A0A096MYU6_PAPAN Loading...

Deoxyribonuclease-2-beta

Hydrolyzes DNA under acidic conditions. Does not require divalent cations for activity. Participates in the degradation of nuclear DNA during lens cell differentiation.

AlphaFold DB , UniProt , Accession A0A096MYU6, Species PAPAN (Papio anubis, Olive baboon), Gene DNASE2B, Length 361 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.1	Very low	37.8	Very low	230 Å²	230	182.6 Å²	182.6	100%	1.133	87%	0.87	S	S	*	*				0	118.1	0	-154	179.8	-77.6	0	0	107.3
2	K	36.4	Very low	38.1	Very low	184 Å²	184	177.7 Å²	177.7	80%	0.8	86%	0.86	S	S	*	*			trans	50.4	113.2	158.7	-66.5	177.5	178.3	175.8	0	119.6
3	Q	38	Very low	38.6	Very low	155 Å²	155	173.1 Å²	173.1	72%	0.724	86%	0.858	S	S	*	*				69	133.1	85.2	-102.2	-178	-15.5	0	0	112.6
4	K	37.7	Very low	38.9	Very low	161 Å²	161	175.1 Å²	175.1	70%	0.7	86%	0.86	S	S	*	*				-176.1	130	50.5	-117.1	163.8	-177.4	-172.9	0	108
5	M	36.2	Very low	39.2	Very low	173 Å²	173	169.3 Å²	169.3	85%	0.852	85%	0.851	S	S	*	*				91.2	109.2	93.5	-106.6	175.5	150.7	0	0	115.6
6	M	40.5	Very low	39.6	Very low	189 Å²	189	168 Å²	168	93%	0.931	85%	0.846	S	S	*	*			trans	-90	145.8	150.7	-76.9	-166	133.5	0	0	109.4
7	A	36.8	Very low	39.9	Very low	105 Å²	105	165.1 Å²	165.1	87%	0.868	84%	0.838	S	S	*	*			trans	-122.7	122.9	167.4	0	0	0	0	0	110.4
8	R	36.9	Very low	40.2	Very low	238 Å²	238	166.4 Å²	166.4	90%	0.898	84%	0.838	S	S	*	*			trans	-90.8	158.1	176.6	-89.4	175.8	167.6	179.4	-4.1	110.9
9	L	38.5	Very low	40.6	Very low	174 Å²	174	165.5 Å²	165.5	91%	0.911	84%	0.835	S	S	*	*			trans	-43	131.5	172.2	-77.5	84.3	0	0	0	113.8
10	L	37.2	Very low	40.7	Very low	165 Å²	165	160.1 Å²	160.1	86%	0.864	82%	0.823	S	S	*	*			trans	-81.9	115.5	163.7	-104	81.5	0	0	0	109.9
11	R	40.7	Very low	40.8	Very low	235 Å²	235	160.7 Å²	160.7	89%	0.887	83%	0.826	S	S	*	*			trans	-93.3	118.1	154.9	-94.2	-179.2	172.1	178.1	-2.6	107.5	S13	R11-S13 PolarHBondContact O-N 3.47Å
12	T	41.4	Very low	41.2	Very low	123 Å²	123	159.2 Å²	159.2	76%	0.755	81%	0.814	S	S	*	*			trans	-78.7	111.5	171.9	42.4	0	0	0	0	109.8
13	S	44.5	Very low	41.5	Very low	118 Å²	118	153 Å²	153	83%	0.825	80%	0.802	S	S	*	*			trans	-90.2	115.2	167.8	-62.3	0	0	0	0	109.1	R11 A15	R11-S13 PolarHBondContact O-N 3.47Å; S13-A15 PolarHBondContact O-N 3.26Å
14	F	42.8	Very low	41.6	Very low	202 Å²	202	152.3 Å²	152.3	89%	0.886	81%	0.808	S	S	*	*			trans	-77	111.8	168.1	-106.8	-95.9	0	0	0	108.9
15	A	43.9	Very low	41.8	Very low	88 Å²	88	153 Å²	153	73%	0.727	82%	0.819	S	S	*	*			trans	-83.6	111.4	168.7	0	0	0	0	0	109	S13 V17	S13-A15 PolarHBondContact O-N 3.26Å; A15-V17 PolarHBondContact O-N 3.44Å
16	L	45.1	Very low	42.3	Very low	148 Å²	148	147.4 Å²	147.4	78%	0.775	81%	0.806	S	S	*	*			trans	-72.9	104.5	169.4	-88.8	149.2	0	0	0	109.1	F18	L16-F18 PolarHBondContact O-N 3.04Å
17	V	44.8	Very low	43	Very low	118 Å²	118	144.4 Å²	144.4	72%	0.715	80%	0.798	S	S	*	*			trans	-76.8	96.4	166	178.4	0	0	0	0	107.6	A15 L19	A15-V17 PolarHBondContact O-N 3.44Å; V17-L19 VanDerWaalsContact C-N 3.32Å; V17-L19 HydrophobicContact CG1-CD1 4.06Å; V17-L19 HydrophobicContact CG1-CG 4.41Å; V17-L19 PolarHBondContact O-N 3.19Å
18	F	45.1	Very low	44.1	Very low	190 Å²	190	143.3 Å²	143.3	83%	0.833	79%	0.789	S	S	*	*			trans	-71.3	91.2	164	-95.1	-88.7	0	0	0	108.4	L16 G20	L16-F18 PolarHBondContact O-N 3.04Å; F18-G20 PolarHBondContact O-N 3.04Å
19	L	47.3	Very low	46.5	Very low	149 Å²	149	134.9 Å²	134.9	78%	0.78	76%	0.764	S	S	*	*			trans	-67.4	98.9	161	-100.6	129.4	0	0	0	107.6	V17 L21	V17-L19 VanDerWaalsContact C-N 3.32Å; V17-L19 HydrophobicContact CG1-CD1 4.06Å; V17-L19 HydrophobicContact CG1-CG 4.41Å; V17-L19 PolarHBondContact O-N 3.19Å; L19-L21 PolarHBondContact O-N 3.03Å
20	G	42.9	Very low	49.3	Very low	57 Å²	57	127.2 Å²	127.2	59%	0.588	72%	0.724	S	S	*	*			trans	-60.1	105.5	167.6	0	0	0	0	0	109.4	F18 F22	F18-G20 PolarHBondContact O-N 3.04Å; G20-F22 PolarHBondContact O-N 2.88Å
21	L	43.1	Very low	52.2	Low	172 Å²	172	119.4 Å²	119.4	90%	0.901	68%	0.683	S	S	*	*			trans	-66	83.6	154.4	-90.8	105.7	0	0	0	107.1	L19 G23	L19-L21 PolarHBondContact O-N 3.03Å; L21-G23 PolarHBondContact O-N 3.13Å
22	F	45	Very low	55	Low	199 Å²	199	108.2 Å²	108.2	87%	0.873	64%	0.641	S	S	*	*			trans	-65.6	89.7	151.3	-85.7	-85.7	0	0	0	105.8	G20 V24	G20-F22 PolarHBondContact O-N 2.88Å; F22-V24 PolarHBondContact O-N 2.9Å; F22-V24 VanDerWaalsContact O-N 3.13Å
23	G	42.1	Very low	57.7	Low	54 Å²	54	104.3 Å²	104.3	56%	0.557	61%	0.612	S	S	*	*			trans	-50.6	122.4	165	0	0	0	0	0	106.9	L21 L25	L21-G23 PolarHBondContact O-N 3.13Å; G23-L25 PolarHBondContact O-N 2.68Å
24	V	41.5	Very low	60.2	Low	140 Å²	140	99 Å²	99	85%	0.848	57%	0.574	S	S	*	*			trans	-48.2	112.3	165.3	178	0	0	0	0	105.1	F22 G26	F22-V24 PolarHBondContact O-N 2.9Å; F22-V24 VanDerWaalsContact O-N 3.13Å; V24-G26 PolarHBondContact O-N 2.89Å
25	L	41.7	Very low	62.8	Low	176 Å²	176	90.5 Å²	90.5	92%	0.921	54%	0.538	S	S	*	.			trans	-62.8	79.6	169.7	-94	146.2	0	0	0	105.9	G23 T27	G23-L25 PolarHBondContact O-N 2.68Å; L25-T27 PolarHBondContact O-N 3.23Å
26	G	45.8	Very low	65.4	Low	56 Å²	56	92.1 Å²	92.1	58%	0.577	53%	0.53	S	S	*	.			trans	-56.4	126	170.3	0	0	0	0	0	106	V24 A28	V24-G26 PolarHBondContact O-N 2.89Å; G26-A28 PolarHBondContact O-N 2.95Å; G26-A28 VanDerWaalsContact O-N 3.09Å
27	T	54.7	Low	67.8	Low	125 Å²	125	86.4 Å²	86.4	77%	0.767	51%	0.507	S	S	*	.			trans	-50	123.2	173	48.5	0	0	0	0	107.7	L25 T29	L25-T27 PolarHBondContact O-N 3.23Å; T27-T29 PolarHBondContact O-N 3.09Å
28	A	61.3	Low	70.3	Confident	82 Å²	82	87.5 Å²	87.5	68%	0.678	50%	0.502	S	S	*	.			trans	-57	114.7	-177.9	0	0	0	0	0	108.3	G26 I30	G26-A28 PolarHBondContact O-N 2.95Å; G26-A28 VanDerWaalsContact O-N 3.09Å; A28-I30 PolarHBondContact O-N 3.33Å
29	T	87.3	Confident	72.8	Confident	61 Å²	61	81 Å²	81	37%	0.374	48%	0.483	S	S	.	.			trans	-68.7	133	-175.4	53.2	0	0	0	0	110	T27 S31 R33 Q137	T27-T29 PolarHBondContact O-N 3.09Å; T29-S31 PolarHBondContact O-N 2.71Å; T29-R33 PolarHBondContact O-NH2 3.43Å; T29-Q137 PolarHBondContact OG1-NE2 3.45Å
30	I	97.2	Very high	75.3	Confident	13 Å²	13	74.1 Å²	74.1	7%	0.067	45%	0.447	C	S	.	.			trans	-60.1	122.6	179.1	-61.6	166.2	0	0	0	109.5	A28 T105 L132 N134 Q137 F139	A28-I30 PolarHBondContact O-N 3.33Å; I30-T105 HydrophobicContact CD1-CG2 3.79Å; I30-L132 HydrophobicContact CD1-CG 4.23Å; I30-L132 HydrophobicContact CG2-CB 4.33Å; I30-L132 HydrophobicContact CG2-CD2 3.82Å; I30-L132 HydrophobicContact CG2-CG 3.91Å; I30-L132 WeakPolarHBondContact CG2-O 3.07Å; I30-N134 HydrophobicContact CD1-CB 3.89Å; I30-Q137 WeakPolarHBondContact O-CG 3.17Å; I30-Q137 PolarHBondContact O-NE2 3.23Å; I30-F139 HydrophobicContact CG2-CD1 3.74Å; I30-F139 HydrophobicContact CG2-CE1 4.04Å
31	S	98.3	Very high	77.9	Confident	2 Å²	2	71.7 Å²	71.7	1%	0.014	42%	0.421	C	S	.	.			trans	-153.2	166.2	-178.8	71.4	0	0	0	0	112.2	T29 A39 Q93	T29-S31 PolarHBondContact O-N 2.71Å; S31-A39 WeakPolarHBondContact OG-CB 3.34Å; S31-Q93 PolarHBondContact O-NE2 3.17Å
32	C	98.7	Very high	80.6	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	142.2	159.1	-59	0	0	0	0	110	A39 V40 F43 C171 I172 T173	C32-A39 WeakPolarHBondContact O-CA 3.08Å; C32-V40 HydrophobicContact CB-CG2 4.03Å; C32-V40 PolarHBondContact O-N 3.14Å; C32-F43 HydrophobicContact CB-CD1 3.71Å; C32-F43 HydrophobicContact CB-CE1 3.73Å; C32-C171 VanDerWaalsContact CA-SG 3.58Å; C32-C171 HydrophobicContact CB-CB 3.97Å; C32-C171 WeakPolarHBondContact CB-SG 3.43Å; C32-C171 WeakPolarHBondContact SG-CB 3.48Å; C32-C171 PolarHBondContact SG-O 2.89Å; C32-C171 CovalentContact SG-SG 2.04Å; C32-C171 PolarHBondContact SG-SG 2.87Å; C32-I172 PolarHBondContact SG-N 2.86Å; C32-T173 PolarHBondContact N-OG1 3.01Å; C32-T173 PolarHBondContact SG-N 2.95Å
33	R	98.2	Very high	83.1	Confident	40 Å²	40	54.2 Å²	54.2	15%	0.151	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.7	179.6	-58.9	-66.6	176.7	169.7	-5.7	109.8	T29 G37 K38 V86 R89 T90 Q93	T29-R33 PolarHBondContact O-NH2 3.43Å; R33-G37 WeakPolarHBondContact CD-O 3.48Å; R33-K38 CarbonylContact C-O 3.52Å; R33-K38 VanDerWaalsContact CA-O 3.31Å; R33-K38 WeakPolarHBondContact CA-O 3.4Å; R33-V86 WeakPolarHBondContact O-CG2 3.43Å; R33-R89 HydrophobicContact CB-CB 4.09Å; R33-T90 PolarHBondContact N-OG1 2.96Å; R33-T90 VanDerWaalsContact N-OG1 3.12Å; R33-T90 PolarHBondContact O-OG1 3.32Å; R33-Q93 VanDerWaalsContact NE-OE1 3.16Å
34	N	98	Very high	85.8	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.032	31%	0.311	C	S	.	.			trans	-82.9	-176.6	176.9	76.5	-4.4	0	0	0	113.2	E36 G37 K38 V40 Y65 D67 R89	N34-E36 PolarHBondContact ND2-OE2 2.81Å; N34-E36 PolarHBondContact O-N 3.14Å; N34-E36 PolarHBondContact OD1-N 3.04Å; N34-E36 VanDerWaalsContact OD1-N 3.1Å; N34-E36 PolarHBondContact OD1-OE2 3.16Å; N34-G37 PolarHBondContact O-N 3.2Å; N34-G37 PolarHBondContact OD1-N 3.17Å; N34-G37 VanDerWaalsContact OD1-N 3.11Å; N34-K38 PolarHBondContact N-O 2.92Å; N34-K38 WeakPolarHBondContact OD1-CB 3.35Å; N34-K38 PolarHBondContact OD1-N 2.81Å; N34-K38 PolarHBondContact OD1-O 2.84Å; N34-V40 HydrophobicContact CB-CG1 3.74Å; N34-V40 HydrophobicContact CB-CG2 4.21Å; N34-Y65 WeakPolarHBondContact CA-OH 3.32Å; N34-Y65 HydrophobicContact CB-CE1 4.48Å; N34-Y65 WeakPolarHBondContact CB-OH 3.03Å; N34-D67 WeakPolarHBondContact CB-OD2 3.27Å; N34-R89 VanDerWaalsContact O-CD 3.29Å; N34-R89 WeakPolarHBondContact O-CD 3.26Å
35	E	97.6	Very high	88.5	Confident	25 Å²	25	45 Å²	45	12%	0.117	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-26.2	-179.8	-67.9	-75.3	116.3	0	0	113.4	Y63 Y65 S76 V86 R89	E35-Y63 VanDerWaalsContact CD-OH 3.29Å; E35-Y63 VanDerWaalsContact OE1-CE2 3.28Å; E35-Y63 WeakPolarHBondContact OE1-CE2 3.38Å; E35-Y63 PolarHBondContact OE1-OH 3.05Å; E35-Y63 PolarHBondContact OE2-OH 2.8Å; E35-Y65 HydrophobicContact CG-CD1 3.53Å; E35-Y65 HydrophobicContact CG-CD2 4.21Å; E35-Y65 HydrophobicContact CG-CE1 3.69Å; E35-Y65 HydrophobicContact CG-CE2 4.36Å; E35-Y65 HydrophobicContact CG-CG 3.79Å; E35-S76 VanDerWaalsContact OE2-CB 3.31Å; E35-S76 WeakPolarHBondContact OE2-CB 3.2Å; E35-S76 PolarHBondContact OE2-OG 2.92Å; E35-V86 WeakPolarHBondContact OE1-CB 3.2Å; E35-V86 PolarHBondContact OE1-N 2.96Å; E35-R89 VanDerWaalsContact O-CZ 3.28Å; E35-R89 PolarHBondContact O-NE 2.58Å; E35-R89 PolarHBondContact O-NH2 3.36Å
