N 2.88Å; L127-V131 WeakPolarHBondContact CA-O 3.38Å; L127-P133 HydrophobicContact CD2-CG 4.27Å
128	G	96.8	Very high	97.5	Very high	33 Å²	33	47.3 Å²	47.3	34%	0.34	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-178.8	-172.4	-179.4	0	0	0	0	0	112.7	Y130 V131	G128-Y130 PolarHBondContact O-N 3.02Å; G128-V131 PolarHBondContact N-O 3.09Å; G128-V131 CarbonylContact O-C 3.39Å; G128-V131 PolarHBondContact O-N 3.41Å
129	P	97.3	Very high	97.4	Very high	105 Å²	105	53 Å²	53	68%	0.682	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.9	-175.7	25.2	-34.9	0	0	0	114
130	Y	98.1	Very high	97.3	Very high	117 Å²	117	58 Å²	58	46%	0.459	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-4.8	-176.6	-49.8	-48	0	0	0	113.2	H35 P38 G82 G128	H35-Y130 HydrophobicContact CB-CD1 3.33Å; H35-Y130 HydrophobicContact CB-CE1 3.93Å; H35-Y130 HydrophobicContact CB-CG 4.04Å; H35-Y130 AromaticContact CG-CD1 3.82Å; P38-Y130 WeakPolarHBondContact CA-O 3.32Å; G82-Y130 WeakPolarHBondContact CA-O 3.39Å; G128-Y130 PolarHBondContact O-N 3.02Å
131	V	98.6	Very high	97.1	Very high	10 Å²	10	60.2 Å²	60.2	6%	0.061	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-141.6	103.6	178.6	-177.1	0	0	0	0	107.8	P38 L55 L81 V125 L127 G128	P38-V131 VanDerWaalsContact O-CA 3.3Å; P38-V131 WeakPolarHBondContact O-CA 3.5Å; L55-V131 HydrophobicContact CD2-CG1 3.79Å; L81-V131 HydrophobicContact CB-CG1 4.3Å; L81-V131 HydrophobicContact CB-CG2 4.34Å; L81-V131 HydrophobicContact CD1-CG1 4.28Å; V125-V131 HydrophobicContact CB-CG1 4.32Å; V125-V131 HydrophobicContact CG2-CG1 4.32Å; L127-V131 WeakPolarHBondContact CA-O 3.38Å; G128-V131 PolarHBondContact N-O 3.09Å; G128-V131 CarbonylContact O-C 3.39Å; G128-V131 PolarHBondContact O-N 3.41Å
132	S	98.4	Very high	96.9	Very high	40 Å²	40	64.2 Å²	64.2	28%	0.28	36%	0.359	S	S	.	.			trans	-151.7	141	178.9	66.5	0	0	0	0	110.9	P38 S39	P38-S132 CarbonylContact C-O 3.46Å; P38-S132 WeakPolarHBondContact CB-OG 3.49Å; P38-S132 WeakPolarHBondContact CG-OG 3.3Å; P38-S132 PolarHBondContact O-N 2.83Å; S39-S132 WeakPolarHBondContact CA-O 3.37Å; S39-S132 WeakPolarHBondContact CB-O 3.31Å; S39-S132 PolarHBondContact N-O 3.4Å
133	P	98.4	Very high	96.9	Very high	46 Å²	46	62.3 Å²	62.3	30%	0.299	35%	0.345	S	S	.	.			trans	-61.7	154.3	176.8	-22.5	32.5	0	0	0	112.5	L55 L127	L55-P133 HydrophobicContact CD2-CG 4.18Å; L55-P133 HydrophobicContact CG-CG 4.27Å; L55-P133 VanDerWaalsContact O-CA 3.23Å; L55-P133 WeakPolarHBondContact O-CA 3.13Å; L127-P133 HydrophobicContact CD2-CG 4.27Å
134	L	98.1	Very high	97	Very high	36 Å²	36	61 Å²	61	19%	0.188	35%	0.349	C	S	.	.			trans	-115.6	130.3	169.6	-171.5	71.6	0	0	0	109.2	S39 T54 L55 V214 V219	S39-L134 WeakPolarHBondContact OG-CB 3.3Å; T54-L134 HydrophobicContact CG2-CB 4.27Å; L55-L134 PolarHBondContact O-N 2.95Å; L55-L134 VanDerWaalsContact O-N 3.08Å; L134-V214 HydrophobicContact CD2-CG1 4.16Å; L134-V214 HydrophobicContact CD2-CG2 3.61Å; L134-V219 HydrophobicContact CB-CG2 4.24Å; L134-V219 HydrophobicContact CD2-CG2 3.56Å; L134-V219 HydrophobicContact CG-CG2 3.98Å
135	P	97.6	Very high	97	Very high	70 Å²	70	61 Å²	61	46%	0.455	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-65.1	143.4	-178	25.8	-33.6	0	0	0	111.6	K218 V219	P135-K218 HydrophobicContact CG-CG 4.3Å; P135-K218 VanDerWaalsContact O-CA 3.3Å; P135-K218 WeakPolarHBondContact O-CA 3.48Å; P135-V219 PolarHBondContact O-N 2.8Å
136	L	98.1	Very high	97	Very high	39 Å²	39	62.9 Å²	62.9	20%	0.204	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-83.2	150.8	174.6	-54.2	-173.1	0	0	0	110.7	V56 L62 S138 V219 L242 I249	V56-L136 HydrophobicContact CG1-CD1 4.12Å; V56-L136 HydrophobicContact CG1-CD2 3.56Å; V56-L136 HydrophobicContact CG1-CG 4.05Å; L62-L136 HydrophobicContact CD2-CD1 4.18Å; L62-L136 HydrophobicContact CD2-CD2 4.1Å; L136-S138 PolarHBondContact O-N 2.93Å; L136-V219 HydrophobicContact CD2-CB 3.78Å; L136-V219 HydrophobicContact CD2-CG1 4.42Å; L136-V219 HydrophobicContact CD2-CG2 3.91Å; L136-L242 HydrophobicContact CB-CD1 4.48Å; L136-L242 HydrophobicContact CD1-CD1 4.45Å; L136-L242 HydrophobicContact CD2-CD1 3.67Å; L136-L242 HydrophobicContact CG-CD1 4.42Å; L136-I249 HydrophobicContact CD1-CD1 3.86Å; L136-I249 HydrophobicContact CD1-CG2 3.87Å
137	Q	97.6	Very high	97.2	Very high	7 Å²	7	61.8 Å²	61.8	3%	0.033	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-66.9	127.1	165.2	-177.5	64	-86.1	0	0	109.9	E139 K218 V219 E220	Q137-E139 WeakPolarHBondContact CG-O 3.42Å; Q137-K218 VanDerWaalsContact OE1-NZ 3.13Å; Q137-V219 PolarHBondContact N-O 2.86Å; Q137-E220 VanDerWaalsContact CB-OE2 3.24Å; Q137-E220 WeakPolarHBondContact CB-OE2 3.44Å; Q137-E220 WeakPolarHBondContact CG-OE2 3.41Å; Q137-E220 PolarHBondContact NE2-OE1 3.05Å
138	S	92.3	Very high	97.3	Very high	58 Å²	58	63.4 Å²	63.4	41%	0.406	37%	0.373	S	S	.	.			trans	-113.5	-17.9	179.2	56	0	0	0	0	113.3	L136	L136-S138 PolarHBondContact O-N 2.93Å
139	E	95.6	Very high	97.4	Very high	118 Å²	118	61.9 Å²	61.9	55%	0.551	36%	0.357	S	S	*	.	S	Bend	trans	-80.6	123	174.8	-173.1	-178.7	-170.4	0	0	109.3	Q137 R141 S243	Q137-E139 WeakPolarHBondContact CG-O 3.42Å; E139-R141 VanDerWaalsContact C-N 3.33Å; E139-R141 HydrophobicContact CB-CG 4.45Å; E139-R141 HydrophobicContact CG-CG 4.12Å; E139-R141 PolarHBondContact O-N 2.83Å; E139-R141 IonicContact OE2-NE 3.99Å; E139-R141 PolarHBondContact OE2-NE 3.31Å; E139-S243 VanDerWaalsContact O-CB 3.28Å; E139-S243 WeakPolarHBondContact O-CB 3.4Å
140	D	95.5	Very high	97.4	Very high	106 Å²	106	59.1 Å²	59.1	57%	0.567	34%	0.337	S	S	*	.			trans	-77.1	88.3	176.9	-167.4	30.4	0	0	0	111.1	R241 S243	D140-R241 IonicContact OD1-CZ 3.5Å; D140-R241 IonicContact OD1-NE 2.82Å; D140-R241 PolarHBondContact OD1-NE 3.26Å; D140-R241 IonicContact OD1-NH2 3.89Å; D140-R241 PolarHBondContact OD1-NH2 3.39Å; D140-R241 IonicContact OD2-NH2 3.49Å; D140-S243 PolarHBondContact OD1-OG 3.26Å
141	R	94.9	Very high	97.4	Very high	93 Å²	93	53.7 Å²	53.7	35%	0.351	32%	0.316	S	S	.	.			trans	-140.9	148	174.4	59.9	167.6	-171.9	67.9	7.8	110.3	E139 E220	E139-R141 VanDerWaalsContact C-N 3.33Å; E139-R141 HydrophobicContact CB-CG 4.45Å; E139-R141 HydrophobicContact CG-CG 4.12Å; E139-R141 PolarHBondContact O-N 2.83Å; E139-R141 IonicContact OE2-NE 3.99Å; E139-R141 PolarHBondContact OE2-NE 3.31Å; R141-E220 IonicContact CZ-OE1 2.68Å; R141-E220 IonicContact NH1-OE1 3.65Å; R141-E220 IonicContact NH2-OE1 3.2Å; R141-E220 PolarHBondContact NH2-OE1 3.06Å
142	D	95.6	Very high	97.3	Very high	85 Å²	85	53.2 Å²	53.2	46%	0.455	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-72	146.2	167.6	-80.6	-32.4	0	0	0	110.7	R177 R241	D142-R177 IonicContact OD1-CZ 3.62Å; D142-R177 IonicContact OD1-NH1 3.5Å; D142-R177 IonicContact OD1-NH2 2.82Å; D142-R177 PolarHBondContact OD1-NH2 2.94Å; D142-R177 IonicContact OD2-CZ 3.58Å; D142-R177 IonicContact OD2-NH1 3.54Å; D142-R177 PolarHBondContact OD2-NH1 2.99Å; D142-R177 IonicContact OD2-NH2 2.73Å; D142-R177 PolarHBondContact OD2-NH2 3.25Å; D142-R241 IonicContact OD1-CZ 3.46Å; D142-R241 IonicContact OD1-NH1 3.79Å; D142-R241 PolarHBondContact OD1-NH1 3.44Å
143	V	97.9	Very high	97.3	Very high	12 Å²	12	51.3 Å²	51.3	7%	0.073	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-79.3	133	168.8	-171.1	0	0	0	0	108	T147 I174 E220	V143-T147 HydrophobicContact CG1-CG2 3.74Å; V143-I174 HydrophobicContact CB-CG1 4.07Å; V143-I174 HydrophobicContact CB-CG2 4.47Å; V143-I174 HydrophobicContact CG1-CG1 3.73Å; V143-E220 HydrophobicContact CG2-CB 4.18Å; V143-E220 HydrophobicContact CG2-CG 3.79Å
144	A	98.3	Very high	97.3	Very high	60 Å²	60	49.1 Å²	49.1	50%	0.496	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-61.1	137	-176.4	0	0	0	0	0	111.6	T147	A144-T147 WeakPolarHBondContact O-CB 3.45Å; A144-T147 PolarHBondContact O-N 3.48Å; A144-T147 VanDerWaalsContact O-N 3.12Å; A144-T147 PolarHBondContact O-OG1 2.89Å
145	P	98.5	Very high	97.1	Very high	80 Å²	80	47.4 Å²	47.4	52%	0.519	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	142.7	174.2	-25.7	34.7	0	0	0	112.3	T147 D176	P145-T147 PolarHBondContact O-N 3.18Å; P145-D176 HydrophobicContact CB-CB 4.16Å; P145-D176 HydrophobicContact CG-CB 3.67Å
146	G	98.3	Very high	96.8	Very high	48 Å²	48	44.3 Å²	44.3	50%	0.495	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.8	-11.3	-175.4	0	0	0	0	0	114.9	L148 I174	G146-L148 PolarHBondContact O-N 2.88Å; G146-I174 PolarHBondContact N-O 3.22Å
147	T	98.7	Very high	96.3	Very high	51 Å²	51	42.9 Å²	42.9	31%	0.313	25%	0.249	S	C	.	.			trans	-57.3	131.1	172.2	-59.4	0	0	0	0	109.7	V143 A144 P145 P173 I174	V143-T147 HydrophobicContact CG1-CG2 3.74Å; A144-T147 WeakPolarHBondContact O-CB 3.45Å; A144-T147 PolarHBondContact O-N 3.48Å; A144-T147 VanDerWaalsContact O-N 3.12Å; A144-T147 PolarHBondContact O-OG1 2.89Å; P145-T147 PolarHBondContact O-N 3.18Å; T147-P173 CarbonylContact O-C 3.55Å; T147-P173 WeakPolarHBondContact O-CA 3.34Å; T147-I174 WeakPolarHBondContact O-CG1 3.47Å; T147-I174 PolarHBondContact O-N 3.15Å
148	L	98.4	Very high	95.7	Very high	117 Å²	117	44.1 Å²	44.1	61%	0.613	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	124.7	177.2	-63.1	-179.8	0	0	0	110.1	G146 T171 P173	G146-L148 PolarHBondContact O-N 2.88Å; L148-T171 HydrophobicContact CB-CG2 3.85Å; L148-T171 HydrophobicContact CD1-CG2 4.48Å; L148-T171 HydrophobicContact CD2-CG2 4.35Å; L148-T171 HydrophobicContact CG-CG2 4.45Å; L148-P173 HydrophobicContact CD2-CB 4.07Å
149	C	98.5	Very high	95.3	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.007	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	153.1	176.3	-55.9	0	0	0	0	109.6	T171 V172 I174 L213 V214 C215	C149-T171 CarbonylContact O-C 3.57Å; C149-T171 VanDerWaalsContact O-CA 3.31Å; C149-T171 WeakPolarHBondContact O-CA 3.32Å; C149-V172 PolarHBondContact N-O 3.14Å; C149-V172 PolarHBondContact O-N 3.31Å; C149-I174 HydrophobicContact CB-CD1 4.41Å; C149-L213 HydrophobicContact CB-CD1 3.6Å; C149-L213 HydrophobicContact CB-CG 4.12Å; C149-V214 CarbonylContact C-O 3.49Å; C149-V214 VanDerWaalsContact CA-O 3.27Å; C149-V214 WeakPolarHBondContact CA-O 3.47Å; C149-V214 WeakPolarHBondContact CB-O 3.47Å; C149-C215 HydrophobicContact CB-CB 4.05Å; C149-C215 WeakPolarHBondContact CB-SG 3.28Å; C149-C215 WeakPolarHBondContact SG-CB 3.39Å; C149-C215 CovalentContact SG-SG 2.03Å; C149-C215 PolarHBondContact SG-SG 3.28Å