36	E	97.1	Very high	91.2	Very high	122 Å²	122	36.7 Å²	36.7	57%	0.57	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	0.2	174.1	-56.3	78.8	-149.8	0	0	113.6	N34 K38	N34-E36 PolarHBondContact ND2-OE2 2.81Å; N34-E36 PolarHBondContact O-N 3.14Å; N34-E36 PolarHBondContact OD1-N 3.04Å; N34-E36 VanDerWaalsContact OD1-N 3.1Å; N34-E36 PolarHBondContact OD1-OE2 3.16Å; E36-K38 VanDerWaalsContact C-N 3.34Å; E36-K38 HydrophobicContact CB-CG 4.46Å
37	G	96.4	Very high	93.7	Very high	27 Å²	27	34 Å²	34	28%	0.278	20%	0.2	S	C	.	.	S	Bend	trans	80.5	9.3	-177.3	0	0	0	0	0	114.9	R33 N34	R33-G37 WeakPolarHBondContact CD-O 3.48Å; N34-G37 PolarHBondContact O-N 3.2Å; N34-G37 PolarHBondContact OD1-N 3.17Å; N34-G37 VanDerWaalsContact OD1-N 3.11Å
38	K	97.3	Very high	95.7	Very high	141 Å²	141	28.7 Å²	28.7	61%	0.613	17%	0.166	S	C	*	.			trans	-80.1	150	175.8	-62.3	-179.9	-179.3	175.9	0	110.7	R33 N34 E36	R33-K38 CarbonylContact C-O 3.52Å; R33-K38 VanDerWaalsContact CA-O 3.31Å; R33-K38 WeakPolarHBondContact CA-O 3.4Å; N34-K38 PolarHBondContact N-O 2.92Å; N34-K38 WeakPolarHBondContact OD1-CB 3.35Å; N34-K38 PolarHBondContact OD1-N 2.81Å; N34-K38 PolarHBondContact OD1-O 2.84Å; E36-K38 VanDerWaalsContact C-N 3.34Å; E36-K38 HydrophobicContact CB-CG 4.46Å
39	A	97.9	Very high	97.2	Very high	54 Å²	54	25 Å²	25	45%	0.446	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	133.9	175.7	0	0	0	0	0	110.9	S31 C32	S31-A39 WeakPolarHBondContact OG-CB 3.34Å; C32-A39 WeakPolarHBondContact O-CA 3.08Å
40	V	98.3	Very high	97.4	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.024	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	155.4	175.3	-69.6	0	0	0	0	111	C32 N34 F43 D67 T69 T173	C32-V40 HydrophobicContact CB-CG2 4.03Å; C32-V40 PolarHBondContact O-N 3.14Å; N34-V40 HydrophobicContact CB-CG1 3.74Å; N34-V40 HydrophobicContact CB-CG2 4.21Å; V40-F43 HydrophobicContact CG2-CD1 4.21Å; V40-D67 HydrophobicContact CG1-CB 4.48Å; V40-D67 HydrophobicContact CG2-CB 4.46Å; V40-T69 HydrophobicContact CG1-CG2 4.06Å; V40-T173 PolarHBondContact O-OG1 3.48Å
41	D	98.6	Very high	96.6	Very high	6 Å²	6	30 Å²	30	3%	0.032	15%	0.149	C	C	.	.	S	Bend	trans	-70.3	-38.6	-177.7	-169.7	50.1	0	0	0	111.7	S68 T173 S231 A232 Q233	D41-S68 PolarHBondContact N-OG 2.92Å; D41-T173 WeakPolarHBondContact O-CB 3.17Å; D41-T173 PolarHBondContact O-N 2.02Å; D41-S231 VanDerWaalsContact OD1-CB 3.26Å; D41-S231 WeakPolarHBondContact OD1-CB 3.35Å; D41-S231 PolarHBondContact OD1-OG 3Å; D41-S231 WeakPolarHBondContact OD2-CB 3.45Å; D41-S231 PolarHBondContact OD2-OG 3.39Å; D41-A232 PolarHBondContact OD1-N 3.21Å; D41-Q233 HydrophobicContact CB-CB 4.05Å; D41-Q233 HydrophobicContact CB-CG 3.85Å; D41-Q233 WeakPolarHBondContact OD1-CB 3.18Å; D41-Q233 PolarHBondContact OD1-N 2.95Å
42	W	98.8	Very high	95	Very high	5 Å²	5	37.4 Å²	37.4	2%	0.019	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	158.4	172.5	54.8	-94.5	0	0	0	109.8	L66 D67 S68 C171 I172 Q235 F237 N343 I346	W42-L66 HydrophobicContact CH2-CD2 4.49Å; W42-L66 HydrophobicContact CH2-CG 4.27Å; W42-L66 HydrophobicContact CZ3-CD2 4.42Å; W42-L66 HydrophobicContact CZ3-CG 4.09Å; W42-D67 VanDerWaalsContact CH2-C 3.47Å; W42-D67 VanDerWaalsContact CH2-O 3.32Å; W42-D67 WeakPolarHBondContact CH2-O 3.5Å; W42-D67 VanDerWaalsContact CZ3-C 3.48Å; W42-D67 WeakPolarHBondContact O-CA 3.46Å; W42-D67 WeakPolarHBondContact O-CB 3.45Å; W42-S68 PolarHBondContact O-N 3.24Å; W42-C171 CarbonylContact C-O 3.52Å; W42-C171 WeakPolarHBondContact CA-O 3.2Å; W42-C171 VanDerWaalsContact CB-O 3.27Å; W42-C171 WeakPolarHBondContact CB-O 3.49Å; W42-I172 HydrophobicContact CB-CB 4.49Å; W42-I172 HydrophobicContact CB-CG1 4.16Å; W42-I172 HydrophobicContact CB-CG2 4.49Å; W42-Q235 VanDerWaalsContact NE1-NE2 3.18Å; W42-F237 HydrophobicContact CB-CZ 4.5Å; W42-F237 HydrophobicContact CG-CZ 4.3Å; W42-N343 WeakPolarHBondContact CZ2-ND2 3.18Å; W42-I346 HydrophobicContact CD2-CD1 4.11Å; W42-I346 HydrophobicContact CE3-CD1 3.72Å; W42-I346 HydrophobicContact CE3-CG1 4.27Å; W42-I346 HydrophobicContact CH2-CD1 3.64Å; W42-I346 HydrophobicContact CH2-CG1 3.42Å; W42-I346 VanDerWaalsContact CH2-CG1 3.42Å; W42-I346 HydrophobicContact CZ2-CD1 3.99Å; W42-I346 HydrophobicContact CZ2-CG1 4.12Å; W42-I346 HydrophobicContact CZ3-CD1 3.48Å; W42-I346 VanDerWaalsContact CZ3-CD1 3.48Å; W42-I346 HydrophobicContact CZ3-CG1 3.51Å
43	F	98.9	Very high	93.2	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156.9	161.6	68.9	-104.2	0	0	0	110.7	C32 V40 F45 Y65 L66 D67 V86 L87 T90 L141 I170 C171	C32-F43 HydrophobicContact CB-CD1 3.71Å; C32-F43 HydrophobicContact CB-CE1 3.73Å; V40-F43 HydrophobicContact CG2-CD1 4.21Å; F43-F45 HydrophobicContact CD2-CD1 4.4Å; F43-F45 AromaticContact CE2-CD1 3.98Å; F43-F45 HydrophobicContact CE2-CD1 3.98Å; F43-Y65 HydrophobicContact CB-CE2 3.56Å; F43-Y65 HydrophobicContact CD2-CE2 4.04Å; F43-Y65 AromaticContact CG-CE2 3.83Å; F43-Y65 HydrophobicContact CG-CE2 3.83Å; F43-L66 CarbonylContact C-O 3.45Å; F43-L66 VanDerWaalsContact CA-O 3.25Å; F43-L66 WeakPolarHBondContact CA-O 3.41Å; F43-L66 WeakPolarHBondContact CB-O 3.3Å; F43-D67 HydrophobicContact CB-CB 3.81Å; F43-V86 HydrophobicContact CD1-CG2 3.64Å; F43-V86 HydrophobicContact CD2-CG1 4.44Å; F43-V86 HydrophobicContact CD2-CG2 3.64Å; F43-V86 HydrophobicContact CE1-CG2 3.47Å; F43-V86 VanDerWaalsContact CE1-CG2 3.47Å; F43-V86 HydrophobicContact CE2-CB 4.38Å; F43-V86 HydrophobicContact CE2-CG1 4.01Å; F43-V86 HydrophobicContact CE2-CG2 3.48Å; F43-V86 VanDerWaalsContact CE2-CG2 3.48Å; F43-V86 HydrophobicContact CG-CG2 3.74Å; F43-V86 HydrophobicContact CZ-CB 4.47Å; F43-V86 HydrophobicContact CZ-CG1 4.44Å; F43-V86 HydrophobicContact CZ-CG2 3.4Å; F43-L87 HydrophobicContact CE2-CD2 4.35Å; F43-L87 HydrophobicContact CZ-CD2 4.38Å; F43-T90 HydrophobicContact CE1-CG2 4.39Å; F43-T90 VanDerWaalsContact CE1-OG1 3.29Å; F43-T90 WeakPolarHBondContact CE1-OG1 3.29Å; F43-L141 HydrophobicContact CE2-CD1 4.48Å; F43-L141 HydrophobicContact CZ-CD1 4.46Å; F43-I170 CarbonylContact O-C 3.57Å; F43-I170 VanDerWaalsContact O-CA 3.32Å; F43-I170 WeakPolarHBondContact O-CA 3.4Å; F43-I170 WeakPolarHBondContact O-CG1 3.5Å; F43-C171 HydrophobicContact CD1-CB 3.75Å; F43-C171 HydrophobicContact CD2-CB 4.12Å; F43-C171 HydrophobicContact CE1-CB 3.27Å; F43-C171 HydrophobicContact CE2-CB 3.69Å; F43-C171 HydrophobicContact CG-CB 4.14Å; F43-C171 HydrophobicContact CZ-CB 3.24Å; F43-C171 PolarHBondContact N-O 3.48Å; F43-C171 PolarHBondContact O-N 2.77Å
44	T	98.8	Very high	90.9	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.7	167.3	-177.7	0	0	0	0	109.7	L66 W73 G169 F350	T44-L66 HydrophobicContact CG2-CB 3.92Å; T44-L66 HydrophobicContact CG2-CD2 4.11Å; T44-L66 HydrophobicContact CG2-CG 4.31Å; T44-L66 PolarHBondContact N-O 3.18Å; T44-L66 PolarHBondContact O-N 3.3Å; T44-L66 VanDerWaalsContact O-O 3.11Å; T44-W73 HydrophobicContact CG2-CH2 3.61Å; T44-W73 HydrophobicContact CG2-CZ2 4.47Å; T44-W73 HydrophobicContact CG2-CZ3 3.96Å; T44-G169 VanDerWaalsContact CA-O 3.28Å; T44-G169 WeakPolarHBondContact CA-O 3.04Å; T44-G169 WeakPolarHBondContact CB-O 3.49Å; T44-G169 PolarHBondContact OG1-O 3.4Å; T44-F350 HydrophobicContact CG2-CE2 4.14Å
45	F	98.6	Very high	88.9	Confident	1 Å²	1	60.8 Å²	60.8	0%	0.004	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155.2	177.1	69.3	-87.2	0	0	0	110.8	F43 Y63 L64 M80 V86 L87 L141 H143 I145 S168 G169	F43-F45 HydrophobicContact CD2-CD1 4.4Å; F43-F45 AromaticContact CE2-CD1 3.98Å; F43-F45 HydrophobicContact CE2-CD1 3.98Å; F45-Y63 HydrophobicContact CB-CD2 4.24Å; F45-L64 CarbonylContact C-O 3.47Å; F45-L64 WeakPolarHBondContact CA-O 3.3Å; F45-M80 HydrophobicContact CB-CE 4.45Å; F45-M80 HydrophobicContact CD2-CE 3.37Å; F45-M80 HydrophobicContact CD2-SD 4.49Å; F45-M80 HydrophobicContact CE2-CE 3.85Å; F45-M80 HydrophobicContact CG-CE 4.09Å; F45-V86 HydrophobicContact CB-CG1 4.48Å; F45-L87 HydrophobicContact CD1-CD2 4.24Å; F45-L87 HydrophobicContact CE1-CD1 4.32Å; F45-L87 HydrophobicContact CE1-CD2 3.74Å; F45-L87 HydrophobicContact CE1-CG 4.35Å; F45-L87 HydrophobicContact CE2-CD1 4.37Å; F45-L87 HydrophobicContact CZ-CD1 3.99Å; F45-L87 HydrophobicContact CZ-CD2 4.23Å; F45-L141 HydrophobicContact CE1-CD1 4.27Å; F45-H143 HydrophobicContact CZ-CB 4.22Å; F45-I145 HydrophobicContact CE2-CD1 4.41Å; F45-I145 HydrophobicContact CZ-CD1 4.04Å; F45-S168 WeakPolarHBondContact O-CA 3.36Å; F45-G169 VanDerWaalsContact CE1-CA 3.43Å; F45-G169 PolarHBondContact N-O 3.26Å; F45-G169 VanDerWaalsContact N-O 3.11Å; F45-G169 PolarHBondContact O-N 3.05Å
46	Y	98.4	Very high	87.1	Confident	1 Å²	1	61.8 Å²	61.8	0%	0.004	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	100.2	173.4	-149.9	-58	0	0	0	109.8	Y63 L64 Q167 F299 D304 A306 W308 F350 L353	Y46-Y63 CarbonylContact O-C 3.54Å; Y46-Y63 WeakPolarHBondContact O-CA 3.37Å; Y46-Y63 WeakPolarHBondContact O-CB 3.3Å; Y46-L64 PolarHBondContact N-O 3.47Å; Y46-L64 PolarHBondContact O-N 2.84Å; Y46-Q167 CarbonylContact C-O 3.29Å; Y46-Q167 WeakPolarHBondContact CA-O 3.47Å; Y46-F299 AromaticContact CE1-CZ 3.89Å; Y46-F299 HydrophobicContact CE1-CZ 3.89Å; Y46-D304 WeakPolarHBondContact CE1-OD2 3.2Å; Y46-D304 VanDerWaalsContact CZ-OD2 3.31Å; Y46-D304 PolarHBondContact OH-OD2 3.31Å; Y46-A306 HydrophobicContact CE1-CB 4.11Å; Y46-A306 HydrophobicContact CE2-CB 4.27Å; Y46-W308 HydrophobicContact CE2-CZ2 4.44Å; Y46-W308 AromaticContact CE2-NE1 3.38Å; Y46-W308 AromaticContact CZ-NE1 3.71Å; Y46-W308 PolarHBondContact OH-NE1 3.13Å; Y46-W308 VanDerWaalsContact OH-NE1 3.09Å; Y46-F350 HydrophobicContact CD2-CE1 4.15Å; Y46-F350 HydrophobicContact CE2-CE1 4.22Å; Y46-L353 HydrophobicContact CD2-CD1 3.54Å; Y46-L353 HydrophobicContact CE2-CD1 3.6Å; Y46-L353 HydrophobicContact CG-CD1 4.42Å
47	K	97.8	Very high	85.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	131.4	174.3	-170.1	-150.9	71.9	75.9	0	110.1	G60 E62 M80 Y158 G162 R163 N165 G166 Q167	K47-G60 WeakPolarHBondContact CD-O 3.44Å; K47-G60 PolarHBondContact NZ-O 3Å; K47-E62 WeakPolarHBondContact CA-O 3.26Å; K47-M80 HydrophobicContact CB-CE 3.84Å; K47-M80 HydrophobicContact CG-CE 4.24Å; K47-Y158 HydrophobicContact CD-CE1 4.13Å; K47-Y158 HydrophobicContact CD-CE2 4.47Å; K47-Y158 WeakPolarHBondContact CD-OH 3.4Å; K47-Y158 WeakPolarHBondContact CE-OH 3.21Å; K47-G162 WeakPolarHBondContact CE-O 3.36Å; K47-G162 PolarHBondContact NZ-O 3.2Å; K47-G162 VanDerWaalsContact NZ-O 3.1Å; K47-R163 PolarHBondContact NZ-O 2.82Å; K47-N165 WeakPolarHBondContact CE-O 3.03Å; K47-N165 PolarHBondContact NZ-O 3.01Å; K47-G166 CarbonylContact O-C 3.52Å; K47-G166 WeakPolarHBondContact O-CA 3.2Å; K47-Q167 HydrophobicContact CB-CB 4.38Å; K47-Q167 PolarHBondContact N-O 2.72Å; K47-Q167 PolarHBondContact O-N 2.03Å
48	L	95.6	Very high	84.7	Confident	13 Å²	13	59.9 Å²	59.9	7%	0.068	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-82.3	144.6	-176.3	-55.6	-177.7	0	0	0	111.3	E62 L64 L293 F299	L48-E62 HydrophobicContact CD1-CB 4.41Å; L48-E62 PolarHBondContact N-O 3.01Å; L48-L64 HydrophobicContact CD2-CG 4.36Å; L48-L293 HydrophobicContact CD1-CD1 4.2Å; L48-L293 HydrophobicContact CD2-CD1 4.06Å; L48-L293 HydrophobicContact CD2-CD2 3.53Å; L48-L293 HydrophobicContact CD2-CG 4.45Å; L48-F299 HydrophobicContact CD2-CE1 4.34Å
49	P	94.1	Very high	84.3	Confident	4 Å²	4	55.4 Å²	55.4	3%	0.026	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-65.5	151.8	174.9	26.5	-32.7	0	0	0	111.5	R51 R164 F299 Q303	P49-R51 PolarHBondContact O-N 3.42Å; P49-R164 WeakPolarHBondContact CB-O 3.32Å; P49-F299 HydrophobicContact CG-CB 3.99Å; P49-F299 HydrophobicContact CG-CD1 3.73Å; P49-F299 HydrophobicContact CG-CD2 3.82Å; P49-F299 HydrophobicContact CG-CE1 4.12Å; P49-F299 HydrophobicContact CG-CE2 4.22Å; P49-F299 HydrophobicContact CG-CG 3.56Å; P49-F299 HydrophobicContact CG-CZ 4.35Å; P49-Q303 HydrophobicContact CB-CB 4.4Å
50	K	90.9	Very high	84.1	Confident	112 Å²	112	52.8 Å²	52.8	49%	0.487	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-67.6	120.6	171.2	-173	175.9	-178.5	179.8	0	109.8	R163 R164	K50-R163 WeakPolarHBondContact CB-O 3.33Å; K50-R163 PolarHBondContact N-O 3.3Å; K50-R163 VanDerWaalsContact N-O 3.13Å; K50-R164 PolarHBondContact N-O 2.77Å
51	R	79.7	Confident	84	Confident	66 Å²	66	52.8 Å²	52.8	25%	0.249	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-73.5	142.3	173.5	-73.3	-171.4	173.3	169.6	-17.7	111.7	P49 E58 S297 Y298	P49-R51 PolarHBondContact O-N 3.42Å; R51-E58 WeakPolarHBondContact CD-OE2 3.48Å; R51-E58 WeakPolarHBondContact CG-OE2 3.17Å; R51-E58 IonicContact CZ-OE1 3.33Å; R51-E58 IonicContact NE-OE1 2.7Å; R51-E58 IonicContact NE-OE2 3.53Å; R51-E58 PolarHBondContact NE-OE2 3.4Å; R51-E58 IonicContact NH1-OE1 2.71Å; R51-E58 PolarHBondContact NH1-OE1 2.77Å; R51-S297 VanDerWaalsContact CZ-OG 3.28Å; R51-S297 PolarHBondContact NH1-OG 3.23Å; R51-S297 PolarHBondContact NH2-OG 3.28Å; R51-Y298 PolarHBondContact NH2-O 3.39Å
52	Q	64.9	Low	83.9	Confident	158 Å²	158	53.6 Å²	53.6	74%	0.738	27%	0.273	S	S	*	.	S	Bend	trans	-81.9	-16	-178.6	-65.1	-169.7	3.9	0	0	113	K54	Q52-K54 PolarHBondContact O-N 3Å
53	N	61.2	Low	83.9	Confident	127 Å²	127	53.3 Å²	53.3	68%	0.679	27%	0.272	S	S	*	.			trans	-76	113.9	178	-73.2	0.6	0	0	0	110.2	E55 S56	N53-E55 PolarHBondContact O-N 3.27Å; N53-S56 PolarHBondContact O-N 3.47Å; N53-S56 VanDerWaalsContact O-N 3.15Å; N53-S56 PolarHBondContact O-OG 3.31Å
54	K	50.5	Low	83.8	Confident	213 Å²	213	54.4 Å²	54.4	93%	0.926	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.4	-174.1	-70.1	-177.6	176.6	179.1	0	114.6	Q52	Q52-K54 PolarHBondContact O-N 3Å
55	E	56.1	Low	83.8	Confident	197 Å²	197	54.9 Å²	54.9	92%	0.921	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-19.3	-178.9	-65.5	178.9	174.7	0	0	113.9	N53 G57	N53-E55 PolarHBondContact O-N 3.27Å; E55-G57 VanDerWaalsContact C-N 3.35Å; E55-G57 PolarHBondContact O-N 3.1Å
56	S	60.2	Low	83.8	Confident	47 Å²	47	54.8 Å²	54.8	33%	0.329	28%	0.28	S	S	.	.	S	Bend	trans	-77.4	-12.6	-168.3	59.4	0	0	0	0	115.3	N53 E58	N53-S56 PolarHBondContact O-N 3.47Å; N53-S56 VanDerWaalsContact O-N 3.15Å; N53-S56 PolarHBondContact O-OG 3.31Å; S56-E58 PolarHBondContact O-N 2.91Å
57	G	66.2	Low	83.8	Confident	66 Å²	66	54.9 Å²	54.9	68%	0.68	28%	0.28	S	S	*	.			trans	61.8	-1.2	-177.1	0	0	0	0	0	115.2	E55 T59	E55-G57 VanDerWaalsContact C-N 3.35Å; E55-G57 PolarHBondContact O-N 3.1Å; G57-T59 PolarHBondContact O-N 2.83Å
58	E	75.8	Confident	83.8	Confident	43 Å²	43	56.7 Å²	56.7	20%	0.201	29%	0.293	C	S	.	.			trans	-72	121.6	-175.6	-69	177.8	-158	0	0	110.8	R51 S56	R51-E58 WeakPolarHBondContact CD-OE2 3.48Å; R51-E58 WeakPolarHBondContact CG-OE2 3.17Å; R51-E58 IonicContact CZ-OE1 3.33Å; R51-E58 IonicContact NE-OE1 2.7Å; R51-E58 IonicContact NE-OE2 3.53Å; R51-E58 PolarHBondContact NE-OE2 3.4Å; R51-E58 IonicContact NH1-OE1 2.71Å; R51-E58 PolarHBondContact NH1-OE1 2.77Å; S56-E58 PolarHBondContact O-N 2.91Å
59	T	90	Very high	83.8	Confident	46 Å²	46	60.9 Å²	60.9	28%	0.282	32%	0.319	S	S	.	.			trans	-84.4	-17.9	-174	61.1	0	0	0	0	112.8	G57 L61 E62	G57-T59 PolarHBondContact O-N 2.83Å; T59-L61 VanDerWaalsContact C-N 3.33Å; T59-L61 WeakPolarHBondContact OG1-CB 3.3Å; T59-L61 PolarHBondContact OG1-N 2.93Å; T59-E62 PolarHBondContact N-OE1 3.16Å; T59-E62 PolarHBondContact N-OE2 3.42Å; T59-E62 VanDerWaalsContact OG1-CD 3.3Å; T59-E62 PolarHBondContact OG1-OE1 2.96Å; T59-E62 PolarHBondContact OG1-OE2 3.01Å
60	G	93.6	Very high	83.8	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.322	C	S	.	.	S	Bend	trans	79	20	-169.4	0	0	0	0	0	112.5	K47 E62 R163	K47-G60 WeakPolarHBondContact CD-O 3.44Å; K47-G60 PolarHBondContact NZ-O 3Å; G60-E62 PolarHBondContact N-OE2 3.37Å; G60-R163 WeakPolarHBondContact CA-O 3.02Å; G60-R163 WeakPolarHBondContact O-CA 3.38Å
61	L	96.1	Very high	83.8	Confident	4 Å²	4	65.2 Å²	65.2	2%	0.021	33%	0.333	C	S	.	.			trans	-118.7	-7	177.7	-63.3	166.4	0	0	0	112.1	T59 L79 M80 N81 Y158 R163	T59-L61 VanDerWaalsContact C-N 3.33Å; T59-L61 WeakPolarHBondContact OG1-CB 3.3Å; T59-L61 PolarHBondContact OG1-N 2.93Å; L61-L79 HydrophobicContact CB-CB 4Å; L61-L79 HydrophobicContact CB-CD2 4.17Å; L61-L79 HydrophobicContact CB-CG 4.5Å; L61-M80 HydrophobicContact CD2-CB 4.48Å; L61-M80 WeakPolarHBondContact O-CB 3.44Å; L61-M80 PolarHBondContact O-N 3.01Å; L61-N81 HydrophobicContact CD1-CB 4.17Å; L61-N81 HydrophobicContact CD2-CB 4.06Å; L61-Y158 HydrophobicContact CD2-CD1 3.5Å; L61-Y158 VanDerWaalsContact CD2-CD1 3.5Å; L61-Y158 HydrophobicContact CD2-CE1 3.77Å; L61-Y158 HydrophobicContact CD2-CG 4.36Å; L61-R163 HydrophobicContact CD2-CG 3.79Å; L61-R163 HydrophobicContact CG-CG 4.09Å
62	E	96.1	Very high	84.5	Confident	22 Å²	22	65.3 Å²	65.3	10%	0.103	34%	0.344	C	S	.	.			trans	-66.5	143.7	173	-57.2	74.9	-166.9	0	0	109.5	K47 L48 T59 G60 L79	K47-E62 WeakPolarHBondContact CA-O 3.26Å; L48-E62 HydrophobicContact CD1-CB 4.41Å; L48-E62 PolarHBondContact N-O 3.01Å; T59-E62 PolarHBondContact N-OE1 3.16Å; T59-E62 PolarHBondContact N-OE2 3.42Å; T59-E62 VanDerWaalsContact OG1-CD 3.3Å; T59-E62 PolarHBondContact OG1-OE1 2.96Å; T59-E62 PolarHBondContact OG1-OE2 3.01Å; G60-E62 PolarHBondContact N-OE2 3.37Å; E62-L79 HydrophobicContact CG-CD2 4.15Å
63	Y	97.8	Very high	86	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	153.2	-179.8	63.2	-82.6	0	0	0	113.4	E35 F45 Y46 S76 Q78 M80 S85 V86	E35-Y63 VanDerWaalsContact CD-OH 3.29Å; E35-Y63 VanDerWaalsContact OE1-CE2 3.28Å; E35-Y63 WeakPolarHBondContact OE1-CE2 3.38Å; E35-Y63 PolarHBondContact OE1-OH 3.05Å; E35-Y63 PolarHBondContact OE2-OH 2.8Å; F45-Y63 HydrophobicContact CB-CD2 4.24Å; Y46-Y63 CarbonylContact O-C 3.54Å; Y46-Y63 WeakPolarHBondContact O-CA 3.37Å; Y46-Y63 WeakPolarHBondContact O-CB 3.3Å; Y63-S76 VanDerWaalsContact CE2-CB 3.41Å; Y63-S76 PolarHBondContact O-N 3.29Å; Y63-S76 PolarHBondContact OH-OG 2.52Å; Y63-S76 VanDerWaalsContact OH-OG 3.07Å; Y63-Q78 VanDerWaalsContact CE1-O 3.22Å; Y63-Q78 WeakPolarHBondContact CE1-O 3.4Å; Y63-M80 VanDerWaalsContact CB-CE 3.44Å; Y63-M80 HydrophobicContact CD1-CB 4.17Å; Y63-M80 HydrophobicContact CD1-CE 3.59Å; Y63-M80 HydrophobicContact CD1-SD 4.03Å; Y63-M80 HydrophobicContact CD2-CE 3.85Å; Y63-M80 HydrophobicContact CE1-CB 4.44Å; Y63-M80 HydrophobicContact CE1-CE 4.24Å; Y63-M80 HydrophobicContact CE1-SD 4.12Å; Y63-M80 HydrophobicContact CE2-CE 4.47Å; Y63-M80 HydrophobicContact CG-CE 3.35Å; Y63-M80 HydrophobicContact CG-SD 4.28Å; Y63-S85 WeakPolarHBondContact OH-CA 3.43Å; Y63-V86 HydrophobicContact CE2-CB 4.49Å; Y63-V86 HydrophobicContact CE2-CG1 3.88Å; Y63-V86 PolarHBondContact OH-N 3.13Å; Y63-V86 VanDerWaalsContact OH-N 3.16Å
64	L	97.9	Very high	87.7	Confident	23 Å²	23	60.6 Å²	60.6	12%	0.12	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	145.6	165.2	-53.2	179.4	0	0	0	109.1	F45 Y46 L48 W73 R74 K75 L293 L353	F45-L64 CarbonylContact C-O 3.47Å; F45-L64 WeakPolarHBondContact CA-O 3.3Å; Y46-L64 PolarHBondContact N-O 3.47Å; Y46-L64 PolarHBondContact O-N 2.84Å; L48-L64 HydrophobicContact CD2-CG 4.36Å; L64-W73 HydrophobicContact CB-CB 4.43Å; L64-W73 HydrophobicContact CB-CD2 3.89Å; L64-W73 HydrophobicContact CB-CE3 3.55Å; L64-W73 HydrophobicContact CB-CG 4.28Å; L64-W73 HydrophobicContact CB-CZ3 4.09Å; L64-W73 HydrophobicContact CD1-CB 4.45Å; L64-W73 HydrophobicContact CD1-CD2 4.29Å; L64-W73 HydrophobicContact CD1-CG 4.14Å; L64-R74 CarbonylContact C-O 3.55Å; L64-R74 VanDerWaalsContact CA-O 3.31Å; L64-R74 WeakPolarHBondContact CA-O 3.5Å; L64-K75 HydrophobicContact CD2-CB 4.41Å; L64-L293 HydrophobicContact CD1-CD2 4.32Å; L64-L353 HydrophobicContact CD1-CD2 4Å
65	Y	98.4	Very high	89.8	Confident	9 Å²	9	57 Å²	57	4%	0.035	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	140.4	-177.1	179	-104.6	0	0	0	111	N34 E35 F43 D67 W73 R74 V86	N34-Y65 WeakPolarHBondContact CA-OH 3.32Å; N34-Y65 HydrophobicContact CB-CE1 4.48Å; N34-Y65 WeakPolarHBondContact CB-OH 3.03Å; E35-Y65 HydrophobicContact CG-CD1 3.53Å; E35-Y65 HydrophobicContact CG-CD2 4.21Å; E35-Y65 HydrophobicContact CG-CE1 3.69Å; E35-Y65 HydrophobicContact CG-CE2 4.36Å; E35-Y65 HydrophobicContact CG-CG 3.79Å; F43-Y65 HydrophobicContact CB-CE2 3.56Å; F43-Y65 HydrophobicContact CD2-CE2 4.04Å; F43-Y65 AromaticContact CG-CE2 3.83Å; F43-Y65 HydrophobicContact CG-CE2 3.83Å; Y65-D67 HydrophobicContact CE1-CB 3.94Å; Y65-D67 WeakPolarHBondContact CE1-OD2 3.1Å; Y65-D67 WeakPolarHBondContact OH-CB 3.43Å; Y65-D67 PolarHBondContact OH-OD2 2.88Å; Y65-D67 VanDerWaalsContact OH-OD2 3.05Å; Y65-W73 VanDerWaalsContact C-CE3 3.5Å; Y65-R74 PolarHBondContact N-O 3.27Å; Y65-R74 PolarHBondContact O-N 3.48Å; Y65-V86 HydrophobicContact CD2-CB 4.22Å; Y65-V86 HydrophobicContact CD2-CG1 4.33Å; Y65-V86 HydrophobicContact CD2-CG2 4.13Å; Y65-V86 HydrophobicContact CE2-CB 4.01Å; Y65-V86 HydrophobicContact CE2-CG1 4.46Å; Y65-V86 HydrophobicContact CE2-CG2 3.45Å; Y65-V86 VanDerWaalsContact CE2-CG2 3.45Å