150	D	98.3	Very high	94.8	Very high	48 Å²	48	47.7 Å²	47.7	26%	0.257	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	142.4	179.5	-73.1	-51.1	0	0	0	111.2	W37 K169 L170 T171 V214	W37-D150 HydrophobicContact CH2-CB 3.54Å; W37-D150 HydrophobicContact CZ2-CB 3.66Å; D150-K169 IonicContact OD1-NZ 2.8Å; D150-L170 CarbonylContact C-O 3.56Å; D150-L170 WeakPolarHBondContact CA-O 3.46Å; D150-T171 WeakPolarHBondContact OD1-CB 3.26Å; D150-T171 PolarHBondContact OD1-OG1 3.33Å; D150-V214 PolarHBondContact N-O 3.13Å; D150-V214 PolarHBondContact O-N 3.39Å
151	V	97.5	Very high	94.4	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	140.8	171.7	-178.8	0	0	0	0	107.9	K169 L170 V172 P212 L213 V223 F239	V151-K169 CarbonylContact O-C 3.6Å; V151-K169 VanDerWaalsContact O-CA 3.23Å; V151-K169 WeakPolarHBondContact O-CA 2.86Å; V151-L170 PolarHBondContact N-O 2.88Å; V151-L170 PolarHBondContact O-N 3.01Å; V151-V172 HydrophobicContact CG2-CG2 4.07Å; V151-P212 WeakPolarHBondContact CA-O 3.27Å; V151-L213 HydrophobicContact CG2-CB 4.45Å; V151-L213 HydrophobicContact CG2-CD1 3.43Å; V151-L213 VanDerWaalsContact CG2-CD1 3.43Å; V151-V223 HydrophobicContact CG1-CG2 3.93Å; V151-F239 HydrophobicContact CG2-CE1 3.78Å; V151-F239 HydrophobicContact CG2-CZ 3.86Å
152	A	97.6	Very high	94.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	151.2	176.1	0	0	0	0	0	111.4	W37 M40 L167 Q168 K169	W37-A152 HydrophobicContact CD2-CB 3.75Å; W37-A152 HydrophobicContact CE3-CB 3.84Å; W37-A152 HydrophobicContact CG-CB 4.29Å; W37-A152 HydrophobicContact CH2-CB 4.17Å; W37-A152 HydrophobicContact CZ2-CB 4.09Å; W37-A152 HydrophobicContact CZ3-CB 4.03Å; M40-A152 WeakPolarHBondContact CE-O 3.47Å; M40-A152 HydrophobicContact SD-CB 4.22Å; A152-L167 HydrophobicContact CB-CD1 4.17Å; A152-L167 HydrophobicContact CB-CD2 4.44Å; A152-L167 HydrophobicContact CB-CG 4.44Å; A152-Q168 WeakPolarHBondContact CA-O 3.13Å; A152-Q168 WeakPolarHBondContact CB-O 3.17Å; A152-K169 HydrophobicContact CB-CB 4.33Å
153	G	97.6	Very high	94.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.9	170	-175.6	0	0	0	0	0	114.7	Q168 D208	G153-Q168 PolarHBondContact N-O 3.04Å; G153-Q168 PolarHBondContact O-N 2.81Å; G153-D208 WeakPolarHBondContact CA-OD1 3.18Å
154	W	97.9	Very high	94.1	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	27%	0.274	C	S	.	.	S	Bend	trans	-109.4	23.5	173.7	-61.2	-95.7	0	0	0	111.5	M40 H49 A83 H84 L86 P164 L167	M40-W154 HydrophobicContact CB-CH2 4.3Å; M40-W154 HydrophobicContact CE-CE3 4.21Å; M40-W154 HydrophobicContact CE-CZ3 3.75Å; M40-W154 HydrophobicContact CG-CH2 3.51Å; M40-W154 HydrophobicContact CG-CZ3 3.47Å; M40-W154 VanDerWaalsContact CG-CZ3 3.47Å; M40-W154 HydrophobicContact SD-CZ3 4.48Å; H49-W154 AromaticContact CE1-CE3 3.92Å; A83-W154 HydrophobicContact CB-CZ2 4.47Å; H84-W154 PolarHBondContact O-NE1 2.9Å; L86-W154 HydrophobicContact CD1-CB 3.93Å; L86-W154 HydrophobicContact CD1-CG 3.91Å; L86-W154 HydrophobicContact CD2-CD2 4.03Å; L86-W154 HydrophobicContact CD2-CG 4.04Å; L86-W154 HydrophobicContact CG-CD2 4.48Å; L86-W154 HydrophobicContact CG-CG 4Å; W154-P164 WeakPolarHBondContact O-CD 3.19Å; W154-L167 HydrophobicContact CD2-CD1 3.76Å; W154-L167 HydrophobicContact CE3-CD1 3.84Å; W154-L167 HydrophobicContact CG-CD1 4.5Å; W154-L167 HydrophobicContact CH2-CD1 3.81Å; W154-L167 HydrophobicContact CZ2-CB 3.86Å; W154-L167 HydrophobicContact CZ2-CD1 3.71Å; W154-L167 HydrophobicContact CZ2-CD2 4.46Å; W154-L167 HydrophobicContact CZ2-CG 4.21Å; W154-L167 HydrophobicContact CZ3-CD1 3.87Å; W154-L167 VanDerWaalsContact NE1-N 3.17Å
155	G	94.1	Very high	94	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.264	C	S	.	.			trans	-68.1	173.2	175	0	0	0	0	0	113.4	V157 P164 R206 D208	G155-V157 WeakPolarHBondContact O-CG1 3.41Å; G155-P164 WeakPolarHBondContact O-CD 3.37Å; G155-P164 WeakPolarHBondContact O-CG 3.33Å; G155-R206 CarbonylContact C-O 3.55Å; G155-R206 WeakPolarHBondContact CA-O 3.33Å; G155-D208 WeakPolarHBondContact CA-OD1 2.99Å; G155-D208 PolarHBondContact N-OD1 3.11Å
156	V	91	Very high	94	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.03	25%	0.247	C	C	.	.			trans	-62.4	143.6	-175.6	-60.5	0	0	0	0	111.9	R162 R163 C205 R206	V156-R162 CarbonylContact C-O 3.5Å; V156-R162 WeakPolarHBondContact CA-O 3.34Å; V156-R163 HydrophobicContact CG1-CG 3.98Å; V156-C205 HydrophobicContact CG2-CB 3.78Å; V156-C205 WeakPolarHBondContact CG2-SG 3.48Å; V156-R206 HydrophobicContact CG1-CB 4.43Å; V156-R206 HydrophobicContact CG2-CB 4.04Å; V156-R206 PolarHBondContact N-O 3.5Å
157	V	87.9	Confident	94	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.055	22%	0.224	C	C	.	.			trans	-119.4	0.7	-168.2	-65.9	0	0	0	0	114.9	G24 R25 G155 R162 P164 Q168	G24-V157 VanDerWaalsContact C-CB 3.42Å; G24-V157 VanDerWaalsContact C-CG2 3.45Å; G24-V157 VanDerWaalsContact CA-CG2 3.4Å; R25-V157 VanDerWaalsContact N-CB 3.29Å; R25-V157 CarbonylContact O-C 3.43Å; R25-V157 WeakPolarHBondContact O-CA 3.41Å; R25-V157 WeakPolarHBondContact O-CB 3.49Å; R25-V157 VanDerWaalsContact O-CG1 3.31Å; R25-V157 WeakPolarHBondContact O-CG1 3.27Å; R25-V157 VanDerWaalsContact O-O 3.06Å; G155-V157 WeakPolarHBondContact O-CG1 3.41Å; V157-R162 HydrophobicContact CG2-CB 4.08Å; V157-R162 HydrophobicContact CG2-CG 4.27Å; V157-R162 VanDerWaalsContact CG2-CZ 3.49Å; V157-R162 WeakPolarHBondContact CG2-O 3.48Å; V157-R162 PolarHBondContact N-O 2.95Å; V157-P164 HydrophobicContact CG1-CB 3.88Å; V157-P164 HydrophobicContact CG1-CG 3.58Å; V157-Q168 HydrophobicContact CG1-CG 4.04Å
158	S	85.4	Confident	94	Very high	33 Å²	33	39.1 Å²	39.1	23%	0.231	21%	0.211	C	C	.	.	S	Bend	trans	-144.7	155.1	175.9	72.7	0	0	0	0	109.2	A160 G161 R162	S158-A160 PolarHBondContact O-N 3.28Å; S158-A160 VanDerWaalsContact O-N 3.15Å; S158-A160 PolarHBondContact OG-N 2.89Å; S158-G161 PolarHBondContact O-N 3.29Å; S158-R162 VanDerWaalsContact OG-CB 3.28Å; S158-R162 WeakPolarHBondContact OG-CB 3.16Å; S158-R162 PolarHBondContact OG-N 3.48Å
159	H	82.9	Confident	93.9	Very high	151 Å²	151	35.9 Å²	35.9	70%	0.699	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-24	173.3	-63.2	94.9	0	0	0	112.6	G161	H159-G161 PolarHBondContact O-N 2.99Å
160	A	87	Confident	93.8	Very high	99 Å²	99	36.2 Å²	36.2	82%	0.818	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-1.1	173.5	0	0	0	0	0	113.8	S158	S158-A160 PolarHBondContact O-N 3.28Å; S158-A160 VanDerWaalsContact O-N 3.15Å; S158-A160 PolarHBondContact OG-N 2.89Å
161	G	87.1	Confident	93.7	Very high	27 Å²	27	36.5 Å²	36.5	28%	0.278	20%	0.197	S	C	.	.			trans	82.1	18.6	176.1	0	0	0	0	0	114.9	S158 H159 R163	S158-G161 PolarHBondContact O-N 3.29Å; H159-G161 PolarHBondContact O-N 2.99Å; G161-R163 PolarHBondContact O-N 2.89Å
162	R	91.4	Very high	93.7	Very high	100 Å²	100	36.5 Å²	36.5	38%	0.377	20%	0.197	S	C	.	.	P	Polyproline II helix	trans	-60.4	129.4	175.7	-170.6	175.8	76.4	72.5	127.1	109.4	R23 G24 V156 V157 S158	R23-R162 PolarHBondContact O-NE 3.44Å; R23-R162 PolarHBondContact O-NH1 3.49Å; G24-R162 VanDerWaalsContact CA-CZ 3.45Å; G24-R162 PolarHBondContact O-NH1 3.05Å; V156-R162 CarbonylContact C-O 3.5Å; V156-R162 WeakPolarHBondContact CA-O 3.34Å; V157-R162 HydrophobicContact CG2-CB 4.08Å; V157-R162 HydrophobicContact CG2-CG 4.27Å; V157-R162 VanDerWaalsContact CG2-CZ 3.49Å; V157-R162 WeakPolarHBondContact CG2-O 3.48Å; V157-R162 PolarHBondContact N-O 2.95Å; S158-R162 VanDerWaalsContact OG-CB 3.28Å; S158-R162 WeakPolarHBondContact OG-CB 3.16Å; S158-R162 PolarHBondContact OG-N 3.48Å
163	R	93.6	Very high	93.7	Very high	131 Å²	131	38 Å²	38	49%	0.494	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-94.8	139.2	170.7	-68.4	-178.3	178.2	-91.2	7.4	110.4	V156 G161	V156-R163 HydrophobicContact CG1-CG 3.98Å; G161-R163 PolarHBondContact O-N 2.89Å
164	P	95.4	Very high	93.8	Very high	8 Å²	8	38.3 Å²	38.3	5%	0.052	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-84.8	146.7	176.5	36.5	-31	0	0	0	109.7	W154 G155 V157 Q168	W154-P164 WeakPolarHBondContact O-CD 3.19Å; G155-P164 WeakPolarHBondContact O-CD 3.37Å; G155-P164 WeakPolarHBondContact O-CG 3.33Å; V157-P164 HydrophobicContact CG1-CB 3.88Å; V157-P164 HydrophobicContact CG1-CG 3.58Å; P164-Q168 HydrophobicContact CB-CG 3.91Å; P164-Q168 HydrophobicContact CG-CG 3.8Å
165	D	97.4	Very high	93.8	Very high	55 Å²	55	39.4 Å²	39.4	29%	0.294	21%	0.213	S	C	.	.	S	Bend	trans	-77.7	-34.1	170.8	174	64.7	0	0	0	111.8	S85 L86 S87	S85-D165 CarbonylContact C-O 3.59Å; S85-D165 WeakPolarHBondContact CA-O 3.28Å; S85-D165 WeakPolarHBondContact CB-OD2 3.31Å; S85-D165 VanDerWaalsContact OG-CG 3.25Å; S85-D165 PolarHBondContact OG-OD1 2.94Å; S85-D165 PolarHBondContact OG-OD2 3.5Å; L86-D165 PolarHBondContact N-O 3.4Å; S87-D165 WeakPolarHBondContact CB-OD1 3.45Å; S87-D165 PolarHBondContact N-OD1 2.9Å; S87-D165 VanDerWaalsContact OG-CG 3.25Å; S87-D165 PolarHBondContact OG-OD1 3.31Å; S87-D165 PolarHBondContact OG-OD2 3.08Å
166	V	98.4	Very high	94	Very high	26 Å²	26	42 Å²	42	16%	0.158	23%	0.227	C	C	.	.	B	Isolated β-bridge	trans	-104.5	150.4	-175.7	-64.6	0	0	0	0	111.9	E31 H84 Q168	E31-V166 HydrophobicContact CG-CG2 3.83Å; H84-V166 CarbonylContact O-C 3.53Å; H84-V166 WeakPolarHBondContact O-CA 3.39Å; V166-Q168 PolarHBondContact O-N 3.06Å; V166-Q168 PolarHBondContact O-NE2 2.84Å
167	L	98.5	Very high	94.3	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	23%	0.233	C	C	.	.			trans	-57.6	132.5	-178.7	-176.9	65.2	0	0	0	110.5	A32 W37 M40 H84 A152 W154	A32-L167 HydrophobicContact CB-CB 4.28Å; A32-L167 HydrophobicContact CB-CD2 4.06Å; A32-L167 HydrophobicContact CB-CG 3.98Å; A32-L167 PolarHBondContact N-O 3.36Å; W37-L167 HydrophobicContact CB-CD2 3.9Å; W37-L167 HydrophobicContact CG-CD2 4.15Å; M40-L167 HydrophobicContact CB-CD2 4.41Å; M40-L167 HydrophobicContact CG-CD1 3.94Å; M40-L167 HydrophobicContact CG-CD2 4.17Å; H84-L167 PolarHBondContact O-N 3.43Å; A152-L167 HydrophobicContact CB-CD1 4.17Å; A152-L167 HydrophobicContact CB-CD2 4.44Å; A152-L167 HydrophobicContact CB-CG 4.44Å; W154-L167 HydrophobicContact CD2-CD1 3.76Å; W154-L167 HydrophobicContact CE3-CD1 3.84Å; W154-L167 HydrophobicContact CG-CD1 4.5Å; W154-L167 HydrophobicContact CH2-CD1 3.81Å; W154-L167 HydrophobicContact CZ2-CB 3.86Å; W154-L167 HydrophobicContact CZ2-CD1 3.71Å; W154-L167 HydrophobicContact CZ2-CD2 4.46Å; W154-L167 HydrophobicContact CZ2-CG 4.21Å; W154-L167 HydrophobicContact CZ3-CD1 3.87Å; W154-L167 VanDerWaalsContact NE1-N 3.17Å