66	L	98.5	Very high	91.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	138.3	173.7	172.6	69.4	0	0	0	108.9	W42 F43 T44 W73 I346 A349	W42-L66 HydrophobicContact CH2-CD2 4.49Å; W42-L66 HydrophobicContact CH2-CG 4.27Å; W42-L66 HydrophobicContact CZ3-CD2 4.42Å; W42-L66 HydrophobicContact CZ3-CG 4.09Å; F43-L66 CarbonylContact C-O 3.45Å; F43-L66 VanDerWaalsContact CA-O 3.25Å; F43-L66 WeakPolarHBondContact CA-O 3.41Å; F43-L66 WeakPolarHBondContact CB-O 3.3Å; T44-L66 HydrophobicContact CG2-CB 3.92Å; T44-L66 HydrophobicContact CG2-CD2 4.11Å; T44-L66 HydrophobicContact CG2-CG 4.31Å; T44-L66 PolarHBondContact N-O 3.18Å; T44-L66 PolarHBondContact O-N 3.3Å; T44-L66 VanDerWaalsContact O-O 3.11Å; L66-W73 HydrophobicContact CB-CD2 4.41Å; L66-W73 HydrophobicContact CB-CE3 3.68Å; L66-W73 HydrophobicContact CB-CH2 4.49Å; L66-W73 HydrophobicContact CB-CZ3 3.73Å; L66-I346 HydrophobicContact CD2-CB 4.5Å; L66-I346 HydrophobicContact CD2-CG1 4.07Å; L66-A349 HydrophobicContact CD2-CB 3.66Å
67	D	98.6	Very high	93.5	Very high	2 Å²	2	55 Å²	55	1%	0.011	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	178.8	178.9	69.5	19.8	0	0	0	113.2	N34 V40 W42 F43 Y65 T69 T70	N34-D67 WeakPolarHBondContact CB-OD2 3.27Å; V40-D67 HydrophobicContact CG1-CB 4.48Å; V40-D67 HydrophobicContact CG2-CB 4.46Å; W42-D67 VanDerWaalsContact CH2-C 3.47Å; W42-D67 VanDerWaalsContact CH2-O 3.32Å; W42-D67 WeakPolarHBondContact CH2-O 3.5Å; W42-D67 VanDerWaalsContact CZ3-C 3.48Å; W42-D67 WeakPolarHBondContact O-CA 3.46Å; W42-D67 WeakPolarHBondContact O-CB 3.45Å; F43-D67 HydrophobicContact CB-CB 3.81Å; Y65-D67 HydrophobicContact CE1-CB 3.94Å; Y65-D67 WeakPolarHBondContact CE1-OD2 3.1Å; Y65-D67 WeakPolarHBondContact OH-CB 3.43Å; Y65-D67 PolarHBondContact OH-OD2 2.88Å; Y65-D67 VanDerWaalsContact OH-OD2 3.05Å; D67-T69 PolarHBondContact O-N 2.83Å; D67-T69 WeakPolarHBondContact OD1-CA 3.41Å; D67-T69 PolarHBondContact OD1-N 2.93Å; D67-T69 PolarHBondContact OD1-OG1 3.48Å; D67-T69 PolarHBondContact OD2-OG1 3.32Å; D67-T70 PolarHBondContact N-OG1 2.83Å; D67-T70 PolarHBondContact O-N 3.17Å; D67-T70 PolarHBondContact O-OG1 2.93Å; D67-T70 WeakPolarHBondContact OD1-CB 3.08Å; D67-T70 WeakPolarHBondContact OD1-CG2 3.37Å; D67-T70 PolarHBondContact OD1-N 3.02Å; D67-T70 PolarHBondContact OD1-OG1 2.79Å
68	S	97.6	Very high	95	Very high	39 Å²	39	54.3 Å²	54.3	27%	0.273	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-9.9	179.1	65.6	0	0	0	0	115	D41 W42	D41-S68 PolarHBondContact N-OG 2.92Å; W42-S68 PolarHBondContact O-N 3.24Å
69	T	96.3	Very high	96	Very high	100 Å²	100	55.2 Å²	55.2	61%	0.613	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-11.9	-178.5	73.4	0	0	0	0	113	V40 D67	V40-T69 HydrophobicContact CG1-CG2 4.06Å; D67-T69 PolarHBondContact O-N 2.83Å; D67-T69 WeakPolarHBondContact OD1-CA 3.41Å; D67-T69 PolarHBondContact OD1-N 2.93Å; D67-T69 PolarHBondContact OD1-OG1 3.48Å; D67-T69 PolarHBondContact OD2-OG1 3.32Å
70	T	93.7	Very high	96.4	Very high	15 Å²	15	53 Å²	53	9%	0.092	25%	0.253	C	S	.	.			trans	-110.6	156.4	-177.3	50	0	0	0	0	110.9	D67	D67-T70 PolarHBondContact N-OG1 2.83Å; D67-T70 PolarHBondContact O-N 3.17Å; D67-T70 PolarHBondContact O-OG1 2.93Å; D67-T70 WeakPolarHBondContact OD1-CB 3.08Å; D67-T70 WeakPolarHBondContact OD1-CG2 3.37Å; D67-T70 PolarHBondContact OD1-N 3.02Å; D67-T70 PolarHBondContact OD1-OG1 2.79Å
71	R	91	Very high	96.6	Very high	193 Å²	193	55.5 Å²	55.5	73%	0.728	27%	0.266	S	S	*	.	S	Bend	trans	-104.1	-15.4	-170.9	-64.3	-175.9	-179.6	179.6	0.1	114.5	H345	R71-H345 PolarHBondContact O-ND1 3.2Å
72	S	95	Very high	96.7	Very high	68 Å²	68	57.3 Å²	57.3	48%	0.476	28%	0.278	S	S	.	.	S	Bend	trans	-156.3	163.1	-173.6	65	0	0	0	0	110.9	R74	S72-R74 PolarHBondContact O-N 2.89Å
73	W	96.1	Very high	96.7	Very high	40 Å²	40	60.4 Å²	60.4	15%	0.152	30%	0.298	C	S	.	.			trans	-50.6	136.4	170.2	-73.5	129	0	0	0	111.6	T44 L64 Y65 L66 A349 F350 L353	T44-W73 HydrophobicContact CG2-CH2 3.61Å; T44-W73 HydrophobicContact CG2-CZ2 4.47Å; T44-W73 HydrophobicContact CG2-CZ3 3.96Å; L64-W73 HydrophobicContact CB-CB 4.43Å; L64-W73 HydrophobicContact CB-CD2 3.89Å; L64-W73 HydrophobicContact CB-CE3 3.55Å; L64-W73 HydrophobicContact CB-CG 4.28Å; L64-W73 HydrophobicContact CB-CZ3 4.09Å; L64-W73 HydrophobicContact CD1-CB 4.45Å; L64-W73 HydrophobicContact CD1-CD2 4.29Å; L64-W73 HydrophobicContact CD1-CG 4.14Å; Y65-W73 VanDerWaalsContact C-CE3 3.5Å; L66-W73 HydrophobicContact CB-CD2 4.41Å; L66-W73 HydrophobicContact CB-CE3 3.68Å; L66-W73 HydrophobicContact CB-CH2 4.49Å; L66-W73 HydrophobicContact CB-CZ3 3.73Å; W73-A349 VanDerWaalsContact CD1-O 3.24Å; W73-A349 HydrophobicContact CD2-CB 4.09Å; W73-A349 HydrophobicContact CG-CB 4Å; W73-A349 HydrophobicContact CZ2-CB 4.36Å; W73-A349 PolarHBondContact NE1-O 2.74Å; W73-F350 AromaticContact CH2-CE2 3.91Å; W73-F350 HydrophobicContact CH2-CE2 3.91Å; W73-F350 HydrophobicContact CH2-CZ 4.11Å; W73-F350 AromaticContact CZ2-CD2 3.86Å; W73-F350 HydrophobicContact CZ2-CD2 3.86Å; W73-F350 HydrophobicContact CZ2-CE1 4.39Å; W73-F350 AromaticContact CZ2-CE2 3.51Å; W73-F350 HydrophobicContact CZ2-CE2 3.51Å; W73-F350 HydrophobicContact CZ2-CG 4.45Å; W73-F350 AromaticContact CZ2-CZ 3.82Å; W73-F350 HydrophobicContact CZ2-CZ 3.82Å; W73-L353 HydrophobicContact CZ2-CD1 4.24Å
74	R	95.4	Very high	96.8	Very high	146 Å²	146	66.2 Å²	66.2	55%	0.551	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.3	140.8	166.8	-63.3	-179.3	177.4	-174.5	-1.6	108.5	L64 Y65 S72 S76	L64-R74 CarbonylContact C-O 3.55Å; L64-R74 VanDerWaalsContact CA-O 3.31Å; L64-R74 WeakPolarHBondContact CA-O 3.5Å; Y65-R74 PolarHBondContact N-O 3.27Å; Y65-R74 PolarHBondContact O-N 3.48Å; S72-R74 PolarHBondContact O-N 2.89Å; R74-S76 PolarHBondContact O-N 3.28Å
75	K	95.7	Very high	96.8	Very high	136 Å²	136	65.1 Å²	65.1	59%	0.591	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.5	168.8	-171.5	176.7	179.3	-179.3	0	107.6	L64	L64-K75 HydrophobicContact CD2-CB 4.41Å
76	S	96.9	Very high	96.8	Very high	16 Å²	16	64.7 Å²	64.7	11%	0.112	32%	0.316	C	S	.	.			trans	-67.9	146.8	174.9	175	0	0	0	0	110.8	E35 Y63 R74 Q78	E35-S76 VanDerWaalsContact OE2-CB 3.31Å; E35-S76 WeakPolarHBondContact OE2-CB 3.2Å; E35-S76 PolarHBondContact OE2-OG 2.92Å; Y63-S76 VanDerWaalsContact CE2-CB 3.41Å; Y63-S76 PolarHBondContact O-N 3.29Å; Y63-S76 PolarHBondContact OH-OG 2.52Å; Y63-S76 VanDerWaalsContact OH-OG 3.07Å; R74-S76 PolarHBondContact O-N 3.28Å; S76-Q78 VanDerWaalsContact C-N 3.3Å; S76-Q78 PolarHBondContact OG-N 3.09Å; S76-Q78 PolarHBondContact OG-O 2.76Å
77	E	96.7	Very high	96.8	Very high	186 Å²	186	64.7 Å²	64.7	87%	0.869	32%	0.316	S	S	*	.	S	Bend	trans	-81.6	-12.8	168.6	-62.1	-178.7	175.6	0	0	112.3
78	Q	97.8	Very high	96.8	Very high	53 Å²	53	64.7 Å²	64.7	25%	0.248	32%	0.316	C	S	.	.	S	Bend	trans	-97.1	156	178.2	-54.6	-58.4	-46.7	0	0	110.7	Y63 S76 K84	Y63-Q78 VanDerWaalsContact CE1-O 3.22Å; Y63-Q78 WeakPolarHBondContact CE1-O 3.4Å; S76-Q78 VanDerWaalsContact C-N 3.3Å; S76-Q78 PolarHBondContact OG-N 3.09Å; S76-Q78 PolarHBondContact OG-O 2.76Å; Q78-K84 HydrophobicContact CG-CB 4.25Å
79	L	97.4	Very high	96.8	Very high	61 Å²	61	66.2 Å²	66.2	32%	0.319	32%	0.316	S	S	.	.			trans	-94.3	144.3	168.3	-61.4	-178.8	0	0	0	109.9	L61 E62 N81 T82 S85	L61-L79 HydrophobicContact CB-CB 4Å; L61-L79 HydrophobicContact CB-CD2 4.17Å; L61-L79 HydrophobicContact CB-CG 4.5Å; E62-L79 HydrophobicContact CG-CD2 4.15Å; L79-N81 WeakPolarHBondContact CB-OD1 3.4Å; L79-N81 PolarHBondContact O-N 3.27Å; L79-T82 HydrophobicContact CB-CG2 4.19Å; L79-T82 PolarHBondContact O-N 2.89Å; L79-T82 PolarHBondContact O-OG1 3.22Å; L79-S85 WeakPolarHBondContact O-CB 3.43Å
80	M	97.9	Very high	96.9	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.4	-175.3	-161.1	67.8	80.7	0	0	113.4	F45 K47 L61 Y63 T82 S85 L87 Y156 Y158	F45-M80 HydrophobicContact CB-CE 4.45Å; F45-M80 HydrophobicContact CD2-CE 3.37Å; F45-M80 HydrophobicContact CD2-SD 4.49Å; F45-M80 HydrophobicContact CE2-CE 3.85Å; F45-M80 HydrophobicContact CG-CE 4.09Å; K47-M80 HydrophobicContact CB-CE 3.84Å; K47-M80 HydrophobicContact CG-CE 4.24Å; L61-M80 HydrophobicContact CD2-CB 4.48Å; L61-M80 WeakPolarHBondContact O-CB 3.44Å; L61-M80 PolarHBondContact O-N 3.01Å; Y63-M80 VanDerWaalsContact CB-CE 3.44Å; Y63-M80 HydrophobicContact CD1-CB 4.17Å; Y63-M80 HydrophobicContact CD1-CE 3.59Å; Y63-M80 HydrophobicContact CD1-SD 4.03Å; Y63-M80 HydrophobicContact CD2-CE 3.85Å; Y63-M80 HydrophobicContact CE1-CB 4.44Å; Y63-M80 HydrophobicContact CE1-CE 4.24Å; Y63-M80 HydrophobicContact CE1-SD 4.12Å; Y63-M80 HydrophobicContact CE2-CE 4.47Å; Y63-M80 HydrophobicContact CG-CE 3.35Å; Y63-M80 HydrophobicContact CG-SD 4.28Å; M80-T82 VanDerWaalsContact C-N 3.31Å; M80-T82 PolarHBondContact O-N 2.86Å; M80-S85 PolarHBondContact O-OG 3.12Å; M80-L87 HydrophobicContact CG-CD1 4.1Å; M80-L87 HydrophobicContact SD-CB 4.38Å; M80-L87 HydrophobicContact SD-CD1 3.56Å; M80-L87 VanDerWaalsContact SD-CD1 3.56Å; M80-L87 HydrophobicContact SD-CG 3.8Å; M80-Y156 PolarHBondContact O-OH 3.44Å; M80-Y158 HydrophobicContact CB-CD2 4.27Å; M80-Y158 HydrophobicContact CB-CE2 4.41Å; M80-Y158 HydrophobicContact CG-CD2 3.59Å; M80-Y158 HydrophobicContact CG-CE2 3.63Å; M80-Y158 HydrophobicContact CG-CG 4.31Å
81	N	97.5	Very high	97.2	Very high	52 Å²	52	60.9 Å²	60.9	28%	0.278	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-0.4	179.6	72.4	-37.3	0	0	0	114.9	L61 L79	L61-N81 HydrophobicContact CD1-CB 4.17Å; L61-N81 HydrophobicContact CD2-CB 4.06Å; L79-N81 WeakPolarHBondContact CB-OD1 3.4Å; L79-N81 PolarHBondContact O-N 3.27Å