168	Q	97.9	Very high	94.8	Very high	5 Å²	5	49 Å²	49	2%	0.023	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	157.3	174.3	-55.5	-58.9	-59.9	0	0	109.6	R25 I26 Q30 E31 A152 G153 V157 P164 V166	R25-Q168 VanDerWaalsContact CA-OE1 3.22Å; I26-Q168 HydrophobicContact CB-CB 3.99Å; I26-Q168 HydrophobicContact CD1-CB 3.81Å; I26-Q168 HydrophobicContact CG1-CB 3.62Å; I26-Q168 HydrophobicContact CG1-CG 4.44Å; Q30-Q168 VanDerWaalsContact C-OE1 3.23Å; Q30-Q168 CarbonylContact O-C 3.55Å; Q30-Q168 WeakPolarHBondContact O-CA 3.38Å; Q30-Q168 PolarHBondContact O-OE1 3.35Å; E31-Q168 VanDerWaalsContact N-OE1 3.12Å; A152-Q168 WeakPolarHBondContact CA-O 3.13Å; A152-Q168 WeakPolarHBondContact CB-O 3.17Å; G153-Q168 PolarHBondContact N-O 3.04Å; G153-Q168 PolarHBondContact O-N 2.81Å; V157-Q168 HydrophobicContact CG1-CG 4.04Å; P164-Q168 HydrophobicContact CB-CG 3.91Å; P164-Q168 HydrophobicContact CG-CG 3.8Å; V166-Q168 PolarHBondContact O-N 3.06Å; V166-Q168 PolarHBondContact O-NE2 2.84Å
169	K	96.8	Very high	95.4	Very high	48 Å²	48	50.2 Å²	50.2	21%	0.209	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	158.5	170.4	74.8	168.2	-159.3	121.6	0	112.4	G29 Q30 A32 D150 V151 A152	G29-K169 WeakPolarHBondContact CA-O 3.2Å; Q30-K169 HydrophobicContact CG-CG 4.07Å; Q30-K169 PolarHBondContact N-O 2.66Å; Q30-K169 PolarHBondContact O-N 3.31Å; A32-K169 HydrophobicContact CB-CB 4.2Å; A32-K169 HydrophobicContact CB-CG 4.28Å; D150-K169 IonicContact OD1-NZ 2.8Å; V151-K169 CarbonylContact O-C 3.6Å; V151-K169 VanDerWaalsContact O-CA 3.23Å; V151-K169 WeakPolarHBondContact O-CA 2.86Å; A152-K169 HydrophobicContact CB-CB 4.33Å
170	L	95.3	Very high	96.1	Very high	8 Å²	8	43 Å²	43	4%	0.042	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	139.1	174.3	175.4	66.3	0	0	0	110	I26 D150 V151 V172 R202	I26-L170 HydrophobicContact CG2-CB 3.89Å; I26-L170 HydrophobicContact CG2-CD2 4.08Å; D150-L170 CarbonylContact C-O 3.56Å; D150-L170 WeakPolarHBondContact CA-O 3.46Å; V151-L170 PolarHBondContact N-O 2.88Å; V151-L170 PolarHBondContact O-N 3.01Å; L170-V172 HydrophobicContact CD2-CG1 3.4Å; L170-V172 VanDerWaalsContact CD2-CG1 3.4Å; L170-V172 HydrophobicContact CG-CG1 3.66Å; L170-R202 HydrophobicContact CD1-CB 3.89Å; L170-R202 HydrophobicContact CD1-CG 4.08Å; L170-R202 HydrophobicContact CD2-CB 4.11Å
171	T	97.3	Very high	96.7	Very high	54 Å²	54	40 Å²	40	33%	0.331	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	125.6	168	-47.9	0	0	0	0	108.8	L148 C149 D150	L148-T171 HydrophobicContact CB-CG2 3.85Å; L148-T171 HydrophobicContact CD1-CG2 4.48Å; L148-T171 HydrophobicContact CD2-CG2 4.35Å; L148-T171 HydrophobicContact CG-CG2 4.45Å; C149-T171 CarbonylContact O-C 3.57Å; C149-T171 VanDerWaalsContact O-CA 3.31Å; C149-T171 WeakPolarHBondContact O-CA 3.32Å; D150-T171 WeakPolarHBondContact OD1-CB 3.26Å; D150-T171 PolarHBondContact OD1-OG1 3.33Å
172	V	96.9	Very high	97.2	Very high	3 Å²	3	43 Å²	43	2%	0.018	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.8	-177.2	-67.5	0	0	0	0	110.9	C149 V151 L170 T197 L213	C149-V172 PolarHBondContact N-O 3.14Å; C149-V172 PolarHBondContact O-N 3.31Å; V151-V172 HydrophobicContact CG2-CG2 4.07Å; L170-V172 HydrophobicContact CD2-CG1 3.4Å; L170-V172 VanDerWaalsContact CD2-CG1 3.4Å; L170-V172 HydrophobicContact CG-CG1 3.66Å; V172-T197 HydrophobicContact CB-CG2 4.32Å; V172-T197 HydrophobicContact CG2-CG2 3.6Å; V172-L213 HydrophobicContact CG2-CD1 4Å
173	P	98.2	Very high	97.5	Very high	30 Å²	30	48.4 Å²	48.4	20%	0.195	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	139.7	171.5	31.5	-32.3	0	0	0	110.9	T147 L148 T197 E198	T147-P173 CarbonylContact O-C 3.55Å; T147-P173 WeakPolarHBondContact O-CA 3.34Å; L148-P173 HydrophobicContact CD2-CB 4.07Å; P173-T197 VanDerWaalsContact O-CA 3.31Å; P173-T197 WeakPolarHBondContact O-CA 2.94Å; P173-T197 WeakPolarHBondContact O-CB 3Å; P173-E198 HydrophobicContact CG-CB 3.78Å; P173-E198 HydrophobicContact CG-CG 3.73Å; P173-E198 PolarHBondContact O-N 2.96Å
174	I	98.6	Very high	97.7	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.036	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	136.2	170	-62.4	-55.4	0	0	0	110	V143 G146 T147 C149 I195 T197 L213	V143-I174 HydrophobicContact CB-CG1 4.07Å; V143-I174 HydrophobicContact CB-CG2 4.47Å; V143-I174 HydrophobicContact CG1-CG1 3.73Å; G146-I174 PolarHBondContact N-O 3.22Å; T147-I174 WeakPolarHBondContact O-CG1 3.47Å; T147-I174 PolarHBondContact O-N 3.15Å; C149-I174 HydrophobicContact CB-CD1 4.41Å; I174-I195 HydrophobicContact CD1-CG2 3.74Å; I174-I195 HydrophobicContact CG2-CG2 4.46Å; I174-T197 HydrophobicContact CD1-CG2 4.06Å; I174-L213 HydrophobicContact CD1-CD2 4.07Å
175	M	98.3	Very high	97.7	Very high	24 Å²	24	46.6 Å²	46.6	12%	0.118	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.5	172.5	179.6	178.5	-68.5	0	0	109.6	T179 C180 C196 E198 P236	M175-T179 HydrophobicContact CG-CG2 4.31Å; M175-T179 HydrophobicContact SD-CG2 4.25Å; M175-C180 HydrophobicContact CG-CB 4.38Å; M175-C180 HydrophobicContact SD-CB 4.06Å; M175-C196 HydrophobicContact CB-CB 3.97Å; M175-C196 HydrophobicContact CG-CB 4.49Å; M175-C196 PolarHBondContact N-O 3.15Å; M175-E198 HydrophobicContact CE-CB 4.49Å; M175-E198 HydrophobicContact CE-CG 3.83Å; M175-P236 HydrophobicContact CE-CB 4.27Å; M175-P236 HydrophobicContact CE-CG 3.93Å; M175-P236 HydrophobicContact SD-CB 3.86Å; M175-P236 HydrophobicContact SD-CG 3.48Å; M175-P236 WeakPolarHBondContact SD-CG 3.24Å
176	D	98.1	Very high	97.7	Very high	54 Å²	54	44.4 Å²	44.4	29%	0.289	22%	0.223	S	C	.	.			trans	-56	137.1	172.4	170.5	66.5	0	0	0	111.9	P145 N178 T179 C180	P145-D176 HydrophobicContact CB-CB 4.16Å; P145-D176 HydrophobicContact CG-CB 3.67Å; D176-N178 PolarHBondContact O-N 2.81Å; D176-N178 WeakPolarHBondContact OD2-CA 3.48Å; D176-N178 VanDerWaalsContact OD2-CB 3.28Å; D176-N178 WeakPolarHBondContact OD2-CB 3.27Å; D176-N178 PolarHBondContact OD2-N 2.82Å; D176-T179 WeakPolarHBondContact O-CB 2.7Å; D176-T179 PolarHBondContact O-N 2.8Å; D176-T179 PolarHBondContact OD2-N 2.79Å; D176-T179 PolarHBondContact OD2-OG1 2.89Å; D176-C180 WeakPolarHBondContact O-CB 3.44Å; D176-C180 PolarHBondContact O-N 2.89Å
177	R	98.1	Very high	97.6	Very high	41 Å²	41	48 Å²	48	16%	0.155	24%	0.241	C	C	.	.	H	α-helix	trans	-63.8	-39.6	-176.4	-174.4	-176.3	-63.5	99.6	12.1	112.2	D142 T179 C180 N181 V190 T191 M194	D142-R177 IonicContact OD1-CZ 3.62Å; D142-R177 IonicContact OD1-NH1 3.5Å; D142-R177 IonicContact OD1-NH2 2.82Å; D142-R177 PolarHBondContact OD1-NH2 2.94Å; D142-R177 IonicContact OD2-CZ 3.58Å; D142-R177 IonicContact OD2-NH1 3.54Å; D142-R177 PolarHBondContact OD2-NH1 2.99Å; D142-R177 IonicContact OD2-NH2 2.73Å; D142-R177 PolarHBondContact OD2-NH2 3.25Å; R177-T179 VanDerWaalsContact C-N 3.31Å; R177-T179 PolarHBondContact O-N 2.79Å; R177-C180 WeakPolarHBondContact O-CB 3.47Å; R177-C180 PolarHBondContact O-N 2.8Å; R177-N181 WeakPolarHBondContact O-CB 3.46Å; R177-N181 PolarHBondContact O-N 3.15Å; R177-V190 HydrophobicContact CG-CG1 4.13Å; R177-T191 WeakPolarHBondContact CD-O 3.32Å; R177-T191 PolarHBondContact NE-O 2.73Å; R177-M194 PolarHBondContact NE-O 3.46Å; R177-M194 PolarHBondContact NH2-O 3.31Å
178	N	98.1	Very high	97.5	Very high	122 Å²	122	50.3 Å²	50.3	65%	0.652	27%	0.266	S	S	*	.	H	α-helix	trans	-65.3	-40.6	179.6	-61.3	-38.2	0	0	0	110.5	D176 N181 L182	D176-N178 PolarHBondContact O-N 2.81Å; D176-N178 WeakPolarHBondContact OD2-CA 3.48Å; D176-N178 VanDerWaalsContact OD2-CB 3.28Å; D176-N178 WeakPolarHBondContact OD2-CB 3.27Å; D176-N178 PolarHBondContact OD2-N 2.82Å; N178-N181 PolarHBondContact O-N 3.02Å; N178-L182 PolarHBondContact O-N 2.9Å
179	T	98.3	Very high	97.4	Very high	57 Å²	57	53.3 Å²	53.3	35%	0.35	28%	0.284	S	S	.	.	H	α-helix	trans	-60.9	-47.9	171.6	-56.8	0	0	0	0	111	M175 D176 R177 N181 L182 H185	M175-T179 HydrophobicContact CG-CG2 4.31Å; M175-T179 HydrophobicContact SD-CG2 4.25Å; D176-T179 WeakPolarHBondContact O-CB 2.7Å; D176-T179 PolarHBondContact O-N 2.8Å; D176-T179 PolarHBondContact OD2-N 2.79Å; D176-T179 PolarHBondContact OD2-OG1 2.89Å; R177-T179 VanDerWaalsContact C-N 3.31Å; R177-T179 PolarHBondContact O-N 2.79Å; T179-N181 PolarHBondContact O-N 3.01Å; T179-L182 HydrophobicContact CG2-CD1 4.22Å; T179-L182 WeakPolarHBondContact O-CB 3.28Å; T179-L182 VanDerWaalsContact O-CG 3.28Å; T179-L182 WeakPolarHBondContact O-CG 3.38Å; T179-L182 PolarHBondContact O-N 3.02Å; T179-L182 VanDerWaalsContact O-N 3.08Å; T179-H185 PolarHBondContact O-CD2 2.81Å
180	C	97.8	Very high	97.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.6	-29.1	178.9	-160	0	0	0	0	113.1	M175 D176 R177 H185 H186 C196	M175-C180 HydrophobicContact CG-CB 4.38Å; M175-C180 HydrophobicContact SD-CB 4.06Å; D176-C180 WeakPolarHBondContact O-CB 3.44Å; D176-C180 PolarHBondContact O-N 2.89Å; R177-C180 WeakPolarHBondContact O-CB 3.47Å; R177-C180 PolarHBondContact O-N 2.8Å; C180-H185 WeakPolarHBondContact O-CB 3.39Å; C180-H186 WeakPolarHBondContact O-CB 3.44Å; C180-H186 PolarHBondContact O-N 3.32Å; C180-H186 VanDerWaalsContact SG-CD2 3.53Å; C180-C196 HydrophobicContact CB-CB 3.6Å; C180-C196 WeakPolarHBondContact CB-SG 3.49Å; C180-C196 WeakPolarHBondContact SG-CB 3.17Å; C180-C196 CovalentContact SG-SG 2.03Å; C180-C196 PolarHBondContact SG-SG 3.47Å
181	N	98.4	Very high	97.5	Very high	35 Å²	35	52.7 Å²	52.7	19%	0.187	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-0.3	178.4	-83.8	-31.1	0	0	0	115.4	R177 N178 T179 D187 G188 V189 V190	R177-N181 WeakPolarHBondContact O-CB 3.46Å; R177-N181 PolarHBondContact O-N 3.15Å; N178-N181 PolarHBondContact O-N 3.02Å; T179-N181 PolarHBondContact O-N 3.01Å; N181-D187 WeakPolarHBondContact O-CA 3.31Å; N181-G188 PolarHBondContact O-N 2.92Å; N181-G188 VanDerWaalsContact O-N 3.09Å; N181-G188 VanDerWaalsContact OD1-C 3.25Å; N181-G188 WeakPolarHBondContact OD1-CA 3.45Å; N181-G188 PolarHBondContact OD1-N 3.37Å; N181-V189 PolarHBondContact OD1-N 2.82Å; N181-V190 PolarHBondContact ND2-O 2.77Å; N181-V190 WeakPolarHBondContact OD1-CA 3.16Å; N181-V190 VanDerWaalsContact OD1-CB 3.26Å; N181-V190 WeakPolarHBondContact OD1-CB 3.39Å; N181-V190 PolarHBondContact OD1-N 2.8Å