82	T	97.8	Very high	97.5	Very high	43 Å²	43	55.4 Å²	55.4	26%	0.264	27%	0.266	S	S	.	.	S	Bend	trans	-93.4	150.8	179.2	79	0	0	0	0	111.3	L79 M80 K84 S85 Y156	L79-T82 HydrophobicContact CB-CG2 4.19Å; L79-T82 PolarHBondContact O-N 2.89Å; L79-T82 PolarHBondContact O-OG1 3.22Å; M80-T82 VanDerWaalsContact C-N 3.31Å; M80-T82 PolarHBondContact O-N 2.86Å; T82-K84 PolarHBondContact O-N 2.75Å; T82-K84 PolarHBondContact OG1-N 3.33Å; T82-S85 VanDerWaalsContact O-CB 3.29Å; T82-S85 WeakPolarHBondContact O-CB 3.42Å; T82-S85 PolarHBondContact O-N 2.82Å; T82-S85 PolarHBondContact O-OG 2.77Å; T82-S85 PolarHBondContact OG1-N 3.05Å; T82-Y156 VanDerWaalsContact O-CE1 3.23Å; T82-Y156 WeakPolarHBondContact O-CE1 3.4Å
83	T	97.9	Very high	97.6	Very high	86 Å²	86	53.1 Å²	53.1	53%	0.528	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-16.5	171	52.5	0	0	0	0	112.9	G88 R89 Y156	T83-G88 CarbonylContact O-C 3.5Å; T83-G88 VanDerWaalsContact O-C 3.29Å; T83-R89 PolarHBondContact O-N 3.5Å; T83-Y156 HydrophobicContact CG2-CD1 4.23Å
84	K	98.1	Very high	97.7	Very high	123 Å²	123	51.2 Å²	51.2	54%	0.535	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-9.2	175	-65.5	-178	-178.2	178.6	0	113.5	Q78 T82 R89	Q78-K84 HydrophobicContact CG-CB 4.25Å; T82-K84 PolarHBondContact O-N 2.75Å; T82-K84 PolarHBondContact OG1-N 3.33Å; K84-R89 PolarHBondContact O-NE 2.97Å
85	S	98.5	Very high	97.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-64.7	162.3	171.8	68.6	0	0	0	0	111.7	Y63 L79 M80 T82 L87 G88 R89 Y156	Y63-S85 WeakPolarHBondContact OH-CA 3.43Å; L79-S85 WeakPolarHBondContact O-CB 3.43Å; M80-S85 PolarHBondContact O-OG 3.12Å; T82-S85 VanDerWaalsContact O-CB 3.29Å; T82-S85 WeakPolarHBondContact O-CB 3.42Å; T82-S85 PolarHBondContact O-N 2.82Å; T82-S85 PolarHBondContact O-OG 2.77Å; T82-S85 PolarHBondContact OG1-N 3.05Å; S85-L87 PolarHBondContact O-N 3.05Å; S85-G88 PolarHBondContact O-N 3.41Å; S85-G88 VanDerWaalsContact O-N 3.15Å; S85-G88 PolarHBondContact OG-N 3.06Å; S85-R89 WeakPolarHBondContact O-CB 3.2Å; S85-R89 WeakPolarHBondContact O-CG 3.31Å; S85-R89 PolarHBondContact O-N 2.89Å; S85-Y156 PolarHBondContact OG-OH 2.97Å
86	V	98.4	Very high	97.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-54.1	-40.2	175.5	67.4	0	0	0	0	112.7	R33 E35 F43 F45 Y63 Y65 T90	R33-V86 WeakPolarHBondContact O-CG2 3.43Å; E35-V86 WeakPolarHBondContact OE1-CB 3.2Å; E35-V86 PolarHBondContact OE1-N 2.96Å; F43-V86 HydrophobicContact CD1-CG2 3.64Å; F43-V86 HydrophobicContact CD2-CG1 4.44Å; F43-V86 HydrophobicContact CD2-CG2 3.64Å; F43-V86 HydrophobicContact CE1-CG2 3.47Å; F43-V86 VanDerWaalsContact CE1-CG2 3.47Å; F43-V86 HydrophobicContact CE2-CB 4.38Å; F43-V86 HydrophobicContact CE2-CG1 4.01Å; F43-V86 HydrophobicContact CE2-CG2 3.48Å; F43-V86 VanDerWaalsContact CE2-CG2 3.48Å; F43-V86 HydrophobicContact CG-CG2 3.74Å; F43-V86 HydrophobicContact CZ-CB 4.47Å; F43-V86 HydrophobicContact CZ-CG1 4.44Å; F43-V86 HydrophobicContact CZ-CG2 3.4Å; F45-V86 HydrophobicContact CB-CG1 4.48Å; Y63-V86 HydrophobicContact CE2-CB 4.49Å; Y63-V86 HydrophobicContact CE2-CG1 3.88Å; Y63-V86 PolarHBondContact OH-N 3.13Å; Y63-V86 VanDerWaalsContact OH-N 3.16Å; Y65-V86 HydrophobicContact CD2-CB 4.22Å; Y65-V86 HydrophobicContact CD2-CG1 4.33Å; Y65-V86 HydrophobicContact CD2-CG2 4.13Å; Y65-V86 HydrophobicContact CE2-CB 4.01Å; Y65-V86 HydrophobicContact CE2-CG1 4.46Å; Y65-V86 HydrophobicContact CE2-CG2 3.45Å; Y65-V86 VanDerWaalsContact CE2-CG2 3.45Å; V86-T90 VanDerWaalsContact O-CB 3.28Å; V86-T90 WeakPolarHBondContact O-CB 3.4Å; V86-T90 PolarHBondContact O-N 3.5Å; V86-T90 PolarHBondContact O-OG1 3.33Å
87	L	98.7	Very high	97.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-70.3	-46.2	178.1	-67.5	-173.6	0	0	0	110.7	F43 F45 M80 S85 R89 T90 L91 L141 I145 F148 Y156	F43-L87 HydrophobicContact CE2-CD2 4.35Å; F43-L87 HydrophobicContact CZ-CD2 4.38Å; F45-L87 HydrophobicContact CD1-CD2 4.24Å; F45-L87 HydrophobicContact CE1-CD1 4.32Å; F45-L87 HydrophobicContact CE1-CD2 3.74Å; F45-L87 HydrophobicContact CE1-CG 4.35Å; F45-L87 HydrophobicContact CE2-CD1 4.37Å; F45-L87 HydrophobicContact CZ-CD1 3.99Å; F45-L87 HydrophobicContact CZ-CD2 4.23Å; M80-L87 HydrophobicContact CG-CD1 4.1Å; M80-L87 HydrophobicContact SD-CB 4.38Å; M80-L87 HydrophobicContact SD-CD1 3.56Å; M80-L87 VanDerWaalsContact SD-CD1 3.56Å; M80-L87 HydrophobicContact SD-CG 3.8Å; S85-L87 PolarHBondContact O-N 3.05Å; L87-R89 PolarHBondContact O-N 3.41Å; L87-T90 PolarHBondContact O-N 3.36Å; L87-L91 VanDerWaalsContact O-CB 3.28Å; L87-L91 WeakPolarHBondContact O-CB 3.36Å; L87-L91 VanDerWaalsContact O-CG 3.28Å; L87-L91 WeakPolarHBondContact O-CG 3.34Å; L87-L91 PolarHBondContact O-N 2.75Å; L87-L141 HydrophobicContact CD2-CD1 3.99Å; L87-L141 HydrophobicContact CD2-CD2 3.74Å; L87-I145 HydrophobicContact CD1-CD1 3.67Å; L87-F148 HydrophobicContact CB-CZ 4.32Å; L87-F148 HydrophobicContact CD1-CE1 4.17Å; L87-F148 HydrophobicContact CD1-CZ 3.9Å; L87-Y156 HydrophobicContact CB-CE2 4Å; L87-Y156 WeakPolarHBondContact CB-OH 3.49Å
88	G	98.4	Very high	97.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-56.9	-48.3	176.1	0	0	0	0	0	112.7	T83 S85 T90 L91 Q92	T83-G88 CarbonylContact O-C 3.5Å; T83-G88 VanDerWaalsContact O-C 3.29Å; S85-G88 PolarHBondContact O-N 3.41Å; S85-G88 VanDerWaalsContact O-N 3.15Å; S85-G88 PolarHBondContact OG-N 3.06Å; G88-T90 PolarHBondContact O-N 3.16Å; G88-L91 PolarHBondContact O-N 3.34Å; G88-Q92 PolarHBondContact O-N 3.34Å
89	R	98.4	Very high	97.5	Very high	72 Å²	72	40 Å²	40	27%	0.272	21%	0.207	S	C	.	.	H	α-helix	trans	-64.9	-40.1	178.4	-68.2	178.8	-173.1	-81.5	10.9	112.9	R33 N34 E35 T83 K84 S85 L87 Q92	R33-R89 HydrophobicContact CB-CB 4.09Å; N34-R89 VanDerWaalsContact O-CD 3.29Å; N34-R89 WeakPolarHBondContact O-CD 3.26Å; E35-R89 VanDerWaalsContact O-CZ 3.28Å; E35-R89 PolarHBondContact O-NE 2.58Å; E35-R89 PolarHBondContact O-NH2 3.36Å; T83-R89 PolarHBondContact O-N 3.5Å; K84-R89 PolarHBondContact O-NE 2.97Å; S85-R89 WeakPolarHBondContact O-CB 3.2Å; S85-R89 WeakPolarHBondContact O-CG 3.31Å; S85-R89 PolarHBondContact O-N 2.89Å; L87-R89 PolarHBondContact O-N 3.41Å; R89-Q92 WeakPolarHBondContact O-CB 3.23Å
90	T	98.6	Very high	97.3	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.012	22%	0.216	C	C	.	.	H	α-helix	trans	-69	-45.3	179.2	-61.6	0	0	0	0	110.8	R33 F43 V86 L87 G88 Q92 Q93 F139	R33-T90 PolarHBondContact N-OG1 2.96Å; R33-T90 VanDerWaalsContact N-OG1 3.12Å; R33-T90 PolarHBondContact O-OG1 3.32Å; F43-T90 HydrophobicContact CE1-CG2 4.39Å; F43-T90 VanDerWaalsContact CE1-OG1 3.29Å; F43-T90 WeakPolarHBondContact CE1-OG1 3.29Å; V86-T90 VanDerWaalsContact O-CB 3.28Å; V86-T90 WeakPolarHBondContact O-CB 3.4Å; V86-T90 PolarHBondContact O-N 3.5Å; V86-T90 PolarHBondContact O-OG1 3.33Å; L87-T90 PolarHBondContact O-N 3.36Å; G88-T90 PolarHBondContact O-N 3.16Å; T90-Q92 VanDerWaalsContact C-N 3.3Å; T90-Q92 PolarHBondContact O-N 2.7Å; T90-Q93 PolarHBondContact O-N 3.1Å; T90-Q93 PolarHBondContact O-NE2 2.93Å; T90-F139 HydrophobicContact CG2-CD1 4.14Å; T90-F139 HydrophobicContact CG2-CD2 4.22Å; T90-F139 HydrophobicContact CG2-CE1 3.83Å; T90-F139 HydrophobicContact CG2-CE2 3.95Å; T90-F139 HydrophobicContact CG2-CG 4.33Å; T90-F139 HydrophobicContact CG2-CZ 3.75Å
91	L	98.4	Very high	96.8	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-72.9	-18.1	-179.8	-68.1	-172	0	0	0	114.1	L87 G88 Q93 L94 Y95 L130 F139 F148 P149 Y156	L87-L91 VanDerWaalsContact O-CB 3.28Å; L87-L91 WeakPolarHBondContact O-CB 3.36Å; L87-L91 VanDerWaalsContact O-CG 3.28Å; L87-L91 WeakPolarHBondContact O-CG 3.34Å; L87-L91 PolarHBondContact O-N 2.75Å; G88-L91 PolarHBondContact O-N 3.34Å; L91-Q93 PolarHBondContact O-N 3.2Å; L91-Q93 VanDerWaalsContact O-N 3.13Å; L91-L94 HydrophobicContact CD2-CD2 4.39Å; L91-L94 WeakPolarHBondContact O-CA 3.39Å; L91-L94 VanDerWaalsContact O-CB 3.27Å; L91-L94 WeakPolarHBondContact O-CB 3.2Å; L91-L94 PolarHBondContact O-N 3.41Å; L91-Y95 HydrophobicContact CB-CE2 3.83Å; L91-Y95 VanDerWaalsContact O-CD2 3.22Å; L91-Y95 WeakPolarHBondContact O-CD2 3.41Å; L91-Y95 WeakPolarHBondContact O-CE2 3.4Å; L91-Y95 PolarHBondContact O-N 3.11Å; L91-L130 HydrophobicContact CD2-CD1 3.29Å; L91-L130 HydrophobicContact CD2-CD2 3.62Å; L91-L130 HydrophobicContact CD2-CG 4.04Å; L91-F139 HydrophobicContact CD2-CZ 4.43Å; L91-F148 HydrophobicContact CD1-CE1 4.14Å; L91-F148 HydrophobicContact CD1-CE2 4.27Å; L91-F148 HydrophobicContact CD1-CZ 3.52Å; L91-P149 HydrophobicContact CD1-CB 3.84Å; L91-P149 HydrophobicContact CD1-CG 4.28Å; L91-Y156 HydrophobicContact CB-CD2 4.3Å; L91-Y156 HydrophobicContact CD1-CD2 3.94Å; L91-Y156 HydrophobicContact CD1-CE2 3.94Å
92	Q	97.9	Very high	96.4	Very high	79 Å²	79	48.6 Å²	48.6	37%	0.369	25%	0.254	S	S	.	.	H	α-helix	trans	-50.8	-38.9	172.3	-176.2	56.9	33.7	0	0	112.4	G88 R89 T90 L94 Y95 E96	G88-Q92 PolarHBondContact O-N 3.34Å; R89-Q92 WeakPolarHBondContact O-CB 3.23Å; T90-Q92 VanDerWaalsContact C-N 3.3Å; T90-Q92 PolarHBondContact O-N 2.7Å; Q92-L94 VanDerWaalsContact C-N 3.28Å; Q92-L94 PolarHBondContact O-N 2.82Å; Q92-Y95 PolarHBondContact O-N 2.84Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.19Å; Q92-E96 PolarHBondContact NE2-OE1 3.11Å; Q92-E96 WeakPolarHBondContact O-CG 3.39Å; Q92-E96 PolarHBondContact O-N 2.9Å
93	Q	97.8	Very high	96.2	Very high	20 Å²	20	51.9 Å²	51.9	9%	0.093	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-31.2	176.5	-66	165.9	108.7	0	0	113.1	S31 R33 T90 L91 A97 L132	S31-Q93 PolarHBondContact O-NE2 3.17Å; R33-Q93 VanDerWaalsContact NE-OE1 3.16Å; T90-Q93 PolarHBondContact O-N 3.1Å; T90-Q93 PolarHBondContact O-NE2 2.93Å; L91-Q93 PolarHBondContact O-N 3.2Å; L91-Q93 VanDerWaalsContact O-N 3.13Å; Q93-A97 VanDerWaalsContact O-CB 3.23Å; Q93-A97 WeakPolarHBondContact O-CB 3.46Å; Q93-A97 PolarHBondContact O-N 3.06Å; Q93-L132 HydrophobicContact CB-CD2 3.68Å
94	L	97.8	Very high	96	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-68.1	-45.2	176.2	168.1	67.7	0	0	0	110.3	L91 Q92 A97 Y98 Y107 I109 L130 L132 P152	L91-L94 HydrophobicContact CD2-CD2 4.39Å; L91-L94 WeakPolarHBondContact O-CA 3.39Å; L91-L94 VanDerWaalsContact O-CB 3.27Å; L91-L94 WeakPolarHBondContact O-CB 3.2Å; L91-L94 PolarHBondContact O-N 3.41Å; Q92-L94 VanDerWaalsContact C-N 3.28Å; Q92-L94 PolarHBondContact O-N 2.82Å; L94-A97 PolarHBondContact O-N 3.23Å; L94-Y98 WeakPolarHBondContact O-CB 3.27Å; L94-Y98 PolarHBondContact O-N 3.27Å; L94-Y107 HydrophobicContact CD1-CD1 3.88Å; L94-Y107 HydrophobicContact CD1-CD2 3.87Å; L94-Y107 HydrophobicContact CD1-CG 3.48Å; L94-Y107 VanDerWaalsContact CD1-CG 3.48Å; L94-I109 HydrophobicContact CD2-CD1 3.86Å; L94-L130 HydrophobicContact CD2-CD1 3.95Å; L94-L132 HydrophobicContact CB-CD2 4.19Å; L94-L132 HydrophobicContact CD1-CD1 4.06Å; L94-P152 HydrophobicContact CD1-CG 4.31Å; L94-P152 HydrophobicContact CD2-CG 4.34Å; L94-P152 HydrophobicContact CG-CG 4.29Å