182	L	98.6	Very high	97.5	Very high	92 Å²	92	57.1 Å²	57.1	48%	0.482	30%	0.302	S	S	.	.	S	Bend	trans	-56	149.3	171.3	-64.6	171.2	0	0	0	110.1	N178 T179 V184 H185 H186 D187	N178-L182 PolarHBondContact O-N 2.9Å; T179-L182 HydrophobicContact CG2-CD1 4.22Å; T179-L182 WeakPolarHBondContact O-CB 3.28Å; T179-L182 VanDerWaalsContact O-CG 3.28Å; T179-L182 WeakPolarHBondContact O-CG 3.38Å; T179-L182 PolarHBondContact O-N 3.02Å; T179-L182 VanDerWaalsContact O-N 3.08Å; L182-V184 HydrophobicContact CB-CG1 4.11Å; L182-V184 PolarHBondContact O-N 2.77Å; L182-H185 CarbonylContact O-C 3.59Å; L182-H185 WeakPolarHBondContact O-CA 3.44Å; L182-H185 WeakPolarHBondContact O-CB 3.35Å; L182-H185 PolarHBondContact O-N 3.2Å; L182-H186 PolarHBondContact O-N 2.02Å; L182-D187 PolarHBondContact O-N 2.68Å
183	R	97.6	Very high	97.5	Very high	213 Å²	213	59.3 Å²	59.3	80%	0.804	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-28.9	179	-173.5	173.9	-178.6	-168.4	1.1	114.2	H185 D187	R183-H185 PolarHBondContact O-N 2.81Å; R183-D187 WeakPolarHBondContact CA-OD1 3.1Å; R183-D187 WeakPolarHBondContact CB-OD1 3.06Å; R183-D187 WeakPolarHBondContact CG-OD1 3.5Å
184	V	96.9	Very high	97.5	Very high	76 Å²	76	58 Å²	58	46%	0.461	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-16.6	176.4	72.2	0	0	0	0	113.1	L182 K234	L182-V184 HydrophobicContact CB-CG1 4.11Å; L182-V184 PolarHBondContact O-N 2.77Å; V184-K234 HydrophobicContact CG2-CD 3.93Å; V184-K234 HydrophobicContact CG2-CG 4.29Å
185	H	97.1	Very high	97.5	Very high	25 Å²	25	58 Å²	58	12%	0.116	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-107.6	-177.3	-67.1	-59.6	0	0	0	111.7	T179 C180 L182 R183 R233 K234 K235 P236	T179-H185 PolarHBondContact O-CD2 2.81Å; C180-H185 WeakPolarHBondContact O-CB 3.39Å; L182-H185 CarbonylContact O-C 3.59Å; L182-H185 WeakPolarHBondContact O-CA 3.44Å; L182-H185 WeakPolarHBondContact O-CB 3.35Å; L182-H185 PolarHBondContact O-N 3.2Å; R183-H185 PolarHBondContact O-N 2.81Å; H185-R233 PolarHBondContact CE1-O 2.02Å; H185-K234 VanDerWaalsContact CA-O 3.31Å; H185-K234 WeakPolarHBondContact CA-O 3.48Å; H185-K234 PolarHBondContact ND1-O 3.3Å; H185-K235 PolarHBondContact O-NZ 2.88Å; H185-P236 HydrophobicContact CB-CG 4.29Å
186	H	96.4	Very high	97.5	Very high	8 Å²	8	57 Å²	57	4%	0.037	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	3.6	-177	-65.9	-45.2	0	0	0	114.1	C180 L182 G188 V189 V190 P236 V238	C180-H186 WeakPolarHBondContact O-CB 3.44Å; C180-H186 PolarHBondContact O-N 3.32Å; C180-H186 VanDerWaalsContact SG-CD2 3.53Å; L182-H186 PolarHBondContact O-N 2.02Å; H186-G188 PolarHBondContact O-N 3.22Å; H186-V189 WeakPolarHBondContact O-CB 3.16Å; H186-V189 VanDerWaalsContact O-CG2 3.25Å; H186-V189 WeakPolarHBondContact O-CG2 3.4Å; H186-V189 PolarHBondContact O-N 2.88Å; H186-V190 HydrophobicContact CB-CG2 3.84Å; H186-P236 PolarHBondContact NE2-O 3.18Å; H186-V238 VanDerWaalsContact NE2-CG2 3.34Å; H186-V238 WeakPolarHBondContact NE2-CG2 3.41Å
187	D	97.1	Very high	97.4	Very high	102 Å²	102	54.4 Å²	54.4	55%	0.545	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	50.1	167.3	-157.6	28.1	0	0	0	114	N181 L182 R183 V189	N181-D187 WeakPolarHBondContact O-CA 3.31Å; L182-D187 PolarHBondContact O-N 2.68Å; R183-D187 WeakPolarHBondContact CA-OD1 3.1Å; R183-D187 WeakPolarHBondContact CB-OD1 3.06Å; R183-D187 WeakPolarHBondContact CG-OD1 3.5Å; D187-V189 PolarHBondContact O-N 2.77Å
188	G	96.8	Very high	97.4	Very high	52 Å²	52	56.8 Å²	56.8	54%	0.536	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.9	-1.6	176	0	0	0	0	0	116.6	N181 H186 V190	N181-G188 PolarHBondContact O-N 2.92Å; N181-G188 VanDerWaalsContact O-N 3.09Å; N181-G188 VanDerWaalsContact OD1-C 3.25Å; N181-G188 WeakPolarHBondContact OD1-CA 3.45Å; N181-G188 PolarHBondContact OD1-N 3.37Å; H186-G188 PolarHBondContact O-N 3.22Å; G188-V190 PolarHBondContact O-N 2.61Å
189	V	95.4	Very high	97.2	Very high	68 Å²	68	51 Å²	51	41%	0.412	27%	0.269	S	S	.	.			trans	-73.8	-22.6	-176.1	177.3	0	0	0	0	113.5	I112 N181 H186 D187 T191 W225	I112-V189 HydrophobicContact CD1-CG1 3.68Å; I112-V189 HydrophobicContact CG1-CG1 4.23Å; N181-V189 PolarHBondContact OD1-N 2.82Å; H186-V189 WeakPolarHBondContact O-CB 3.16Å; H186-V189 VanDerWaalsContact O-CG2 3.25Å; H186-V189 WeakPolarHBondContact O-CG2 3.4Å; H186-V189 PolarHBondContact O-N 2.88Å; D187-V189 PolarHBondContact O-N 2.77Å; V189-T191 PolarHBondContact O-N 3.49Å; V189-W225 HydrophobicContact CG1-CH2 4.14Å; V189-W225 HydrophobicContact CG1-CZ3 4.34Å
190	V	97.1	Very high	97	Very high	4 Å²	4	52 Å²	52	2%	0.024	27%	0.272	C	S	.	.			trans	-81.2	112.1	-176.8	-176.7	0	0	0	0	110.3	R177 N181 H186 G188 M194 V238	R177-V190 HydrophobicContact CG-CG1 4.13Å; N181-V190 PolarHBondContact ND2-O 2.77Å; N181-V190 WeakPolarHBondContact OD1-CA 3.16Å; N181-V190 VanDerWaalsContact OD1-CB 3.26Å; N181-V190 WeakPolarHBondContact OD1-CB 3.39Å; N181-V190 PolarHBondContact OD1-N 2.8Å; H186-V190 HydrophobicContact CB-CG2 3.84Å; G188-V190 PolarHBondContact O-N 2.61Å; V190-M194 HydrophobicContact CG1-CB 3.62Å; V190-M194 HydrophobicContact CG1-SD 4.24Å; V190-V238 HydrophobicContact CG2-CG2 4.39Å
191	T	97.1	Very high	96.5	Very high	39 Å²	39	61.3 Å²	61.3	24%	0.239	31%	0.307	C	S	.	.			trans	-83.9	177.8	-175.2	74.3	0	0	0	0	112.7	E113 R177 V189 N193 M194	E113-T191 HydrophobicContact CG-CG2 3.94Å; R177-T191 WeakPolarHBondContact CD-O 3.32Å; R177-T191 PolarHBondContact NE-O 2.73Å; V189-T191 PolarHBondContact O-N 3.49Å; T191-N193 PolarHBondContact O-N 3.08Å; T191-N193 PolarHBondContact OG1-N 2.82Å; T191-N193 VanDerWaalsContact OG1-N 3.16Å; T191-M194 HydrophobicContact CG2-CE 4.23Å; T191-M194 PolarHBondContact O-N 2.86Å
192	Q	96.8	Very high	96.1	Very high	147 Å²	147	66.9 Å²	66.9	69%	0.687	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-15.7	170.6	-72.5	-178.6	-6.8	0	0	113	M194 R241	Q192-M194 PolarHBondContact O-N 3.09Å; Q192-R241 PolarHBondContact O-NH1 3.16Å; Q192-R241 PolarHBondContact O-NH2 2.5Å; Q192-R241 VanDerWaalsContact O-NH2 3.09Å
193	N	97.3	Very high	95.8	Very high	50 Å²	50	62.5 Å²	62.5	27%	0.267	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	13.5	178.3	-61.6	-13.8	0	0	0	112.2	T191 R241 Y245	T191-N193 PolarHBondContact O-N 3.08Å; T191-N193 PolarHBondContact OG1-N 2.82Å; T191-N193 VanDerWaalsContact OG1-N 3.16Å; N193-R241 WeakPolarHBondContact O-CB 3.34Å; N193-R241 PolarHBondContact O-N 2.92Å; N193-Y245 HydrophobicContact CB-CE2 3.93Å; N193-Y245 WeakPolarHBondContact CB-OH 3.28Å; N193-Y245 PolarHBondContact ND2-OH 3.19Å
194	M	97.9	Very high	95.5	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	153.4	-174.8	-63	172.4	-168.6	0	0	112.3	I112 E113 R177 V190 T191 Q192 V238 F239	I112-M194 HydrophobicContact CB-CE 4.4Å; I112-M194 HydrophobicContact CD1-CE 3.72Å; I112-M194 HydrophobicContact CD1-SD 3.68Å; I112-M194 HydrophobicContact CG1-CE 3.64Å; I112-M194 HydrophobicContact CG1-SD 4.29Å; E113-M194 HydrophobicContact CB-CE 4.09Å; E113-M194 HydrophobicContact CG-CE 3.5Å; R177-M194 PolarHBondContact NE-O 3.46Å; R177-M194 PolarHBondContact NH2-O 3.31Å; V190-M194 HydrophobicContact CG1-CB 3.62Å; V190-M194 HydrophobicContact CG1-SD 4.24Å; T191-M194 HydrophobicContact CG2-CE 4.23Å; T191-M194 PolarHBondContact O-N 2.86Å; Q192-M194 PolarHBondContact O-N 3.09Å; M194-V238 HydrophobicContact CB-CG1 4.32Å; M194-V238 HydrophobicContact CG-CG1 4.37Å; M194-V238 HydrophobicContact SD-CG1 4Å; M194-F239 CarbonylContact C-O 3.54Å; M194-F239 VanDerWaalsContact CA-O 3.22Å; M194-F239 WeakPolarHBondContact CA-O 3.48Å
195	I	97.7	Very high	95.2	Very high	7 Å²	7	49.7 Å²	49.7	4%	0.036	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143	173.6	-66.3	162.9	0	0	0	108.7	I174 L213 E220 V238 F239 R241	I174-I195 HydrophobicContact CD1-CG2 3.74Å; I174-I195 HydrophobicContact CG2-CG2 4.46Å; I195-L213 HydrophobicContact CG2-CD2 4.03Å; I195-E220 HydrophobicContact CD1-CB 4.27Å; I195-V238 WeakPolarHBondContact O-CA 3.3Å; I195-F239 HydrophobicContact CB-CB 4.46Å; I195-F239 PolarHBondContact N-O 3.42Å; I195-F239 PolarHBondContact O-N 2.97Å; I195-R241 HydrophobicContact CD1-CB 3.9Å; I195-R241 HydrophobicContact CD1-CG 3.56Å; I195-R241 HydrophobicContact CG1-CB 3.95Å; I195-R241 HydrophobicContact CG1-CG 3.96Å
196	C	97.9	Very high	94.9	Very high	2 Å²	2	54 Å²	54	1%	0.014	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	151.6	171.3	-69.5	0	0	0	0	112.7	M175 C180 P236 G237	M175-C196 HydrophobicContact CB-CB 3.97Å; M175-C196 HydrophobicContact CG-CB 4.49Å; M175-C196 PolarHBondContact N-O 3.15Å; C180-C196 HydrophobicContact CB-CB 3.6Å; C180-C196 WeakPolarHBondContact CB-SG 3.49Å; C180-C196 WeakPolarHBondContact SG-CB 3.17Å; C180-C196 CovalentContact SG-SG 2.03Å; C180-C196 PolarHBondContact SG-SG 3.47Å; C196-P236 HydrophobicContact CB-CB 4.38Å; C196-G237 VanDerWaalsContact CA-O 3.22Å; C196-G237 WeakPolarHBondContact CA-O 3.39Å
197	T	98	Very high	94.8	Very high	1 Å²	1	54 Å²	54	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	156.3	168.2	69.9	0	0	0	0	110.1	V172 P173 I174 L213 P236 G237 F239	V172-T197 HydrophobicContact CB-CG2 4.32Å; V172-T197 HydrophobicContact CG2-CG2 3.6Å; P173-T197 VanDerWaalsContact O-CA 3.31Å; P173-T197 WeakPolarHBondContact O-CA 2.94Å; P173-T197 WeakPolarHBondContact O-CB 3Å; I174-T197 HydrophobicContact CD1-CG2 4.06Å; T197-L213 HydrophobicContact CG2-CD1 4.17Å; T197-L213 HydrophobicContact CG2-CD2 4.28Å; T197-P236 WeakPolarHBondContact O-CB 3.01Å; T197-G237 PolarHBondContact N-O 3.17Å; T197-G237 PolarHBondContact O-N 2.92Å; T197-F239 HydrophobicContact CG2-CD2 3.96Å; T197-F239 HydrophobicContact CG2-CE2 3.4Å; T197-F239 HydrophobicContact CG2-CZ 4.08Å; T197-F239 WeakPolarHBondContact OG1-CE2 3.29Å
198	E	97.1	Very high	94.8	Very high	90 Å²	90	49.1 Å²	49.1	42%	0.421	24%	0.24	S	C	.	.			trans	-60.6	149.4	167.1	-66.1	-174.7	-162.1	0	0	111.4	P173 M175	P173-E198 HydrophobicContact CG-CB 3.78Å; P173-E198 HydrophobicContact CG-CG 3.73Å; P173-E198 PolarHBondContact O-N 2.96Å; M175-E198 HydrophobicContact CE-CB 4.49Å; M175-E198 HydrophobicContact CE-CG 3.83Å
199	S	94.8	Very high	94.8	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.007	22%	0.216	C	C	.	.			trans	-131.2	16.5	-175.1	57.8	0	0	0	0	113.2	R201 R202 D203 G231 N232 K235 P236	S199-R201 PolarHBondContact O-N 3.41Å; S199-R202 CarbonylContact C-O 3.59Å; S199-R202 VanDerWaalsContact C-O 3.31Å; S199-R202 VanDerWaalsContact CA-O 3.26Å; S199-R202 WeakPolarHBondContact CA-O 3.37Å; S199-D203 VanDerWaalsContact CB-CG 3.48Å; S199-D203 VanDerWaalsContact CB-OD2 3.32Å; S199-D203 WeakPolarHBondContact CB-OD2 2.99Å; S199-G231 CarbonylContact O-C 3.55Å; S199-G231 WeakPolarHBondContact O-CA 3.24Å; S199-N232 PolarHBondContact O-N 3.37Å; S199-N232 PolarHBondContact OG-O 3.07Å; S199-K235 WeakPolarHBondContact CB-O 3.27Å; S199-K235 VanDerWaalsContact OG-C 3.32Å; S199-K235 PolarHBondContact OG-O 3.25Å; S199-P236 VanDerWaalsContact OG-CA 3.31Å; S199-P236 WeakPolarHBondContact OG-CA 3.41Å
200	N	92.8	Very high	94.9	Very high	77 Å²	77	43.6 Å²	43.6	41%	0.412	20%	0.196	S	C	.	.	S	Bend	trans	-73.7	98.8	-173.6	-176.2	26.7	0	0	0	111.6	R202 R233	N200-R202 PolarHBondContact O-N 2.95Å; N200-R233 HydrophobicContact CB-CB 3.84Å; N200-R233 HydrophobicContact CB-CG 3.97Å
201	R	87.6	Confident	95	Very high	197 Å²	197	43.4 Å²	43.4	74%	0.743	20%	0.195	S	C	*	.	S	Bend	trans	60.4	-9.7	-176	-51.9	177.5	179.3	-172.5	-1.5	115.4	L27 S199 G231	L27-R201 CarbonylContact C-O 3.59Å; S199-R201 PolarHBondContact O-N 3.41Å; R201-G231 PolarHBondContact N-O 2.98Å
202	R	89.3	Confident	95.1	Very high	151 Å²	151	41.6 Å²	41.6	57%	0.57	18%	0.183	S	C	*	.			trans	-124.2	112.3	-179.6	-74.2	-173.2	-176.6	-178.5	4.5	107.8	L27 L170 S199 N200	L27-R202 CarbonylContact O-C 3.59Å; L27-R202 WeakPolarHBondContact O-CA 3.48Å; L170-R202 HydrophobicContact CD1-CB 3.89Å; L170-R202 HydrophobicContact CD1-CG 4.08Å; L170-R202 HydrophobicContact CD2-CB 4.11Å; S199-R202 CarbonylContact C-O 3.59Å; S199-R202 VanDerWaalsContact C-O 3.31Å; S199-R202 VanDerWaalsContact CA-O 3.26Å; S199-R202 WeakPolarHBondContact CA-O 3.37Å; N200-R202 PolarHBondContact O-N 2.95Å
203	D	92.5	Very high	95.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.151	C	C	.	.			trans	-162.7	151.7	-168.3	-155.2	2	0	0	0	113.6	I26 L27 S199 R228 C230 G231	I26-D203 WeakPolarHBondContact CG2-O 3.21Å; L27-D203 PolarHBondContact N-O 2.87Å; L27-D203 PolarHBondContact O-N 3.38Å; S199-D203 VanDerWaalsContact CB-CG 3.48Å; S199-D203 VanDerWaalsContact CB-OD2 3.32Å; S199-D203 WeakPolarHBondContact CB-OD2 2.99Å; D203-R228 IonicContact OD1-CZ 3.58Å; D203-R228 IonicContact OD1-NH1 2.77Å; D203-R228 IonicContact OD1-NH2 3.75Å; D203-R228 PolarHBondContact OD1-NH2 3.04Å; D203-R228 IonicContact OD2-CZ 3.96Å; D203-R228 IonicContact OD2-NH1 2.77Å; D203-R228 PolarHBondContact OD2-NH1 3.19Å; D203-R228 IonicContact OD2-NH2 3.03Å; D203-R228 PolarHBondContact OD2-NH2 3.09Å; D203-C230 VanDerWaalsContact OD2-CA 3.28Å; D203-C230 WeakPolarHBondContact OD2-CA 3.27Å; D203-G231 PolarHBondContact OD2-N 2.9Å
204	S	90.9	Very high	95.2	Very high	7 Å²	7	32.9 Å²	32.9	5%	0.049	14%	0.142	C	C	.	.			trans	-71.1	152.3	161.7	61.2	0	0	0	0	109.8	R228	S204-R228 PolarHBondContact O-NH2 3.21Å; S204-R228 VanDerWaalsContact O-NH2 3.15Å
205	C	91.9	Very high	95.2	Very high	13 Å²	13	33.3 Å²	33.3	9%	0.088	15%	0.145	C	C	.	.			trans	-146.6	-172.4	-174.8	-157.3	0	0	0	0	113.3	V156 G207 D208 C230	V156-C205 HydrophobicContact CG2-CB 3.78Å; V156-C205 WeakPolarHBondContact CG2-SG 3.48Å; C205-G207 PolarHBondContact O-N 3.43Å; C205-D208 PolarHBondContact N-OD2 2.03Å; C205-D208 WeakPolarHBondContact O-CB 3.5Å; C205-D208 PolarHBondContact O-N 3.48Å; C205-C230 WeakPolarHBondContact CA-SG 3.44Å; C205-C230 HydrophobicContact CB-CB 3.65Å; C205-C230 WeakPolarHBondContact CB-SG 3.42Å; C205-C230 WeakPolarHBondContact SG-CB 3.41Å; C205-C230 CovalentContact SG-SG 2.02Å; C205-C230 PolarHBondContact SG-SG 3.31Å
206	R	91.5	Very high	95.2	Very high	117 Å²	117	36.8 Å²	36.8	44%	0.442	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	123.3	179	-72.9	-171	-61	-87.6	3.6	111.3	G155 V156 G226	G155-R206 CarbonylContact C-O 3.55Å; G155-R206 WeakPolarHBondContact CA-O 3.33Å; V156-R206 HydrophobicContact CG1-CB 4.43Å; V156-R206 HydrophobicContact CG2-CB 4.04Å; V156-R206 PolarHBondContact N-O 3.5Å; R206-G226 VanDerWaalsContact CG-O 3.24Å; R206-G226 WeakPolarHBondContact CG-O 3.47Å
207	G	93.3	Very high	95	Very high	7 Å²	7	42.3 Å²	42.3	7%	0.072	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	-14.3	-176	0	0	0	0	0	114.6	H49 C205 S209	H49-G207 PolarHBondContact NE2-O 2.81Å; H49-G207 VanDerWaalsContact NE2-O 3.09Å; C205-G207 PolarHBondContact O-N 3.43Å; G207-S209 VanDerWaalsContact C-N 3.33Å
208	D	97	Very high	95	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.224	C	C	.	.			trans	-83.2	-13.7	170.2	-59	-44.4	0	0	0	112.3	I26 G153 G155 C205 G211 V223	I26-D208 WeakPolarHBondContact CD1-OD1 3.34Å; G153-D208 WeakPolarHBondContact CA-OD1 3.18Å; G155-D208 WeakPolarHBondContact CA-OD1 2.99Å; G155-D208 PolarHBondContact N-OD1 3.11Å; C205-D208 PolarHBondContact N-OD2 2.03Å; C205-D208 WeakPolarHBondContact O-CB 3.5Å; C205-D208 PolarHBondContact O-N 3.48Å; D208-G211 WeakPolarHBondContact O-CA 3.47Å; D208-G211 PolarHBondContact O-N 2.87Å; D208-V223 HydrophobicContact CB-CG1 4.43Å; D208-V223 WeakPolarHBondContact O-CB 3.19Å; D208-V223 WeakPolarHBondContact O-CG2 3.43Å
209	S	97.2	Very high	95.1	Very high	4 Å²	4	40.8 Å²	40.8	3%	0.028	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.2	138.3	172.4	-69.4	0	0	0	0	112.1	C51 G52 H66 G207 G211 G226	C51-S209 CarbonylContact C-O 3.53Å; C51-S209 WeakPolarHBondContact CA-O 3.02Å; C51-S209 WeakPolarHBondContact CB-O 3.22Å; G52-S209 PolarHBondContact N-O 2.87Å; H66-S209 VanDerWaalsContact CE1-CB 3.49Å; H66-S209 WeakPolarHBondContact CE1-CB 3.45Å; H66-S209 PolarHBondContact CE1-OG 3.28Å; H66-S209 VanDerWaalsContact CE1-OG 3.3Å; H66-S209 WeakPolarHBondContact NE2-CB 3.48Å; H66-S209 PolarHBondContact NE2-OG 2.91Å; G207-S209 VanDerWaalsContact C-N 3.33Å; S209-G211 PolarHBondContact O-N 2.92Å; S209-G226 WeakPolarHBondContact OG-CA 3.49Å
210	G	98.1	Very high	95.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-15.4	-175.9	0	0	0	0	0	114.8	G52 G53 V223	G52-G210 VanDerWaalsContact C-C 3.49Å; G52-G210 CarbonylContact C-O 3.43Å; G52-G210 CarbonylContact O-C 3.52Å; G52-G210 VanDerWaalsContact O-C 3.31Å; G52-G210 WeakPolarHBondContact O-CA 3.33Å; G53-G210 WeakPolarHBondContact CA-O 3.22Å; G210-V223 PolarHBondContact N-O 3.01Å
211	G	98.3	Very high	95.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.			trans	-67.6	158.7	174.9	0	0	0	0	0	113.1	D208 S209 V222 V223	D208-G211 WeakPolarHBondContact O-CA 3.47Å; D208-G211 PolarHBondContact O-N 2.87Å; S209-G211 PolarHBondContact O-N 2.92Å; G211-V222 WeakPolarHBondContact O-CA 3.28Å; G211-V223 WeakPolarHBondContact O-CG2 3.31Å; G211-V223 PolarHBondContact O-N 2.82Å
212	P	98.5	Very high	96	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	145.1	-177.3	28.6	-31.4	0	0	0	113.3	W37 M40 T54 V151 V214 V219	W37-P212 HydrophobicContact CZ3-CG 4.18Å; M40-P212 VanDerWaalsContact SD-CD 3.59Å; M40-P212 HydrophobicContact SD-CG 4.04Å; T54-P212 VanDerWaalsContact OG1-CB 3.3Å; T54-P212 WeakPolarHBondContact OG1-CB 3.34Å; V151-P212 WeakPolarHBondContact CA-O 3.27Å; P212-V214 HydrophobicContact CB-CG2 3.9Å; P212-V214 HydrophobicContact CG-CG2 4.35Å; P212-V219 HydrophobicContact CB-CG1 3.95Å; P212-V219 HydrophobicContact CB-CG2 4.37Å
213	L	98.6	Very high	96.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	111.2	154.1	-179.5	69.1	0	0	0	108.4	C149 V151 V172 I174 I195 T197 E220 G221 F239	C149-L213 HydrophobicContact CB-CD1 3.6Å; C149-L213 HydrophobicContact CB-CG 4.12Å; V151-L213 HydrophobicContact CG2-CB 4.45Å; V151-L213 HydrophobicContact CG2-CD1 3.43Å; V151-L213 VanDerWaalsContact CG2-CD1 3.43Å; V172-L213 HydrophobicContact CG2-CD1 4Å; I174-L213 HydrophobicContact CD1-CD2 4.07Å; I195-L213 HydrophobicContact CG2-CD2 4.03Å; T197-L213 HydrophobicContact CG2-CD1 4.17Å; T197-L213 HydrophobicContact CG2-CD2 4.28Å; L213-E220 PolarHBondContact O-N 2.86Å; L213-G221 PolarHBondContact N-O 3.4Å; L213-G221 PolarHBondContact O-N 2.94Å; L213-F239 HydrophobicContact CB-CD1 3.55Å; L213-F239 HydrophobicContact CB-CE1 3.74Å; L213-F239 HydrophobicContact CB-CG 4.23Å; L213-F239 HydrophobicContact CD1-CD1 4.49Å; L213-F239 HydrophobicContact CD1-CE1 4.04Å; L213-F239 HydrophobicContact CD1-CZ 4.12Å; L213-F239 HydrophobicContact CD2-CB 4.29Å; L213-F239 HydrophobicContact CD2-CD1 4.04Å; L213-F239 HydrophobicContact CD2-CD2 4.07Å; L213-F239 HydrophobicContact CD2-CE1 4.36Å; L213-F239 HydrophobicContact CD2-CE2 4.46Å; L213-F239 HydrophobicContact CD2-CG 3.88Å; L213-F239 HydrophobicContact CG-CD1 4.24Å; L213-F239 HydrophobicContact CG-CE1 4.27Å
214	V	98.6	Very high	96.4	Very high	14 Å²	14	21 Å²	21	9%	0.085	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	119.7	-177.5	-177.8	0	0	0	0	109.6	W37 L134 C149 D150 P212 K218	W37-V214 HydrophobicContact CH2-CB 4.21Å; W37-V214 HydrophobicContact CH2-CG2 4.03Å; W37-V214 HydrophobicContact CZ3-CB 4.26Å; W37-V214 HydrophobicContact CZ3-CG2 3.57Å; L134-V214 HydrophobicContact CD2-CG1 4.16Å; L134-V214 HydrophobicContact CD2-CG2 3.61Å; C149-V214 CarbonylContact C-O 3.49Å; C149-V214 VanDerWaalsContact CA-O 3.27Å; C149-V214 WeakPolarHBondContact CA-O 3.47Å; C149-V214 WeakPolarHBondContact CB-O 3.47Å; D150-V214 PolarHBondContact N-O 3.13Å; D150-V214 PolarHBondContact O-N 3.39Å; P212-V214 HydrophobicContact CB-CG2 3.9Å; P212-V214 HydrophobicContact CG-CG2 4.35Å; V214-K218 WeakPolarHBondContact CA-O 3.42Å
215	C	98.3	Very high	95.9	Very high	12 Å²	12	23.9 Å²	23.9	8%	0.081	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122.2	171.2	-49.4	0	0	0	0	108.3	C149 N217 K218 E220	C149-C215 HydrophobicContact CB-CB 4.05Å; C149-C215 WeakPolarHBondContact CB-SG 3.28Å; C149-C215 WeakPolarHBondContact SG-CB 3.39Å; C149-C215 CovalentContact SG-SG 2.03Å; C149-C215 PolarHBondContact SG-SG 3.28Å; C215-N217 PolarHBondContact O-N 3.05Å; C215-K218 PolarHBondContact N-O 2.7Å; C215-K218 VanDerWaalsContact N-O 3.15Å; C215-K218 PolarHBondContact O-N 2.97Å; C215-E220 HydrophobicContact CB-CB 4.47Å; C215-E220 HydrophobicContact CB-CG 3.56Å; C215-E220 VanDerWaalsContact SG-CG 3.59Å