95	Y	96.9	Very high	95.9	Very high	25 Å²	25	48.5 Å²	48.5	10%	0.098	26%	0.255	C	S	.	.	H	α-helix	trans	-67	-39.4	-179.6	-51.2	-51.9	0	0	0	111.5	L91 Q92 Y98 A99 P152 G155 Y156	L91-Y95 HydrophobicContact CB-CE2 3.83Å; L91-Y95 VanDerWaalsContact O-CD2 3.22Å; L91-Y95 WeakPolarHBondContact O-CD2 3.41Å; L91-Y95 WeakPolarHBondContact O-CE2 3.4Å; L91-Y95 PolarHBondContact O-N 3.11Å; Q92-Y95 PolarHBondContact O-N 2.84Å; Y95-Y98 PolarHBondContact O-N 3.25Å; Y95-A99 WeakPolarHBondContact O-CB 3.46Å; Y95-A99 PolarHBondContact O-N 3.21Å; Y95-P152 HydrophobicContact CD1-CB 4.27Å; Y95-P152 WeakPolarHBondContact CD1-O 3.49Å; Y95-G155 VanDerWaalsContact CZ-C 3.4Å; Y95-G155 PolarHBondContact OH-O 3.38Å; Y95-Y156 HydrophobicContact CE2-CD2 4.49Å; Y95-Y156 VanDerWaalsContact OH-CA 3.25Å; Y95-Y156 WeakPolarHBondContact OH-CA 3.22Å; Y95-Y156 PolarHBondContact OH-N 3.35Å
96	E	95.4	Very high	95.8	Very high	107 Å²	107	48.5 Å²	48.5	50%	0.5	26%	0.255	S	S	.	.	H	α-helix	trans	-62.9	-45.7	173	-72.4	166.6	-174.7	0	0	111.8	Q92 Y98 A99 S100	Q92-E96 WeakPolarHBondContact CG-OE1 3.19Å; Q92-E96 PolarHBondContact NE2-OE1 3.11Å; Q92-E96 WeakPolarHBondContact O-CG 3.39Å; Q92-E96 PolarHBondContact O-N 2.9Å; E96-Y98 PolarHBondContact O-N 3.26Å; E96-A99 PolarHBondContact O-N 2.76Å; E96-S100 WeakPolarHBondContact O-CB 3.28Å; E96-S100 PolarHBondContact O-N 3.44Å
97	A	94.5	Very high	95.8	Very high	16 Å²	16	49.3 Å²	49.3	13%	0.132	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-45.3	176.3	0	0	0	0	0	111.7	Q93 L94 S100 K101 T105 L132	Q93-A97 VanDerWaalsContact O-CB 3.23Å; Q93-A97 WeakPolarHBondContact O-CB 3.46Å; Q93-A97 PolarHBondContact O-N 3.06Å; L94-A97 PolarHBondContact O-N 3.23Å; A97-S100 PolarHBondContact O-N 2.83Å; A97-S100 PolarHBondContact O-OG 2.7Å; A97-K101 PolarHBondContact O-N 3.25Å; A97-T105 HydrophobicContact CB-CG2 3.68Å; A97-L132 HydrophobicContact CB-CD1 3.91Å
98	Y	95.4	Very high	95.8	Very high	76 Å²	76	49.3 Å²	49.3	30%	0.298	26%	0.259	S	S	.	.	H	α-helix	trans	-59.4	-49.9	176.7	176.6	-92	0	0	0	111.7	L94 Y95 E96 S100 K101 Y107 P152 E153	L94-Y98 WeakPolarHBondContact O-CB 3.27Å; L94-Y98 PolarHBondContact O-N 3.27Å; Y95-Y98 PolarHBondContact O-N 3.25Å; E96-Y98 PolarHBondContact O-N 3.26Å; Y98-S100 VanDerWaalsContact C-N 3.27Å; Y98-S100 PolarHBondContact O-N 3.06Å; Y98-K101 PolarHBondContact O-N 2.97Å; Y98-K101 VanDerWaalsContact O-N 3.16Å; Y98-Y107 AromaticContact CD2-CE1 4Å; Y98-Y107 HydrophobicContact CD2-CE1 4Å; Y98-P152 HydrophobicContact CD1-CB 3.92Å; Y98-P152 HydrophobicContact CD2-CB 3.56Å; Y98-P152 HydrophobicContact CD2-CG 3.98Å; Y98-P152 HydrophobicContact CE2-CB 4.21Å; Y98-P152 HydrophobicContact CG-CB 3.41Å; Y98-P152 VanDerWaalsContact CG-CB 3.41Å; Y98-P152 HydrophobicContact CG-CG 4.27Å; Y98-E153 HydrophobicContact CE1-CG 3.84Å; Y98-E153 HydrophobicContact CE2-CG 4.38Å; Y98-E153 WeakPolarHBondContact CE2-OE1 3.25Å; Y98-E153 WeakPolarHBondContact OH-CG 3.46Å; Y98-E153 PolarHBondContact OH-OE1 2.95Å
99	A	95.4	Very high	95.8	Very high	76 Å²	76	49.3 Å²	49.3	63%	0.628	26%	0.258	S	S	*	.	H	α-helix	trans	-62	-35.2	179.4	0	0	0	0	0	112.5	Y95 E96 K101	Y95-A99 WeakPolarHBondContact O-CB 3.46Å; Y95-A99 PolarHBondContact O-N 3.21Å; E96-A99 PolarHBondContact O-N 2.76Å; A99-K101 VanDerWaalsContact C-N 3.26Å; A99-K101 PolarHBondContact O-N 2.83Å
100	S	92.8	Very high	95.8	Very high	73 Å²	73	45.9 Å²	45.9	51%	0.51	25%	0.245	S	C	.	.	H	α-helix	trans	-68.6	-21.4	178.8	77.9	0	0	0	0	114.1	E96 A97 Y98 S102	E96-S100 WeakPolarHBondContact O-CB 3.28Å; E96-S100 PolarHBondContact O-N 3.44Å; A97-S100 PolarHBondContact O-N 2.83Å; A97-S100 PolarHBondContact O-OG 2.7Å; Y98-S100 VanDerWaalsContact C-N 3.27Å; Y98-S100 PolarHBondContact O-N 3.06Å; S100-S102 PolarHBondContact O-N 3.37Å; S100-S102 VanDerWaalsContact O-N 3.09Å; S100-S102 WeakPolarHBondContact OG-CB 3.28Å; S100-S102 PolarHBondContact OG-N 2.84Å
101	K	89.1	Confident	95.8	Very high	178 Å²	178	45.8 Å²	45.8	77%	0.774	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	32.7	-172.2	-58.5	-177.4	179.7	-179.5	0	113.2	A97 Y98 A99	A97-K101 PolarHBondContact O-N 3.25Å; Y98-K101 PolarHBondContact O-N 2.97Å; Y98-K101 VanDerWaalsContact O-N 3.16Å; A99-K101 VanDerWaalsContact C-N 3.26Å; A99-K101 PolarHBondContact O-N 2.83Å
102	S	89.1	Confident	95.6	Very high	44 Å²	44	45.9 Å²	45.9	31%	0.308	25%	0.245	S	C	.	.			trans	-71.4	131.2	-177.7	-173.9	0	0	0	0	111.6	S100 N104 T105	S100-S102 PolarHBondContact O-N 3.37Å; S100-S102 VanDerWaalsContact O-N 3.09Å; S100-S102 WeakPolarHBondContact OG-CB 3.28Å; S100-S102 PolarHBondContact OG-N 2.84Å; S102-N104 PolarHBondContact O-N 3.09Å; S102-N104 PolarHBondContact OG-N 2.95Å; S102-T105 PolarHBondContact O-N 3.28Å
103	N	92	Very high	95.4	Very high	112 Å²	112	42.3 Å²	42.3	60%	0.599	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-1.7	171.5	-71.7	-23.7	0	0	0	113.7	P199 T201	N103-P199 HydrophobicContact CB-CB 4.36Å; N103-T201 PolarHBondContact O-OG1 3.26Å
104	N	93.3	Very high	95.2	Very high	113 Å²	113	42.8 Å²	42.8	60%	0.604	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-7.3	179.7	-65.8	-22.3	0	0	0	113.1	S102 N134	S102-N104 PolarHBondContact O-N 3.09Å; S102-N104 PolarHBondContact OG-N 2.95Å; N104-N134 WeakPolarHBondContact O-CA 3.26Å; N104-N134 WeakPolarHBondContact O-CB 3.42Å
105	T	96.3	Very high	94.9	Very high	25 Å²	25	43.9 Å²	43.9	15%	0.153	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.5	-179.4	-55.4	0	0	0	0	109.4	I30 A97 S102 L132 W133	I30-T105 HydrophobicContact CD1-CG2 3.79Å; A97-T105 HydrophobicContact CB-CG2 3.68Å; S102-T105 PolarHBondContact O-N 3.28Å; T105-L132 HydrophobicContact CG2-CD1 3.45Å; T105-L132 VanDerWaalsContact CG2-CD1 3.45Å; T105-L132 HydrophobicContact CG2-CG 4.24Å; T105-W133 CarbonylContact C-O 3.53Å; T105-W133 VanDerWaalsContact CA-O 3.3Å; T105-W133 WeakPolarHBondContact CA-O 3.4Å; T105-W133 WeakPolarHBondContact CG2-O 3.36Å
106	A	97.9	Very high	94.4	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.8	174.6	0	0	0	0	0	110	L132 W133 S197 I198 F202	A106-L132 WeakPolarHBondContact O-CA 3.22Å; A106-W133 HydrophobicContact CB-CD2 3.86Å; A106-W133 HydrophobicContact CB-CE3 4.22Å; A106-W133 HydrophobicContact CB-CH2 3.78Å; A106-W133 HydrophobicContact CB-CZ2 3.36Å; A106-W133 HydrophobicContact CB-CZ3 4.18Å; A106-W133 PolarHBondContact N-O 3.38Å; A106-W133 VanDerWaalsContact O-CE3 3.31Å; A106-W133 PolarHBondContact O-N 2.57Å; A106-S197 CarbonylContact C-O 3.57Å; A106-S197 VanDerWaalsContact CA-O 3.24Å; A106-S197 WeakPolarHBondContact CA-O 3.44Å; A106-I198 HydrophobicContact CB-CB 4.5Å; A106-I198 HydrophobicContact CB-CG1 4.49Å; A106-I198 HydrophobicContact CB-CG2 4.25Å; A106-F202 HydrophobicContact CB-CD2 3.88Å; A106-F202 HydrophobicContact CB-CE2 3.72Å; A106-F202 HydrophobicContact CB-CG 4.48Å; A106-F202 HydrophobicContact CB-CZ 4.18Å
107	Y	98.4	Very high	93.7	Very high	17 Å²	17	47.4 Å²	47.4	7%	0.067	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	156.5	172.7	73.7	-95.6	0	0	0	111.9	L94 Y98 I109 L131 P152 C196 S197	L94-Y107 HydrophobicContact CD1-CD1 3.88Å; L94-Y107 HydrophobicContact CD1-CD2 3.87Å; L94-Y107 HydrophobicContact CD1-CG 3.48Å; L94-Y107 VanDerWaalsContact CD1-CG 3.48Å; Y98-Y107 AromaticContact CD2-CE1 4Å; Y98-Y107 HydrophobicContact CD2-CE1 4Å; Y107-I109 HydrophobicContact CD2-CD1 4.26Å; Y107-I109 HydrophobicContact CD2-CG1 3.9Å; Y107-I109 HydrophobicContact CE2-CD1 4.31Å; Y107-I109 HydrophobicContact CE2-CG1 4.27Å; Y107-L131 WeakPolarHBondContact CA-O 3.5Å; Y107-L131 WeakPolarHBondContact CB-O 3.32Å; Y107-P152 HydrophobicContact CE2-CG 3.92Å; Y107-C196 WeakPolarHBondContact O-CA 3.23Å; Y107-S197 PolarHBondContact N-O 2.84Å; Y107-S197 PolarHBondContact O-N 3.47Å
108	L	98.1	Very high	92.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	127.5	176.2	-177	165.2	0	0	0	108.2	Y110 L130 L131 W133 L186 I193 C196 I198 M209	L108-Y110 HydrophobicContact CD2-CD1 3.48Å; L108-Y110 VanDerWaalsContact CD2-CD1 3.48Å; L108-Y110 HydrophobicContact CD2-CE1 4.31Å; L108-Y110 HydrophobicContact CD2-CG 4.28Å; L108-L130 CarbonylContact O-C 3.5Å; L108-L130 WeakPolarHBondContact O-CA 3.26Å; L108-L130 WeakPolarHBondContact O-CB 3.44Å; L108-L131 HydrophobicContact CB-CD1 4.45Å; L108-L131 HydrophobicContact CD2-CD1 4.13Å; L108-L131 PolarHBondContact N-O 3.33Å; L108-L131 PolarHBondContact O-N 2.9Å; L108-W133 HydrophobicContact CB-CH2 4.35Å; L108-W133 HydrophobicContact CB-CZ3 4.2Å; L108-L186 HydrophobicContact CD1-CD1 4.32Å; L108-I193 HydrophobicContact CD1-CD1 3.53Å; L108-I193 HydrophobicContact CD1-CG1 4.4Å; L108-I193 HydrophobicContact CD2-CD1 3.86Å; L108-I193 HydrophobicContact CD2-CG1 3.8Å; L108-I193 HydrophobicContact CD2-CG2 4.42Å; L108-I193 HydrophobicContact CG-CD1 3.74Å; L108-I193 HydrophobicContact CG-CG1 4.12Å; L108-I193 HydrophobicContact CG-CG2 4.18Å; L108-C196 HydrophobicContact CB-CB 4.44Å; L108-C196 HydrophobicContact CG-CB 4.42Å; L108-I198 HydrophobicContact CD1-CD1 4.3Å; L108-M209 HydrophobicContact CD1-CB 3.87Å; L108-M209 HydrophobicContact CD1-CG 3.77Å; L108-M209 HydrophobicContact CD1-SD 4.03Å
109	I	98.6	Very high	91.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	129.2	-179.7	-39.5	-177.6	0	0	0	109.1	L94 Y107 L130 P149 P152 I193 Y194 S195	L94-I109 HydrophobicContact CD2-CD1 3.86Å; Y107-I109 HydrophobicContact CD2-CD1 4.26Å; Y107-I109 HydrophobicContact CD2-CG1 3.9Å; Y107-I109 HydrophobicContact CE2-CD1 4.31Å; Y107-I109 HydrophobicContact CE2-CG1 4.27Å; I109-L130 HydrophobicContact CB-CB 4.4Å; I109-L130 HydrophobicContact CG1-CB 4.35Å; I109-L130 HydrophobicContact CG2-CB 4.05Å; I109-P149 HydrophobicContact CD1-CG 4.47Å; I109-P149 HydrophobicContact CG2-CG 3.68Å; I109-P152 HydrophobicContact CD1-CG 4.03Å; I109-I193 WeakPolarHBondContact O-CA 3.23Å; I109-Y194 HydrophobicContact CB-CE1 4.3Å; I109-Y194 HydrophobicContact CB-CE2 4.35Å; I109-Y194 HydrophobicContact CG2-CE1 3.79Å; I109-Y194 HydrophobicContact CG2-CE2 4.01Å; I109-Y194 WeakPolarHBondContact CG2-OH 3.31Å; I109-Y194 PolarHBondContact O-N 2.98Å; I109-Y194 VanDerWaalsContact O-N 3.17Å; I109-S195 PolarHBondContact N-O 3.21Å