216	G	96.4	Very high	94.8	Very high	80 Å²	80	24.1 Å²	24.1	83%	0.825	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	-116	-170.1	0	0	0	0	0	111.1
217	N	95.1	Very high	94.1	Very high	118 Å²	118	23.5 Å²	23.5	63%	0.631	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.4	14.8	-177.1	69.3	-22.7	0	0	0	114	C215	C215-N217 PolarHBondContact O-N 3.05Å
218	K	97.9	Very high	93.8	Very high	59 Å²	59	24.1 Å²	24.1	26%	0.257	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	152.9	-179.4	-63.1	-170.1	-176.4	-174.2	0	111.7	P135 Q137 V214 C215 E220	P135-K218 HydrophobicContact CG-CG 4.3Å; P135-K218 VanDerWaalsContact O-CA 3.3Å; P135-K218 WeakPolarHBondContact O-CA 3.48Å; Q137-K218 VanDerWaalsContact OE1-NZ 3.13Å; V214-K218 WeakPolarHBondContact CA-O 3.42Å; C215-K218 PolarHBondContact N-O 2.7Å; C215-K218 VanDerWaalsContact N-O 3.15Å; C215-K218 PolarHBondContact O-N 2.97Å; K218-E220 PolarHBondContact O-N 3.48Å
219	V	98.5	Very high	93.4	Very high	0 Å²	0	28 Å²	28	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	113.4	167.3	-168.3	0	0	0	0	108.3	T54 L134 P135 L136 Q137 P212 G221 L242	T54-V219 HydrophobicContact CG2-CG2 3.88Å; L134-V219 HydrophobicContact CB-CG2 4.24Å; L134-V219 HydrophobicContact CD2-CG2 3.56Å; L134-V219 HydrophobicContact CG-CG2 3.98Å; P135-V219 PolarHBondContact O-N 2.8Å; L136-V219 HydrophobicContact CD2-CB 3.78Å; L136-V219 HydrophobicContact CD2-CG1 4.42Å; L136-V219 HydrophobicContact CD2-CG2 3.91Å; Q137-V219 PolarHBondContact N-O 2.86Å; P212-V219 HydrophobicContact CB-CG1 3.95Å; P212-V219 HydrophobicContact CB-CG2 4.37Å; V219-G221 WeakPolarHBondContact CG1-O 3.36Å; V219-L242 HydrophobicContact CB-CD1 3.9Å; V219-L242 HydrophobicContact CG1-CD1 3.47Å; V219-L242 VanDerWaalsContact CG1-CD1 3.47Å
220	E	98.5	Very high	93.1	Very high	3 Å²	3	28.3 Å²	28.3	1%	0.014	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-29.5	176.3	-71	-72.6	-176	0	0	111.4	Q137 R141 V143 I195 L213 C215 K218 L242	Q137-E220 VanDerWaalsContact CB-OE2 3.24Å; Q137-E220 WeakPolarHBondContact CB-OE2 3.44Å; Q137-E220 WeakPolarHBondContact CG-OE2 3.41Å; Q137-E220 PolarHBondContact NE2-OE1 3.05Å; R141-E220 IonicContact CZ-OE1 2.68Å; R141-E220 IonicContact NH1-OE1 3.65Å; R141-E220 IonicContact NH2-OE1 3.2Å; R141-E220 PolarHBondContact NH2-OE1 3.06Å; V143-E220 HydrophobicContact CG2-CB 4.18Å; V143-E220 HydrophobicContact CG2-CG 3.79Å; I195-E220 HydrophobicContact CD1-CB 4.27Å; L213-E220 PolarHBondContact O-N 2.86Å; C215-E220 HydrophobicContact CB-CB 4.47Å; C215-E220 HydrophobicContact CB-CG 3.56Å; C215-E220 VanDerWaalsContact SG-CG 3.59Å; K218-E220 PolarHBondContact O-N 3.48Å; E220-L242 PolarHBondContact O-N 3.41Å
221	G	98.2	Very high	92.7	Very high	0 Å²	0	29 Å²	29	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	169.1	-179.1	0	0	0	0	0	115	L213 V219 T240	L213-G221 PolarHBondContact N-O 3.4Å; L213-G221 PolarHBondContact O-N 2.94Å; V219-G221 WeakPolarHBondContact CG1-O 3.36Å; G221-T240 CarbonylContact C-O 2.96Å; G221-T240 WeakPolarHBondContact CA-O 3.14Å
222	V	98.5	Very high	92.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.5	175.4	168.6	0	0	0	0	108.9	L62 A64 L116 G211 A224 F239 T240 L242	L62-V222 HydrophobicContact CD2-CG2 3.81Å; L62-V222 HydrophobicContact CG-CG2 4.03Å; A64-V222 HydrophobicContact CB-CG1 4.23Å; L116-V222 HydrophobicContact CD2-CB 3.98Å; L116-V222 HydrophobicContact CD2-CG1 4.34Å; L116-V222 HydrophobicContact CD2-CG2 4.01Å; G211-V222 WeakPolarHBondContact O-CA 3.28Å; V222-A224 PolarHBondContact O-N 3.42Å; V222-A224 VanDerWaalsContact O-N 3.14Å; V222-F239 CarbonylContact O-C 3.31Å; V222-F239 WeakPolarHBondContact O-CA 3.45Å; V222-F239 WeakPolarHBondContact O-CB 3.26Å; V222-T240 PolarHBondContact N-O 3.32Å; V222-T240 PolarHBondContact O-N 2.92Å; V222-L242 HydrophobicContact CG2-CD1 4.29Å; V222-L242 HydrophobicContact CG2-CD2 3.8Å; V222-L242 HydrophobicContact CG2-CG 4.41Å
223	V	97.3	Very high	92.3	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	119.2	178.2	179.6	0	0	0	0	109.2	V151 D208 G210 G211 F239	V151-V223 HydrophobicContact CG1-CG2 3.93Å; D208-V223 HydrophobicContact CB-CG1 4.43Å; D208-V223 WeakPolarHBondContact O-CB 3.19Å; D208-V223 WeakPolarHBondContact O-CG2 3.43Å; G210-V223 PolarHBondContact N-O 3.01Å; G211-V223 WeakPolarHBondContact O-CG2 3.31Å; G211-V223 PolarHBondContact O-N 2.82Å; V223-F239 HydrophobicContact CB-CD1 4.25Å; V223-F239 HydrophobicContact CB-CE1 4.2Å; V223-F239 HydrophobicContact CG2-CD1 3.83Å; V223-F239 HydrophobicContact CG2-CE1 3.39Å; V223-F239 HydrophobicContact CG2-CZ 4.34Å
224	A	91	Very high	92.1	Very high	5 Å²	5	45.5 Å²	45.5	4%	0.041	26%	0.256	C	S	.	.			trans	-109.5	177.7	178.4	0	0	0	0	0	110.8	V222 V238	V222-A224 PolarHBondContact O-N 3.42Å; V222-A224 VanDerWaalsContact O-N 3.14Å; A224-V238 PolarHBondContact N-O 3.43Å; A224-V238 VanDerWaalsContact N-O 3.13Å
225	W	81.6	Confident	92	Very high	67 Å²	67	48.5 Å²	48.5	25%	0.254	27%	0.268	S	S	.	.			trans	56.3	56.7	166.7	-156.4	-6	0	0	0	115.1	I112 V189 S227 R228 V238	I112-W225 HydrophobicContact CB-CD2 4.43Å; I112-W225 HydrophobicContact CB-CE3 4.44Å; I112-W225 HydrophobicContact CD1-CD2 4.31Å; I112-W225 HydrophobicContact CD1-CE3 3.54Å; I112-W225 HydrophobicContact CD1-CH2 4.19Å; I112-W225 HydrophobicContact CD1-CZ3 3.49Å; I112-W225 VanDerWaalsContact CD1-CZ3 3.49Å; I112-W225 HydrophobicContact CG1-CE3 4.49Å; I112-W225 HydrophobicContact CG2-CB 3.96Å; I112-W225 HydrophobicContact CG2-CD2 3.44Å; I112-W225 VanDerWaalsContact CG2-CD2 3.44Å; I112-W225 HydrophobicContact CG2-CE3 3.85Å; I112-W225 HydrophobicContact CG2-CG 3.52Å; I112-W225 HydrophobicContact CG2-CZ2 4.25Å; I112-W225 HydrophobicContact CG2-CZ3 4.42Å; V189-W225 HydrophobicContact CG1-CH2 4.14Å; V189-W225 HydrophobicContact CG1-CZ3 4.34Å; W225-S227 VanDerWaalsContact CD1-OG 3.31Å; W225-S227 PolarHBondContact NE1-OG 2.79Å; W225-S227 PolarHBondContact O-N 2.69Å; W225-R228 HydrophobicContact CG-CB 4.33Å; W225-R228 WeakPolarHBondContact O-CB 3.35Å; W225-R228 PolarHBondContact O-N 3.15Å; W225-R228 VanDerWaalsContact O-N 3.15Å; W225-V238 HydrophobicContact CE3-CB 4.32Å; W225-V238 HydrophobicContact CE3-CG2 4.01Å; W225-V238 HydrophobicContact CZ3-CG2 4.41Å
226	G	67.9	Low	91.9	Very high	18 Å²	18	48 Å²	48	19%	0.186	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-17.9	-177.3	0	0	0	0	0	115.9	R206 S209 R228	R206-G226 VanDerWaalsContact CG-O 3.24Å; R206-G226 WeakPolarHBondContact CG-O 3.47Å; S209-G226 WeakPolarHBondContact OG-CA 3.49Å; G226-R228 VanDerWaalsContact C-N 3.34Å
227	S	77.8	Confident	92	Very high	104 Å²	104	44.1 Å²	44.1	73%	0.727	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-6	179.1	59.1	0	0	0	0	114.6	W225	W225-S227 VanDerWaalsContact CD1-OG 3.31Å; W225-S227 PolarHBondContact NE1-OG 2.79Å; W225-S227 PolarHBondContact O-N 2.69Å
228	R	87.3	Confident	92.1	Very high	20 Å²	20	38.6 Å²	38.6	8%	0.075	20%	0.196	C	C	.	.	S	Bend	trans	-64.5	147.2	-179.7	-171.9	-175.9	59	80.8	7.1	112.1	D203 S204 W225 G226 C230 K235 P236	D203-R228 IonicContact OD1-CZ 3.58Å; D203-R228 IonicContact OD1-NH1 2.77Å; D203-R228 IonicContact OD1-NH2 3.75Å; D203-R228 PolarHBondContact OD1-NH2 3.04Å; D203-R228 IonicContact OD2-CZ 3.96Å; D203-R228 IonicContact OD2-NH1 2.77Å; D203-R228 PolarHBondContact OD2-NH1 3.19Å; D203-R228 IonicContact OD2-NH2 3.03Å; D203-R228 PolarHBondContact OD2-NH2 3.09Å; S204-R228 PolarHBondContact O-NH2 3.21Å; S204-R228 VanDerWaalsContact O-NH2 3.15Å; W225-R228 HydrophobicContact CG-CB 4.33Å; W225-R228 WeakPolarHBondContact O-CB 3.35Å; W225-R228 PolarHBondContact O-N 3.15Å; W225-R228 VanDerWaalsContact O-N 3.15Å; G226-R228 VanDerWaalsContact C-N 3.34Å; R228-C230 PolarHBondContact O-N 3.47Å; R228-K235 HydrophobicContact CG-CB 4.23Å; R228-K235 PolarHBondContact NH1-O 3.22Å; R228-P236 VanDerWaalsContact CD-O 3.27Å; R228-P236 WeakPolarHBondContact CD-O 3.44Å; R228-P236 PolarHBondContact NE-O 3.05Å
229	V	88.4	Confident	92.1	Very high	81 Å²	81	35.9 Å²	35.9	49%	0.491	18%	0.184	S	C	.	.	P	Polyproline II helix	trans	-68.5	120.1	167.5	62.7	0	0	0	0	110.7	N232 K235	V229-N232 HydrophobicContact CG1-CB 4.19Å; V229-K235 HydrophobicContact CG1-CB 4.05Å; V229-K235 HydrophobicContact CG1-CG 3.78Å
230	C	91	Very high	92.1	Very high	11 Å²	11	35.9 Å²	35.9	7%	0.074	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	150	-177.5	-35.4	0	0	0	0	111.8	D203 C205 R228 N232	D203-C230 VanDerWaalsContact OD2-CA 3.28Å; D203-C230 WeakPolarHBondContact OD2-CA 3.27Å; C205-C230 WeakPolarHBondContact CA-SG 3.44Å; C205-C230 HydrophobicContact CB-CB 3.65Å; C205-C230 WeakPolarHBondContact CB-SG 3.42Å; C205-C230 WeakPolarHBondContact SG-CB 3.41Å; C205-C230 CovalentContact SG-SG 2.02Å; C205-C230 PolarHBondContact SG-SG 3.31Å; R228-C230 PolarHBondContact O-N 3.47Å; C230-N232 VanDerWaalsContact C-N 3.25Å; C230-N232 PolarHBondContact O-N 3.35Å
231	G	90.2	Very high	92	Very high	14 Å²	14	36.3 Å²	36.3	14%	0.144	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	-0.7	172.9	0	0	0	0	0	115.5	S199 R201 D203	S199-G231 CarbonylContact O-C 3.55Å; S199-G231 WeakPolarHBondContact O-CA 3.24Å; R201-G231 PolarHBondContact N-O 2.98Å; D203-G231 PolarHBondContact OD2-N 2.9Å
232	N	93.4	Very high	92	Very high	67 Å²	67	36.4 Å²	36.4	36%	0.358	19%	0.186	S	C	.	.			trans	-92.7	114	178.4	-176.2	-15.3	0	0	0	110.2	S199 V229 C230 K234 K235	S199-N232 PolarHBondContact O-N 3.37Å; S199-N232 PolarHBondContact OG-O 3.07Å; V229-N232 HydrophobicContact CG1-CB 4.19Å; C230-N232 VanDerWaalsContact C-N 3.25Å; C230-N232 PolarHBondContact O-N 3.35Å; N232-K234 PolarHBondContact O-N 3.29Å; N232-K234 WeakPolarHBondContact OD1-CB 3.19Å; N232-K234 PolarHBondContact OD1-N 3.41Å; N232-K235 HydrophobicContact CB-CB 4.46Å; N232-K235 CarbonylContact O-C 3.4Å; N232-K235 WeakPolarHBondContact O-CA 3.28Å; N232-K235 PolarHBondContact O-N 2.95Å; N232-K235 VanDerWaalsContact O-O 3.1Å