110	Y	98.3	Very high	90.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	142.3	-176.4	63.6	-87.4	0	0	0	113	L108 T127 K128 G129 L131 W140 L186 P191 N192	L108-Y110 HydrophobicContact CD2-CD1 3.48Å; L108-Y110 VanDerWaalsContact CD2-CD1 3.48Å; L108-Y110 HydrophobicContact CD2-CE1 4.31Å; L108-Y110 HydrophobicContact CD2-CG 4.28Å; Y110-T127 HydrophobicContact CD2-CG2 3.86Å; Y110-T127 HydrophobicContact CE2-CG2 3.96Å; Y110-T127 WeakPolarHBondContact CE2-OG1 3.46Å; Y110-K128 VanDerWaalsContact CE2-CA 3.48Å; Y110-K128 WeakPolarHBondContact O-CA 3.18Å; Y110-G129 VanDerWaalsContact CD1-O 3.26Å; Y110-G129 WeakPolarHBondContact CD1-O 3.3Å; Y110-G129 VanDerWaalsContact CZ-CA 3.45Å; Y110-G129 PolarHBondContact N-O 3.22Å; Y110-G129 PolarHBondContact O-N 3.41Å; Y110-G129 VanDerWaalsContact O-O 3.07Å; Y110-L131 HydrophobicContact CD1-CD1 4.39Å; Y110-L131 HydrophobicContact CE1-CD1 3.81Å; Y110-W140 AromaticContact CZ-NE1 3.89Å; Y110-W140 PolarHBondContact OH-NE1 2.52Å; Y110-L186 HydrophobicContact CE1-CD2 4.27Å; Y110-P191 HydrophobicContact CD1-CB 4.45Å; Y110-P191 HydrophobicContact CD2-CB 3.6Å; Y110-P191 HydrophobicContact CE2-CB 4.35Å; Y110-P191 HydrophobicContact CG-CB 3.65Å; Y110-P191 HydrophobicContact CG-CG 4.49Å; Y110-N192 VanDerWaalsContact CA-O 3.24Å; Y110-N192 WeakPolarHBondContact CA-O 3.37Å; Y110-N192 WeakPolarHBondContact CB-O 3.49Å
111	N	97.8	Very high	89.8	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.9	127.9	178.4	-159	-42.5	0	0	0	109.1	G113 V114 K128 I145 F148 N192 Y194	N111-G113 VanDerWaalsContact CG-O 3.28Å; N111-G113 PolarHBondContact O-N 2.89Å; N111-G113 PolarHBondContact OD1-N 2.93Å; N111-G113 PolarHBondContact OD1-O 2.86Å; N111-G113 VanDerWaalsContact OD1-O 3.11Å; N111-V114 WeakPolarHBondContact O-CG2 3.21Å; N111-K128 HydrophobicContact CB-CB 4.39Å; N111-K128 HydrophobicContact CB-CG 4.44Å; N111-K128 VanDerWaalsContact OD1-CD 3.27Å; N111-K128 WeakPolarHBondContact OD1-CD 3.49Å; N111-K128 WeakPolarHBondContact OD1-CE 3.41Å; N111-K128 WeakPolarHBondContact OD1-CG 3.41Å; N111-I145 PolarHBondContact ND2-O 3.36Å; N111-F148 PolarHBondContact ND2-N 3.08Å; N111-F148 PolarHBondContact ND2-O 3.01Å; N111-N192 PolarHBondContact N-O 3.24Å; N111-N192 WeakPolarHBondContact O-CB 3.19Å; N111-N192 PolarHBondContact O-ND2 3.23Å; N111-N192 VanDerWaalsContact O-ND2 3.16Å; N111-Y194 HydrophobicContact CB-CD1 4.25Å; N111-Y194 HydrophobicContact CB-CE1 3.61Å
112	D	94.3	Very high	89.3	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.016	30%	0.299	C	S	.	.	S	Bend	trans	-68.2	-24	174.8	69.7	-45.5	0	0	0	113.2	C120 S121 G125 H126 T127 K128 R334	D112-C120 CarbonylContact O-C 3.48Å; D112-C120 WeakPolarHBondContact O-CA 3.37Å; D112-S121 PolarHBondContact O-N 3.04Å; D112-G125 WeakPolarHBondContact CB-O 3.35Å; D112-H126 IonicContact OD1-ND1 2.81Å; D112-H126 PolarHBondContact OD1-ND1 2.85Å; D112-H126 IonicContact OD2-CE1 3.51Å; D112-H126 IonicContact OD2-CG 3.27Å; D112-H126 IonicContact OD2-ND1 2.77Å; D112-H126 PolarHBondContact OD2-ND1 2.87Å; D112-T127 PolarHBondContact N-O 3.24Å; D112-K128 WeakPolarHBondContact OD1-CE 3.46Å; D112-K128 IonicContact OD1-NZ 3.23Å; D112-K128 PolarHBondContact OD1-NZ 2.94Å; D112-R334 IonicContact OD2-CZ 3.43Å; D112-R334 VanDerWaalsContact OD2-CZ 3.32Å; D112-R334 IonicContact OD2-NH1 2.79Å; D112-R334 PolarHBondContact OD2-NH1 2.95Å; D112-R334 IonicContact OD2-NH2 3.13Å; D112-R334 PolarHBondContact OD2-NH2 2.95Å
113	G	93.7	Very high	89.2	Confident	3 Å²	3	61.5 Å²	61.5	3%	0.031	32%	0.316	C	S	.	.	S	Bend	trans	-103.7	82.5	164.1	0	0	0	0	0	110.6	N111 Q147	N111-G113 VanDerWaalsContact CG-O 3.28Å; N111-G113 PolarHBondContact O-N 2.89Å; N111-G113 PolarHBondContact OD1-N 2.93Å; N111-G113 PolarHBondContact OD1-O 2.86Å; N111-G113 VanDerWaalsContact OD1-O 3.11Å; G113-Q147 WeakPolarHBondContact O-CA 3.5Å; G113-Q147 PolarHBondContact O-N 3.02Å
114	V	93.5	Very high	89.2	Confident	31 Å²	31	58.2 Å²	58.2	19%	0.188	30%	0.295	C	S	.	.			trans	-59.1	140.8	-178	-178.3	0	0	0	0	111.1	N111 S117 N192 Y194	N111-V114 WeakPolarHBondContact O-CG2 3.21Å; V114-S117 VanDerWaalsContact O-CB 3.29Å; V114-S117 WeakPolarHBondContact O-CB 3.39Å; V114-S117 PolarHBondContact O-N 3.26Å; V114-S117 VanDerWaalsContact O-N 3.13Å; V114-N192 WeakPolarHBondContact CG2-ND2 3.13Å; V114-Y194 HydrophobicContact CG1-CD1 4.22Å; V114-Y194 HydrophobicContact CG1-CD2 4Å; V114-Y194 HydrophobicContact CG1-CG 3.71Å; V114-Y194 HydrophobicContact CG2-CD1 4.15Å; V114-Y194 HydrophobicContact CG2-CG 4.26Å
115	P	92.3	Very high	89.3	Confident	22 Å²	22	52.8 Å²	52.8	14%	0.143	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	142.3	171.6	-21.5	26.2	0	0	0	112.4	S117 P149 Y194	P115-S117 PolarHBondContact O-N 2.04Å; P115-P149 WeakPolarHBondContact CG-O 3.31Å; P115-Y194 HydrophobicContact CG-CE2 3.87Å
116	K	85.5	Confident	89.3	Confident	160 Å²	160	52.6 Å²	52.6	70%	0.696	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	-1.5	-178	-54.9	176.8	179.9	174.3	0	115.9	E154	K116-E154 WeakPolarHBondContact CE-OE2 3.48Å; K116-E154 IonicContact NZ-OE1 3.73Å; K116-E154 PolarHBondContact NZ-OE1 2.9Å; K116-E154 IonicContact NZ-OE2 2.76Å; K116-E154 PolarHBondContact NZ-OE2 3.29Å
117	S	81.8	Confident	89.2	Confident	46 Å²	46	52.7 Å²	52.7	32%	0.322	26%	0.264	S	S	.	.			trans	-82.4	136.8	169.3	-177	0	0	0	0	110.7	V114 P115 N119 Q147	V114-S117 VanDerWaalsContact O-CB 3.29Å; V114-S117 WeakPolarHBondContact O-CB 3.39Å; V114-S117 PolarHBondContact O-N 3.26Å; V114-S117 VanDerWaalsContact O-N 3.13Å; P115-S117 PolarHBondContact O-N 2.04Å; S117-N119 VanDerWaalsContact C-N 3.33Å; S117-N119 PolarHBondContact OG-N 3.46Å; S117-N119 PolarHBondContact OG-O 2.77Å; S117-Q147 PolarHBondContact O-NE2 3.48Å
118	V	70.1	Confident	89.2	Confident	138 Å²	138	52.1 Å²	52.1	84%	0.836	26%	0.262	S	S	*	.	S	Bend	trans	-76.1	-26.7	173.2	-168.5	0	0	0	0	111
119	N	71.5	Confident	89.3	Confident	125 Å²	125	52.1 Å²	52.1	67%	0.668	26%	0.262	S	S	*	.	S	Bend	trans	-115.2	139.8	-172.5	-69.2	-30.5	0	0	0	112.5	S117	S117-N119 VanDerWaalsContact C-N 3.33Å; S117-N119 PolarHBondContact OG-N 3.46Å; S117-N119 PolarHBondContact OG-O 2.77Å
120	C	75.6	Confident	89.3	Confident	80 Å²	80	52.1 Å²	52.1	54%	0.541	26%	0.262	S	S	.	.			trans	-83.9	133.3	166.2	-62.4	0	0	0	0	109.7	D112	D112-C120 CarbonylContact O-C 3.48Å; D112-C120 WeakPolarHBondContact O-CA 3.37Å
121	S	77.7	Confident	89.3	Confident	34 Å²	34	52.1 Å²	52.1	24%	0.238	26%	0.262	C	S	.	.			trans	-75.3	128.2	177.5	-178.3	0	0	0	0	110.8	D112 K123 Y124 R334	D112-S121 PolarHBondContact O-N 3.04Å; S121-K123 PolarHBondContact OG-N 3.31Å; S121-Y124 WeakPolarHBondContact OG-CD2 3.24Å; S121-R334 PolarHBondContact O-NH2 3.29Å
122	R	80.6	Confident	89.3	Confident	230 Å²	230	52.1 Å²	52.1	87%	0.868	26%	0.262	S	S	*	.	S	Bend	trans	-87.5	-11.4	172	-65.3	-173.2	-179.4	-176	1.2	113.3	Y124	R122-Y124 VanDerWaalsContact C-N 3.27Å; R122-Y124 PolarHBondContact O-N 2.81Å
123	K	85.9	Confident	89.5	Confident	152 Å²	152	52 Å²	52	66%	0.661	26%	0.261	S	S	*	.	S	Bend	trans	-70.5	-25.5	177.6	-177.2	-179.7	176.4	-174.9	0	112.3	S121 N190	S121-K123 PolarHBondContact OG-N 3.31Å; K123-N190 PolarHBondContact O-ND2 2.84Å
124	Y	92.1	Very high	89.7	Confident	43 Å²	43	53.1 Å²	53.1	17%	0.169	27%	0.267	C	S	.	.	S	Bend	trans	-111.5	161.2	-175.6	-57.1	-70.6	0	0	0	111.1	S121 R122 N190 N192 R334	S121-Y124 WeakPolarHBondContact OG-CD2 3.24Å; R122-Y124 VanDerWaalsContact C-N 3.27Å; R122-Y124 PolarHBondContact O-N 2.81Å; Y124-N190 WeakPolarHBondContact CB-O 3.37Å; Y124-N192 HydrophobicContact CD1-CB 4.46Å; Y124-N192 HydrophobicContact CD2-CB 3.44Å; Y124-N192 VanDerWaalsContact CD2-CB 3.44Å; Y124-N192 WeakPolarHBondContact CD2-OD1 3.17Å; Y124-N192 HydrophobicContact CE2-CB 4.19Å; Y124-N192 WeakPolarHBondContact CE2-OD1 3.44Å; Y124-N192 HydrophobicContact CG-CB 3.62Å; Y124-R334 PolarHBondContact O-NE 3.35Å; Y124-R334 PolarHBondContact O-NH2 2.87Å
125	G	94.9	Very high	89.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.275	C	S	.	.			trans	-57.1	157.7	177.6	0	0	0	0	0	113.5	D112 T127 N190 R334 S335	D112-G125 WeakPolarHBondContact CB-O 3.35Å; G125-T127 PolarHBondContact O-N 3.44Å; G125-N190 PolarHBondContact N-O 3.46Å; G125-R334 VanDerWaalsContact C-NH2 3.31Å; G125-R334 PolarHBondContact O-NH2 3.44Å; G125-R334 VanDerWaalsContact O-NH2 3.12Å; G125-S335 CarbonylContact C-O 3.53Å; G125-S335 WeakPolarHBondContact CA-O 3.22Å
126	H	96.4	Very high	90	Very high	21 Å²	21	59 Å²	59	10%	0.097	29%	0.292	C	S	.	.	S	Bend	trans	-76.1	40	176.8	-165.5	31.6	0	0	0	113.1	D112 K128 K307 D324 L325 Q331 R334 S335	D112-H126 IonicContact OD1-ND1 2.81Å; D112-H126 PolarHBondContact OD1-ND1 2.85Å; D112-H126 IonicContact OD2-CE1 3.51Å; D112-H126 IonicContact OD2-CG 3.27Å; D112-H126 IonicContact OD2-ND1 2.77Å; D112-H126 PolarHBondContact OD2-ND1 2.87Å; H126-K128 PolarHBondContact CE1-NZ 2.86Å; H126-K128 VanDerWaalsContact CE1-NZ 3.28Å; H126-K128 PolarHBondContact ND1-NZ 3.34Å; H126-K307 VanDerWaalsContact NE2-CE 3.29Å; H126-K307 WeakPolarHBondContact NE2-CE 3.27Å; H126-D324 PolarHBondContact CD2-O 2.84Å; H126-D324 WeakPolarHBondContact O-CB 3Å; H126-D324 VanDerWaalsContact O-O 3.1Å; H126-L325 HydrophobicContact CB-CD2 3.88Å; H126-Q331 VanDerWaalsContact CB-OE1 3.3Å; H126-Q331 PolarHBondContact CD2-OE1 3.28Å; H126-R334 VanDerWaalsContact CA-NH2 3.33Å; H126-R334 VanDerWaalsContact CB-CZ 3.42Å; H126-R334 PolarHBondContact ND1-NH1 3.3Å; H126-S335 PolarHBondContact N-O 2.81Å
127	T	97.3	Very high	90.6	Very high	1 Å²	1	52 Å²	52	1%	0.006	26%	0.262	C	S	.	.			trans	-109	145.4	-166.1	-171.2	0	0	0	0	110.9	Y110 D112 G125 C189 P191 D324	Y110-T127 HydrophobicContact CD2-CG2 3.86Å; Y110-T127 HydrophobicContact CE2-CG2 3.96Å; Y110-T127 WeakPolarHBondContact CE2-OG1 3.46Å; D112-T127 PolarHBondContact N-O 3.24Å; G125-T127 PolarHBondContact O-N 3.44Å; T127-C189 HydrophobicContact CG2-CB 4.49Å; T127-P191 VanDerWaalsContact CG2-CA 3.48Å; T127-P191 HydrophobicContact CG2-CB 3.52Å; T127-D324 WeakPolarHBondContact CA-OD1 3.26Å; T127-D324 WeakPolarHBondContact CB-OD2 3.42Å; T127-D324 PolarHBondContact OG1-OD1 2.82Å; T127-D324 PolarHBondContact OG1-OD2 3.42Å