233	R	93.9	Very high	91.9	Very high	162 Å²	162	36.8 Å²	36.8	61%	0.611	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	-28	177.5	-172.2	175.2	72.1	164.7	1.8	114.2	H185 N200 K235	H185-R233 PolarHBondContact CE1-O 2.02Å; N200-R233 HydrophobicContact CB-CB 3.84Å; N200-R233 HydrophobicContact CB-CG 3.97Å; R233-K235 VanDerWaalsContact C-N 3.26Å
234	K	95	Very high	91.8	Very high	117 Å²	117	38.9 Å²	38.9	51%	0.509	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-4.6	176.9	-68.1	-171.5	176.7	-176.7	0	113.4	V184 H185 N232	V184-K234 HydrophobicContact CG2-CD 3.93Å; V184-K234 HydrophobicContact CG2-CG 4.29Å; H185-K234 VanDerWaalsContact CA-O 3.31Å; H185-K234 WeakPolarHBondContact CA-O 3.48Å; H185-K234 PolarHBondContact ND1-O 3.3Å; N232-K234 PolarHBondContact O-N 3.29Å; N232-K234 WeakPolarHBondContact OD1-CB 3.19Å; N232-K234 PolarHBondContact OD1-N 3.41Å
235	K	95.8	Very high	92.1	Very high	78 Å²	78	39.1 Å²	39.1	34%	0.339	20%	0.201	S	C	.	.	S	Bend	trans	-126.1	81.2	173.8	-63.7	-63.5	175.1	-171.5	0	107.7	H185 S199 R228 V229 N232 R233	H185-K235 PolarHBondContact O-NZ 2.88Å; S199-K235 WeakPolarHBondContact CB-O 3.27Å; S199-K235 VanDerWaalsContact OG-C 3.32Å; S199-K235 PolarHBondContact OG-O 3.25Å; R228-K235 HydrophobicContact CG-CB 4.23Å; R228-K235 PolarHBondContact NH1-O 3.22Å; V229-K235 HydrophobicContact CG1-CB 4.05Å; V229-K235 HydrophobicContact CG1-CG 3.78Å; N232-K235 HydrophobicContact CB-CB 4.46Å; N232-K235 CarbonylContact O-C 3.4Å; N232-K235 WeakPolarHBondContact O-CA 3.28Å; N232-K235 PolarHBondContact O-N 2.95Å; N232-K235 VanDerWaalsContact O-O 3.1Å; R233-K235 VanDerWaalsContact C-N 3.26Å
236	P	96.9	Very high	92.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.204	C	C	.	.			trans	-51.7	152.9	177.6	-27.9	36.9	0	0	0	112.6	M175 H185 H186 C196 T197 S199 R228	M175-P236 HydrophobicContact CE-CB 4.27Å; M175-P236 HydrophobicContact CE-CG 3.93Å; M175-P236 HydrophobicContact SD-CB 3.86Å; M175-P236 HydrophobicContact SD-CG 3.48Å; M175-P236 WeakPolarHBondContact SD-CG 3.24Å; H185-P236 HydrophobicContact CB-CG 4.29Å; H186-P236 PolarHBondContact NE2-O 3.18Å; C196-P236 HydrophobicContact CB-CB 4.38Å; T197-P236 WeakPolarHBondContact O-CB 3.01Å; S199-P236 VanDerWaalsContact OG-CA 3.31Å; S199-P236 WeakPolarHBondContact OG-CA 3.41Å; R228-P236 VanDerWaalsContact CD-O 3.27Å; R228-P236 WeakPolarHBondContact CD-O 3.44Å; R228-P236 PolarHBondContact NE-O 3.05Å
237	G	97	Very high	94.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	144.4	169.4	0	0	0	0	0	109.8	C196 T197	C196-G237 VanDerWaalsContact CA-O 3.22Å; C196-G237 WeakPolarHBondContact CA-O 3.39Å; T197-G237 PolarHBondContact N-O 3.17Å; T197-G237 PolarHBondContact O-N 2.92Å
238	V	97.5	Very high	95	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	135.4	-178.2	-177.9	0	0	0	0	109.1	I112 H186 V190 M194 I195 A224 W225	I112-V238 HydrophobicContact CD1-CG1 4.49Å; H186-V238 VanDerWaalsContact NE2-CG2 3.34Å; H186-V238 WeakPolarHBondContact NE2-CG2 3.41Å; V190-V238 HydrophobicContact CG2-CG2 4.39Å; M194-V238 HydrophobicContact CB-CG1 4.32Å; M194-V238 HydrophobicContact CG-CG1 4.37Å; M194-V238 HydrophobicContact SD-CG1 4Å; I195-V238 WeakPolarHBondContact O-CA 3.3Å; A224-V238 PolarHBondContact N-O 3.43Å; A224-V238 VanDerWaalsContact N-O 3.13Å; W225-V238 HydrophobicContact CE3-CB 4.32Å; W225-V238 HydrophobicContact CE3-CG2 4.01Å; W225-V238 HydrophobicContact CZ3-CG2 4.41Å
239	F	98.2	Very high	95.5	Very high	1 Å²	1	39.9 Å²	39.9	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.7	-177.7	-57.5	-105.7	0	0	0	109	V151 M194 I195 T197 L213 V222 V223 R241	V151-F239 HydrophobicContact CG2-CE1 3.78Å; V151-F239 HydrophobicContact CG2-CZ 3.86Å; M194-F239 CarbonylContact C-O 3.54Å; M194-F239 VanDerWaalsContact CA-O 3.22Å; M194-F239 WeakPolarHBondContact CA-O 3.48Å; I195-F239 HydrophobicContact CB-CB 4.46Å; I195-F239 PolarHBondContact N-O 3.42Å; I195-F239 PolarHBondContact O-N 2.97Å; T197-F239 HydrophobicContact CG2-CD2 3.96Å; T197-F239 HydrophobicContact CG2-CE2 3.4Å; T197-F239 HydrophobicContact CG2-CZ 4.08Å; T197-F239 WeakPolarHBondContact OG1-CE2 3.29Å; L213-F239 HydrophobicContact CB-CD1 3.55Å; L213-F239 HydrophobicContact CB-CE1 3.74Å; L213-F239 HydrophobicContact CB-CG 4.23Å; L213-F239 HydrophobicContact CD1-CD1 4.49Å; L213-F239 HydrophobicContact CD1-CE1 4.04Å; L213-F239 HydrophobicContact CD1-CZ 4.12Å; L213-F239 HydrophobicContact CD2-CB 4.29Å; L213-F239 HydrophobicContact CD2-CD1 4.04Å; L213-F239 HydrophobicContact CD2-CD2 4.07Å; L213-F239 HydrophobicContact CD2-CE1 4.36Å; L213-F239 HydrophobicContact CD2-CE2 4.46Å; L213-F239 HydrophobicContact CD2-CG 3.88Å; L213-F239 HydrophobicContact CG-CD1 4.24Å; L213-F239 HydrophobicContact CG-CE1 4.27Å; V222-F239 CarbonylContact O-C 3.31Å; V222-F239 WeakPolarHBondContact O-CA 3.45Å; V222-F239 WeakPolarHBondContact O-CB 3.26Å; V223-F239 HydrophobicContact CB-CD1 4.25Å; V223-F239 HydrophobicContact CB-CE1 4.2Å; V223-F239 HydrophobicContact CG2-CD1 3.83Å; V223-F239 HydrophobicContact CG2-CE1 3.39Å; V223-F239 HydrophobicContact CG2-CZ 4.34Å; F239-R241 PolarHBondContact O-N 3.26Å
240	T	98.3	Very high	95.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	123.4	169.2	-51.9	0	0	0	0	108.5	L116 G221 V222 Y245	L116-T240 HydrophobicContact CD1-CG2 4.08Å; L116-T240 HydrophobicContact CD2-CG2 3.92Å; L116-T240 HydrophobicContact CG-CG2 3.81Å; G221-T240 CarbonylContact C-O 2.96Å; G221-T240 WeakPolarHBondContact CA-O 3.14Å; V222-T240 PolarHBondContact N-O 3.32Å; V222-T240 PolarHBondContact O-N 2.92Å; T240-Y245 HydrophobicContact CG2-CD2 4Å; T240-Y245 HydrophobicContact CG2-CE2 3.4Å; T240-Y245 VanDerWaalsContact CG2-CE2 3.4Å
241	R	97.9	Very high	96.1	Very high	12 Å²	12	42.9 Å²	42.9	5%	0.045	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	129.4	179.7	-170.5	166.8	85.5	-123.2	-10.4	109.7	D140 D142 Q192 N193 I195 F239 S243 T244 Y245	D140-R241 IonicContact OD1-CZ 3.5Å; D140-R241 IonicContact OD1-NE 2.82Å; D140-R241 PolarHBondContact OD1-NE 3.26Å; D140-R241 IonicContact OD1-NH2 3.89Å; D140-R241 PolarHBondContact OD1-NH2 3.39Å; D140-R241 IonicContact OD2-NH2 3.49Å; D142-R241 IonicContact OD1-CZ 3.46Å; D142-R241 IonicContact OD1-NH1 3.79Å; D142-R241 PolarHBondContact OD1-NH1 3.44Å; Q192-R241 PolarHBondContact O-NH1 3.16Å; Q192-R241 PolarHBondContact O-NH2 2.5Å; Q192-R241 VanDerWaalsContact O-NH2 3.09Å; N193-R241 WeakPolarHBondContact O-CB 3.34Å; N193-R241 PolarHBondContact O-N 2.92Å; I195-R241 HydrophobicContact CD1-CB 3.9Å; I195-R241 HydrophobicContact CD1-CG 3.56Å; I195-R241 HydrophobicContact CG1-CB 3.95Å; I195-R241 HydrophobicContact CG1-CG 3.96Å; F239-R241 PolarHBondContact O-N 3.26Å; R241-S243 PolarHBondContact NE-OG 3.08Å; R241-S243 VanDerWaalsContact NE-OG 3.08Å; R241-T244 PolarHBondContact O-OG1 3.18Å; R241-T244 VanDerWaalsContact O-OG1 3.11Å; R241-Y245 WeakPolarHBondContact O-CD2 3.48Å
242	L	97.4	Very high	96.3	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	20%	0.198	C	C	.	.	S	Bend	trans	-81.3	-29.3	-171.3	-64.3	-173.8	0	0	0	114.8	L62 L116 L136 V219 E220 V222 T244 Y245 K246 I249	L62-L242 HydrophobicContact CD2-CD1 3.58Å; L62-L242 HydrophobicContact CD2-CD2 3.75Å; L62-L242 HydrophobicContact CD2-CG 4.33Å; L116-L242 HydrophobicContact CD1-CD2 4.21Å; L116-L242 HydrophobicContact CD2-CD2 3.81Å; L136-L242 HydrophobicContact CB-CD1 4.48Å; L136-L242 HydrophobicContact CD1-CD1 4.45Å; L136-L242 HydrophobicContact CD2-CD1 3.67Å; L136-L242 HydrophobicContact CG-CD1 4.42Å; V219-L242 HydrophobicContact CB-CD1 3.9Å; V219-L242 HydrophobicContact CG1-CD1 3.47Å; V219-L242 VanDerWaalsContact CG1-CD1 3.47Å; E220-L242 PolarHBondContact O-N 3.41Å; V222-L242 HydrophobicContact CG2-CD1 4.29Å; V222-L242 HydrophobicContact CG2-CD2 3.8Å; V222-L242 HydrophobicContact CG2-CG 4.41Å; L242-T244 PolarHBondContact O-N 3.14Å; L242-T244 VanDerWaalsContact O-N 3.15Å; L242-Y245 PolarHBondContact O-N 3.46Å; L242-K246 PolarHBondContact O-N 3.34Å; L242-I249 HydrophobicContact CD2-CD1 4.34Å
243	S	96.1	Very high	96.4	Very high	9 Å²	9	41.4 Å²	41.4	6%	0.063	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-56.6	-34.1	-177	62.5	0	0	0	0	113.1	E139 D140 R241 Y245	E139-S243 VanDerWaalsContact O-CB 3.28Å; E139-S243 WeakPolarHBondContact O-CB 3.4Å; D140-S243 PolarHBondContact OD1-OG 3.26Å; R241-S243 PolarHBondContact NE-OG 3.08Å; R241-S243 VanDerWaalsContact NE-OG 3.08Å; S243-Y245 VanDerWaalsContact C-N 3.29Å; S243-Y245 PolarHBondContact O-N 3.25Å
244	T	95.3	Very high	96.3	Very high	46 Å²	46	40.5 Å²	40.5	28%	0.282	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-75.8	-14.9	-179.7	56.2	0	0	0	0	113.8	R241 L242	R241-T244 PolarHBondContact O-OG1 3.18Å; R241-T244 VanDerWaalsContact O-OG1 3.11Å; L242-T244 PolarHBondContact O-N 3.14Å; L242-T244 VanDerWaalsContact O-N 3.15Å
245	Y	97.4	Very high	95.8	Very high	10 Å²	10	36.4 Å²	36.4	4%	0.039	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-111.1	8	-179.8	-61.4	-86.3	0	0	0	112.9	H104 D114 L116 N193 T240 R241 L242 S243 D247 W248 I249	H104-Y245 AromaticContact CD2-CD1 3.61Å; H104-Y245 AromaticContact CD2-CE1 3.93Å; H104-Y245 AromaticContact NE2-CD1 3.51Å; H104-Y245 AromaticContact NE2-CE1 3.68Å; D114-Y245 WeakPolarHBondContact CA-OH 3.48Å; D114-Y245 HydrophobicContact CB-CE1 4.27Å; D114-Y245 PolarHBondContact N-OH 3.3Å; D114-Y245 WeakPolarHBondContact OD1-CE1 3.07Å; D114-Y245 VanDerWaalsContact OD1-CZ 3.24Å; D114-Y245 PolarHBondContact OD1-OH 2.92Å; L116-Y245 HydrophobicContact CD1-CD1 3.93Å; L116-Y245 HydrophobicContact CD1-CD2 3.56Å; L116-Y245 HydrophobicContact CD1-CE2 4.2Å; L116-Y245 HydrophobicContact CD1-CG 3.41Å; L116-Y245 VanDerWaalsContact CD1-CG 3.41Å; N193-Y245 HydrophobicContact CB-CE2 3.93Å; N193-Y245 WeakPolarHBondContact CB-OH 3.28Å; N193-Y245 PolarHBondContact ND2-OH 3.19Å; T240-Y245 HydrophobicContact CG2-CD2 4Å; T240-Y245 HydrophobicContact CG2-CE2 3.4Å; T240-Y245 VanDerWaalsContact CG2-CE2 3.4Å; R241-Y245 WeakPolarHBondContact O-CD2 3.48Å; L242-Y245 PolarHBondContact O-N 3.46Å; S243-Y245 VanDerWaalsContact C-N 3.29Å; S243-Y245 PolarHBondContact O-N 3.25Å; Y245-D247 VanDerWaalsContact C-N 3.3Å; Y245-D247 PolarHBondContact O-N 2.77Å; Y245-W248 PolarHBondContact O-N 3.05Å; Y245-W248 VanDerWaalsContact O-N 3.07Å; Y245-I249 WeakPolarHBondContact O-CG1 3.29Å; Y245-I249 PolarHBondContact O-N 2.96Å
246	K	95.9	Very high	94.9	Very high	73 Å²	73	38 Å²	38	32%	0.317	20%	0.197	S	C	.	.	H	α-helix	trans	-48.1	-52	-177.6	-178.2	-163.3	170.7	-166.6	0	112.1	L242 W248 I249 E250	L242-K246 PolarHBondContact O-N 3.34Å; K246-W248 VanDerWaalsContact C-N 3.32Å; K246-W248 PolarHBondContact O-N 2.73Å; K246-I249 PolarHBondContact O-N 3.13Å; K246-I249 VanDerWaalsContact O-N 3.17Å; K246-E250 VanDerWaalsContact CE-CD 3.46Å; K246-E250 WeakPolarHBondContact CE-OE1 2.93Å; K246-E250 HydrophobicContact CG-CG 4.39Å; K246-E250 IonicContact NZ-OE1 3.74Å; K246-E250 WeakPolarHBondContact O-CG 3.46Å; K246-E250 PolarHBondContact O-N 2.79Å
247	D	95.6	Very high	93.5	Very high	110 Å²	110	41.9 Å²	41.9	59%	0.588	21%	0.212	S	C	*	.	H	α-helix	trans	-62.5	-39.5	-177.1	-64.9	-12.6	0	0	0	111.9	Y245 N251	Y245-D247 VanDerWaalsContact C-N 3.3Å; Y245-D247 PolarHBondContact O-N 2.77Å; D247-N251 WeakPolarHBondContact O-CB 3.49Å; D247-N251 PolarHBondContact O-N 3.39Å; D247-N251 PolarHBondContact O-ND2 3.44Å
248	W	96.9	Very high	91.4	Very high	37 Å²	37	48 Å²	48	14%	0.14	25%	0.249	C	C	.	.	H	α-helix	trans	-65	-46.3	175	171	78	0	0	0	111.3	V102 H104 L116 L118 Y245 K246 E250 N251 V252	V102-W248 HydrophobicContact CG1-CZ2 4.41Å; H104-W248 HydrophobicContact CB-CH2 4.22Å; H104-W248 HydrophobicContact CB-CZ2 3.97Å; H104-W248 AromaticContact CD2-CD1 3.88Å; H104-W248 AromaticContact CD2-CD2 3.45Å; H104-W248 VanDerWaalsContact CD2-CD2 3.45Å; H104-W248 AromaticContact CD2-CE2 3.72Å; H104-W248 AromaticContact CD2-CE3 3.84Å; H104-W248 AromaticContact CD2-CG 3.59Å; H104-W248 AromaticContact CD2-NE1 3.95Å; L116-W248 HydrophobicContact CB-CH2 3.95Å; L116-W248 HydrophobicContact CB-CZ3 3.65Å; L116-W248 HydrophobicContact CD1-CE3 4.31Å; L116-W248 HydrophobicContact CD1-CZ3 4.01Å; L116-W248 HydrophobicContact CG-CZ3 4.5Å; L118-W248 HydrophobicContact CB-CH2 4.41Å; L118-W248 HydrophobicContact CD1-CE3 4.45Å; L118-W248 HydrophobicContact CD1-CH2 3.85Å; L118-W248 HydrophobicContact CD1-CZ2 4.35Å; L118-W248 HydrophobicContact CD1-CZ3 3.9Å; L118-W248 HydrophobicContact CG-CH2 4Å; L118-W248 HydrophobicContact CG-CZ3 4.24Å; Y245-W248 PolarHBondContact O-N 3.05Å; Y245-W248 VanDerWaalsContact O-N 3.07Å; K246-W248 VanDerWaalsContact C-N 3.32Å; K246-W248 PolarHBondContact O-N 2.73Å; W248-E250 PolarHBondContact O-N 3.4Å; W248-N251 PolarHBondContact O-N 2.81Å; W248-V252 HydrophobicContact CD2-CG2 4.32Å; W248-V252 HydrophobicContact CG-CG2 4.46Å; W248-V252 HydrophobicContact CZ2-CG2 4.18Å; W248-V252 WeakPolarHBondContact O-CB 3.31Å; W248-V252 VanDerWaalsContact O-CG2 3.27Å; W248-V252 WeakPolarHBondContact O-CG2 3.37Å; W248-V252 PolarHBondContact O-N 3.45Å
249	I	97.3	Very high	89	Confident	5 Å²	5	58.6 Å²	58.6	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-59.8	-49.7	179.9	-65.5	172.3	0	0	0	110.4	L62 L118 L136 L242 Y245 K246 V252 M253	L62-I249 HydrophobicContact CD1-CD1 4.42Å; L62-I249 HydrophobicContact CD2-CD1 4.43Å; L118-I249 HydrophobicContact CD1-CB 4.41Å; L118-I249 HydrophobicContact CD1-CG1 4.45Å; L118-I249 HydrophobicContact CD1-CG2 4.22Å; L136-I249 HydrophobicContact CD1-CD1 3.86Å; L136-I249 HydrophobicContact CD1-CG2 3.87Å; L242-I249 HydrophobicContact CD2-CD1 4.34Å; Y245-I249 WeakPolarHBondContact O-CG1 3.29Å; Y245-I249 PolarHBondContact O-N 2.96Å; K246-I249 PolarHBondContact O-N 3.13Å; K246-I249 VanDerWaalsContact O-N 3.17Å; I249-V252 PolarHBondContact O-N 3.44Å; I249-M253 HydrophobicContact CG2-CG 4.42Å; I249-M253 HydrophobicContact CG2-SD 3.65Å; I249-M253 WeakPolarHBondContact O-CB 3.38Å; I249-M253 VanDerWaalsContact O-CG 3.27Å; I249-M253 WeakPolarHBondContact O-CG 3.47Å; I249-M253 PolarHBondContact O-N 3.09Å
250	E	95.8	Very high	88.5	Confident	81 Å²	81	61.5 Å²	61.5	38%	0.379	32%	0.318	S	S	.	.	H	α-helix	trans	-64.2	-43.5	-179.5	-71.2	179.3	173.8	0	0	111.8	K246 W248 V252 M253 H254	K246-E250 VanDerWaalsContact CE-CD 3.46Å; K246-E250 WeakPolarHBondContact CE-OE1 2.93Å; K246-E250 HydrophobicContact CG-CG 4.39Å; K246-E250 IonicContact NZ-OE1 3.74Å; K246-E250 WeakPolarHBondContact O-CG 3.46Å; K246-E250 PolarHBondContact O-N 2.79Å; W248-E250 PolarHBondContact O-N 3.4Å; E250-V252 PolarHBondContact O-N 3.06Å; E250-M253 PolarHBondContact O-N 3.29Å; E250-H254 WeakPolarHBondContact O-CB 3.33Å; E250-H254 VanDerWaalsContact O-CG 3.31Å; E250-H254 PolarHBondContact O-N 3.49Å; E250-H254 PolarHBondContact O-ND1 3.43Å
251	N	95.5	Very high	88	Confident	75 Å²	75	64.6 Å²	64.6	40%	0.401	34%	0.335	S	S	.	.	H	α-helix	trans	-62	-44.4	177.3	-78.4	-38.3	0	0	0	112.1	D247 W248 H254 G255 N256	D247-N251 WeakPolarHBondContact O-CB 3.49Å; D247-N251 PolarHBondContact O-N 3.39Å; D247-N251 PolarHBondContact O-ND2 3.44Å; W248-N251 PolarHBondContact O-N 2.81Å; N251-H254 PolarHBondContact O-N 3.34Å; N251-G255 PolarHBondContact O-N 3.19Å; N251-N256 HydrophobicContact CB-CB 4.38Å; N251-N256 WeakPolarHBondContact O-CA 3.14Å; N251-N256 WeakPolarHBondContact O-CB 3.49Å; N251-N256 PolarHBondContact O-N 3.16Å
252	V	95.8	Very high	87.5	Confident	4 Å²	4	67.6 Å²	67.6	2%	0.024	35%	0.351	C	S	.	.	H	α-helix	trans	-61	-52.7	174.2	171.2	0	0	0	0	109.1	W60 V102 L118 W248 I249 E250 H254 G255 W257	W60-V252 HydrophobicContact CH2-CG1 3.96Å; W60-V252 HydrophobicContact CZ3-CG1 4.02Å; V102-V252 HydrophobicContact CB-CG1 4.09Å; V102-V252 HydrophobicContact CG1-CG1 3.97Å; V102-V252 HydrophobicContact CG1-CG2 4.02Å; V102-V252 HydrophobicContact CG2-CG1 4.26Å; L118-V252 HydrophobicContact CB-CG1 3.93Å; L118-V252 HydrophobicContact CD1-CB 3.64Å; L118-V252 HydrophobicContact CD1-CG1 3.4Å; L118-V252 VanDerWaalsContact CD1-CG1 3.4Å; L118-V252 HydrophobicContact CD1-CG2 4.33Å; L118-V252 HydrophobicContact CG-CG1 4.29Å; W248-V252 HydrophobicContact CD2-CG2 4.32Å; W248-V252 HydrophobicContact CG-CG2 4.46Å; W248-V252 HydrophobicContact CZ2-CG2 4.18Å; W248-V252 WeakPolarHBondContact O-CB 3.31Å; W248-V252 VanDerWaalsContact O-CG2 3.27Å; W248-V252 WeakPolarHBondContact O-CG2 3.37Å; W248-V252 PolarHBondContact O-N 3.45Å; I249-V252 PolarHBondContact O-N 3.44Å; E250-V252 PolarHBondContact O-N 3.06Å; V252-H254 PolarHBondContact O-N 3.47Å; V252-H254 VanDerWaalsContact O-N 3.08Å; V252-G255 PolarHBondContact O-N 3.05Å; V252-W257 VanDerWaalsContact C-CZ3 3.49Å; V252-W257 HydrophobicContact CB-CE3 4.07Å; V252-W257 HydrophobicContact CB-CZ3 4.19Å; V252-W257 HydrophobicContact CG1-CE3 3.67Å; V252-W257 HydrophobicContact CG1-CZ3 3.51Å; V252-W257 HydrophobicContact CG2-CE3 4.33Å; V252-W257 VanDerWaalsContact O-CH2 3.28Å; V252-W257 WeakPolarHBondContact O-CH2 3.39Å; V252-W257 WeakPolarHBondContact O-CZ3 3.25Å
253	M	94.8	Very high	86.9	Confident	45 Å²	45	71.5 Å²	71.5	22%	0.222	37%	0.371	C	S	.	.	H	α-helix	trans	-58.7	-30.8	-177.1	-70.8	175.5	57.5	0	0	114	V56 D57 W60 I249 E250	V56-M253 HydrophobicContact CG2-CE 4.21Å; V56-M253 HydrophobicContact CG2-SD 3.92Å; D57-M253 HydrophobicContact CB-CE 3.37Å; W60-M253 HydrophobicContact CB-CE 4.37Å; W60-M253 HydrophobicContact CB-CG 4.3Å; W60-M253 HydrophobicContact CD2-CG 4.09Å; W60-M253 HydrophobicContact CG-CE 4.44Å; W60-M253 HydrophobicContact CG-CG 3.83Å; W60-M253 PolarHBondContact NE1-O 2.88Å; I249-M253 HydrophobicContact CG2-CG 4.42Å; I249-M253 HydrophobicContact CG2-SD 3.65Å; I249-M253 WeakPolarHBondContact O-CB 3.38Å; I249-M253 VanDerWaalsContact O-CG 3.27Å; I249-M253 WeakPolarHBondContact O-CG 3.47Å; I249-M253 PolarHBondContact O-N 3.09Å; E250-M253 PolarHBondContact O-N 3.29Å
254	H	92.9	Very high	86.3	Confident	144 Å²	144	75.4 Å²	75.4	67%	0.667	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-2.3	175.4	-65.7	152.4	0	0	0	115.5	E250 N251 V252	E250-H254 WeakPolarHBondContact O-CB 3.33Å; E250-H254 VanDerWaalsContact O-CG 3.31Å; E250-H254 PolarHBondContact O-N 3.49Å; E250-H254 PolarHBondContact O-ND1 3.43Å; N251-H254 PolarHBondContact O-N 3.34Å; V252-H254 PolarHBondContact O-N 3.47Å; V252-H254 VanDerWaalsContact O-N 3.08Å
255	G	83.7	Confident	85.7	Confident	31 Å²	31	77.3 Å²	77.3	32%	0.32	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.7	9.1	178.3	0	0	0	0	0	115.7	N251 V252 W257	N251-G255 PolarHBondContact O-N 3.19Å; V252-G255 PolarHBondContact O-N 3.05Å; G255-W257 VanDerWaalsContact CA-CZ2 3.41Å; G255-W257 PolarHBondContact O-N 3.14Å; G255-W257 PolarHBondContact O-NE1 3.24Å
256	N	76	Confident	84.9	Confident	112 Å²	112	82.1 Å²	82.1	60%	0.599	42%	0.423	S	S	*	.			trans	-96	76.8	-179.4	-66.7	-15.6	0	0	0	110.3	N251	N251-N256 HydrophobicContact CB-CB 4.38Å; N251-N256 WeakPolarHBondContact O-CA 3.14Å; N251-N256 WeakPolarHBondContact O-CB 3.49Å; N251-N256 PolarHBondContact O-N 3.16Å
257	W	68.3	Low	84	Confident	80 Å²	80	82.8 Å²	82.8	30%	0.303	43%	0.431	S	S	.	.			trans	-102.6	127.2	175.5	13.1	72.6	0	0	0	111.2	W60 V102 V252 G255	W60-W257 AromaticContact CH2-CH2 3.48Å; W60-W257 HydrophobicContact CH2-CH2 3.48Å; W60-W257 VanDerWaalsContact CH2-CH2 3.48Å; W60-W257 AromaticContact CH2-CZ3 3.32Å; W60-W257 HydrophobicContact CH2-CZ3 3.32Å; W60-W257 AromaticContact CZ2-CH2 3.52Å; W60-W257 HydrophobicContact CZ2-CH2 3.52Å; W60-W257 AromaticContact CZ2-CZ3 3.65Å; W60-W257 HydrophobicContact CZ2-CZ3 3.65Å; W60-W257 HydrophobicContact CZ3-CZ3 4.43Å; V102-W257 HydrophobicContact CG2-CE3 4.41Å; V102-W257 HydrophobicContact CG2-CZ3 4.48Å; V252-W257 VanDerWaalsContact C-CZ3 3.49Å; V252-W257 HydrophobicContact CB-CE3 4.07Å; V252-W257 HydrophobicContact CB-CZ3 4.19Å; V252-W257 HydrophobicContact CG1-CE3 3.67Å; V252-W257 HydrophobicContact CG1-CZ3 3.51Å; V252-W257 HydrophobicContact CG2-CE3 4.33Å; V252-W257 VanDerWaalsContact O-CH2 3.28Å; V252-W257 WeakPolarHBondContact O-CH2 3.39Å; V252-W257 WeakPolarHBondContact O-CZ3 3.25Å; G255-W257 VanDerWaalsContact CA-CZ2 3.41Å; G255-W257 PolarHBondContact O-N 3.14Å; G255-W257 PolarHBondContact O-NE1 3.24Å
258	T	52.6	Low	83	Confident	129 Å²	129	80.6 Å²	80.6	79%	0.791	42%	0.418	S	S	*	.			trans	-76.7	125.5	157.9	42.7	0	0	0	0	108.8
259	I	47	Very low	81.8	Confident	224 Å²	224	84.5 Å²	84.5	100%	1.149	44%	0.444	S	S	*	.			trans	-73.6	0	175	-56.2	173.9	0	0	0	109.4

Retrieved 259 of 259 residues in 44.4 ms (Link to these results)

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