128	K	98.3	Very high	91.4	Very high	5 Å²	5	49.8 Å²	49.8	2%	0.022	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	138.8	178	-36.8	172	-179.4	39.4	0	110.6	Y110 N111 D112 H126 H143 I145	Y110-K128 VanDerWaalsContact CE2-CA 3.48Å; Y110-K128 WeakPolarHBondContact O-CA 3.18Å; N111-K128 HydrophobicContact CB-CB 4.39Å; N111-K128 HydrophobicContact CB-CG 4.44Å; N111-K128 VanDerWaalsContact OD1-CD 3.27Å; N111-K128 WeakPolarHBondContact OD1-CD 3.49Å; N111-K128 WeakPolarHBondContact OD1-CE 3.41Å; N111-K128 WeakPolarHBondContact OD1-CG 3.41Å; D112-K128 WeakPolarHBondContact OD1-CE 3.46Å; D112-K128 IonicContact OD1-NZ 3.23Å; D112-K128 PolarHBondContact OD1-NZ 2.94Å; H126-K128 PolarHBondContact CE1-NZ 2.86Å; H126-K128 VanDerWaalsContact CE1-NZ 3.28Å; H126-K128 PolarHBondContact ND1-NZ 3.34Å; K128-H143 VanDerWaalsContact CB-CE1 3.43Å; K128-H143 WeakPolarHBondContact CB-CE1 3.28Å; K128-H143 WeakPolarHBondContact CB-O 3.34Å; K128-H143 PolarHBondContact O-N 2.92Å; K128-H143 VanDerWaalsContact O-N 3.13Å; K128-I145 VanDerWaalsContact CD-O 3.28Å; K128-I145 WeakPolarHBondContact CD-O 3.32Å
129	G	98.5	Very high	92.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.6	-175.2	-178.1	0	0	0	0	0	112.6	Y110 L141	Y110-G129 VanDerWaalsContact CD1-O 3.26Å; Y110-G129 WeakPolarHBondContact CD1-O 3.3Å; Y110-G129 VanDerWaalsContact CZ-CA 3.45Å; Y110-G129 PolarHBondContact N-O 3.22Å; Y110-G129 PolarHBondContact O-N 3.41Å; Y110-G129 VanDerWaalsContact O-O 3.07Å; G129-L141 CarbonylContact C-O 3.59Å; G129-L141 WeakPolarHBondContact CA-O 3.38Å
130	L	98.5	Very high	94	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	159.2	171.8	74.2	135.9	0	0	0	111.7	L91 L94 L108 I109 F139 L141 P149	L91-L130 HydrophobicContact CD2-CD1 3.29Å; L91-L130 HydrophobicContact CD2-CD2 3.62Å; L91-L130 HydrophobicContact CD2-CG 4.04Å; L94-L130 HydrophobicContact CD2-CD1 3.95Å; L108-L130 CarbonylContact O-C 3.5Å; L108-L130 WeakPolarHBondContact O-CA 3.26Å; L108-L130 WeakPolarHBondContact O-CB 3.44Å; I109-L130 HydrophobicContact CB-CB 4.4Å; I109-L130 HydrophobicContact CG1-CB 4.35Å; I109-L130 HydrophobicContact CG2-CB 4.05Å; L130-F139 HydrophobicContact CD1-CE2 3.85Å; L130-F139 HydrophobicContact CD1-CZ 4.16Å; L130-F139 HydrophobicContact CG-CE2 4.18Å; L130-L141 HydrophobicContact CD2-CB 3.81Å; L130-L141 HydrophobicContact CD2-CD2 3.47Å; L130-L141 VanDerWaalsContact CD2-CD2 3.47Å; L130-L141 HydrophobicContact CD2-CG 4.16Å; L130-L141 HydrophobicContact CG-CB 4.22Å; L130-L141 PolarHBondContact N-O 3.19Å; L130-L141 PolarHBondContact O-N 2.77Å; L130-P149 HydrophobicContact CD2-CG 4.37Å
131	L	98.8	Very high	95.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.5	172.4	-57.6	95.3	0	0	0	108.9	Y107 L108 Y110 W133 F139 W140 Y179 I182 L186 M209	Y107-L131 WeakPolarHBondContact CA-O 3.5Å; Y107-L131 WeakPolarHBondContact CB-O 3.32Å; L108-L131 HydrophobicContact CB-CD1 4.45Å; L108-L131 HydrophobicContact CD2-CD1 4.13Å; L108-L131 PolarHBondContact N-O 3.33Å; L108-L131 PolarHBondContact O-N 2.9Å; Y110-L131 HydrophobicContact CD1-CD1 4.39Å; Y110-L131 HydrophobicContact CE1-CD1 3.81Å; L131-W133 HydrophobicContact CB-CE3 3.74Å; L131-W133 HydrophobicContact CB-CZ3 3.68Å; L131-F139 WeakPolarHBondContact CA-O 3.47Å; L131-W140 HydrophobicContact CD2-CB 4.15Å; L131-W140 HydrophobicContact CD2-CD2 4.41Å; L131-W140 HydrophobicContact CD2-CG 3.95Å; L131-W140 HydrophobicContact CG-CB 4.27Å; L131-W140 HydrophobicContact CG-CG 3.99Å; L131-Y179 HydrophobicContact CB-CE1 4.46Å; L131-Y179 HydrophobicContact CD2-CD1 4.44Å; L131-Y179 HydrophobicContact CD2-CE1 3.89Å; L131-I182 HydrophobicContact CD2-CG2 3.59Å; L131-L186 HydrophobicContact CD1-CD1 3.68Å; L131-L186 HydrophobicContact CD2-CD1 4.43Å; L131-M209 HydrophobicContact CD2-CE 4.14Å
132	L	98.8	Very high	96.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	126.6	167.6	177.9	71.3	0	0	0	107.4	I30 Q93 L94 A97 T105 A106 G138 F139	I30-L132 HydrophobicContact CD1-CG 4.23Å; I30-L132 HydrophobicContact CG2-CB 4.33Å; I30-L132 HydrophobicContact CG2-CD2 3.82Å; I30-L132 HydrophobicContact CG2-CG 3.91Å; I30-L132 WeakPolarHBondContact CG2-O 3.07Å; Q93-L132 HydrophobicContact CB-CD2 3.68Å; L94-L132 HydrophobicContact CB-CD2 4.19Å; L94-L132 HydrophobicContact CD1-CD1 4.06Å; A97-L132 HydrophobicContact CB-CD1 3.91Å; T105-L132 HydrophobicContact CG2-CD1 3.45Å; T105-L132 VanDerWaalsContact CG2-CD1 3.45Å; T105-L132 HydrophobicContact CG2-CG 4.24Å; A106-L132 WeakPolarHBondContact O-CA 3.22Å; L132-G138 CarbonylContact O-C 3.51Å; L132-G138 WeakPolarHBondContact O-CA 3.28Å; L132-F139 HydrophobicContact CB-CD1 4.38Å; L132-F139 HydrophobicContact CB-CE1 3.8Å; L132-F139 HydrophobicContact CB-CE2 4.34Å; L132-F139 HydrophobicContact CB-CZ 3.75Å; L132-F139 HydrophobicContact CD2-CE1 3.78Å; L132-F139 HydrophobicContact CD2-CZ 4.17Å; L132-F139 HydrophobicContact CG-CE1 4.35Å; L132-F139 PolarHBondContact N-O 3.04Å; L132-F139 PolarHBondContact O-N 2.94Å
133	W	98.3	Very high	97	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	159.4	-175.9	72.1	98.8	0	0	0	113.8	T105 A106 L108 L131 Y176 Y179 I198 F202 L206 M209	T105-W133 CarbonylContact C-O 3.53Å; T105-W133 VanDerWaalsContact CA-O 3.3Å; T105-W133 WeakPolarHBondContact CA-O 3.4Å; T105-W133 WeakPolarHBondContact CG2-O 3.36Å; A106-W133 HydrophobicContact CB-CD2 3.86Å; A106-W133 HydrophobicContact CB-CE3 4.22Å; A106-W133 HydrophobicContact CB-CH2 3.78Å; A106-W133 HydrophobicContact CB-CZ2 3.36Å; A106-W133 HydrophobicContact CB-CZ3 4.18Å; A106-W133 PolarHBondContact N-O 3.38Å; A106-W133 VanDerWaalsContact O-CE3 3.31Å; A106-W133 PolarHBondContact O-N 2.57Å; L108-W133 HydrophobicContact CB-CH2 4.35Å; L108-W133 HydrophobicContact CB-CZ3 4.2Å; L131-W133 HydrophobicContact CB-CE3 3.74Å; L131-W133 HydrophobicContact CB-CZ3 3.68Å; W133-Y176 AromaticContact CD1-CD2 3.87Å; W133-Y176 AromaticContact CD1-CE2 3.76Å; W133-Y176 AromaticContact NE1-CE2 3.92Å; W133-Y179 HydrophobicContact CB-CD1 4.18Å; W133-Y179 HydrophobicContact CB-CE1 3.46Å; W133-Y179 VanDerWaalsContact CB-CE1 3.46Å; W133-Y179 HydrophobicContact CB-CE2 3.9Å; W133-Y179 WeakPolarHBondContact CB-OH 3.49Å; W133-Y179 AromaticContact CD2-CD1 3.76Å; W133-Y179 HydrophobicContact CD2-CD1 3.76Å; W133-Y179 AromaticContact CD2-CE1 3.5Å; W133-Y179 HydrophobicContact CD2-CE1 3.5Å; W133-Y179 HydrophobicContact CE3-CD1 4.26Å; W133-Y179 AromaticContact CE3-CE1 3.71Å; W133-Y179 HydrophobicContact CE3-CE1 3.71Å; W133-Y179 AromaticContact CG-CD1 3.74Å; W133-Y179 HydrophobicContact CG-CD1 3.74Å; W133-Y179 AromaticContact CG-CE1 3.43Å; W133-Y179 HydrophobicContact CG-CE1 3.43Å; W133-Y179 VanDerWaalsContact CG-CE1 3.43Å; W133-Y179 HydrophobicContact CG-CE2 4.43Å; W133-Y179 HydrophobicContact CG-CG 4.38Å; W133-Y179 AromaticContact CG-CZ 3.83Å; W133-I198 HydrophobicContact CH2-CD1 4.07Å; W133-I198 HydrophobicContact CH2-CG1 4.02Å; W133-I198 HydrophobicContact CZ2-CD1 4.49Å; W133-I198 HydrophobicContact CZ2-CG1 4.35Å; W133-I198 HydrophobicContact CZ2-CG2 4.21Å; W133-F202 AromaticContact CD1-CE1 3.76Å; W133-F202 AromaticContact NE1-CD1 3.56Å; W133-F202 AromaticContact NE1-CE1 3.62Å; W133-L206 HydrophobicContact CZ2-CD1 3.71Å; W133-M209 HydrophobicContact CH2-SD 3.89Å; W133-M209 HydrophobicContact CZ2-SD 4.3Å; W133-M209 HydrophobicContact CZ3-SD 4.46Å
134	N	97	Very high	97.6	Very high	28 Å²	28	14.4 Å²	14.4	15%	0.15	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	-172.5	166.6	66.7	25	0	0	0	109.8	I30 N104 V136 Q137 Y176	I30-N134 HydrophobicContact CD1-CB 3.89Å; N104-N134 WeakPolarHBondContact O-CA 3.26Å; N104-N134 WeakPolarHBondContact O-CB 3.42Å; N134-V136 PolarHBondContact O-N 3.15Å; N134-V136 VanDerWaalsContact O-N 3.14Å; N134-V136 WeakPolarHBondContact OD1-CA 3.25Å; N134-V136 WeakPolarHBondContact OD1-CB 3.05Å; N134-V136 PolarHBondContact OD1-N 2.86Å; N134-Q137 PolarHBondContact N-O 3.31Å; N134-Q137 PolarHBondContact OD1-N 3.49Å; N134-Q137 PolarHBondContact OD1-O 3.03Å; N134-Y176 WeakPolarHBondContact O-CD2 3.04Å
135	R	95.7	Very high	97.9	Very high	93 Å²	93	12.3 Å²	12.3	35%	0.351	6%	0.06	S	C	.	.	S	Bend	trans	-67.9	-5.7	179.7	-71.3	-65	-171.8	164.4	-3.9	115.5	Y176 T201 F202 E205	R135-Y176 PolarHBondContact NH1-OH 3.16Å; R135-Y176 WeakPolarHBondContact O-CB 3.47Å; R135-T201 PolarHBondContact NH2-O 3.24Å; R135-F202 HydrophobicContact CG-CE1 4.04Å; R135-F202 HydrophobicContact CG-CZ 4.47Å; R135-E205 IonicContact CZ-OE1 2.66Å; R135-E205 IonicContact CZ-OE2 3.73Å; R135-E205 VanDerWaalsContact NH1-CD 3.27Å; R135-E205 IonicContact NH1-OE1 2.65Å; R135-E205 PolarHBondContact NH1-OE1 3.45Å; R135-E205 IonicContact NH1-OE2 3.49Å; R135-E205 PolarHBondContact NH1-OE2 3.29Å; R135-E205 IonicContact NH2-OE1 3.47Å; R135-E205 PolarHBondContact NH2-OE1 3.04Å; R135-E205 IonicContact NH2-OE2 3.01Å; R135-E205 PolarHBondContact NH2-OE2 2.97Å
136	V	96.5	Very high	97.9	Very high	83 Å²	83	13.8 Å²	13.8	50%	0.503	7%	0.069	S	C	.	.	S	Bend	trans	-102.7	-55.1	176.4	-178.1	0	0	0	0	110.1	N134 Y176	N134-V136 PolarHBondContact O-N 3.15Å; N134-V136 VanDerWaalsContact O-N 3.14Å; N134-V136 WeakPolarHBondContact OD1-CA 3.25Å; N134-V136 WeakPolarHBondContact OD1-CB 3.05Å; N134-V136 PolarHBondContact OD1-N 2.86Å; V136-Y176 PolarHBondContact O-N 3.36Å
137	Q	97.7	Very high	97.9	Very high	13 Å²	13	15.7 Å²	15.7	6%	0.061	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163	173.1	-174.8	60.2	178.7	66.7	0	0	112	T29 I30 N134 F174 K175	T29-Q137 PolarHBondContact OG1-NE2 3.45Å; I30-Q137 WeakPolarHBondContact O-CG 3.17Å; I30-Q137 PolarHBondContact O-NE2 3.23Å; N134-Q137 PolarHBondContact N-O 3.31Å; N134-Q137 PolarHBondContact OD1-N 3.49Å; N134-Q137 PolarHBondContact OD1-O 3.03Å; Q137-F174 CarbonylContact C-O 3.5Å; Q137-F174 WeakPolarHBondContact CA-O 3.11Å; Q137-F174 WeakPolarHBondContact CB-O 3.29Å; Q137-K175 HydrophobicContact CB-CD 4.09Å
138	G	98.6	Very high	97.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	-167.7	173.3	0	0	0	0	0	111.2	L132 T173 F174 Y179	L132-G138 CarbonylContact O-C 3.51Å; L132-G138 WeakPolarHBondContact O-CA 3.28Å; G138-T173 CarbonylContact O-C 3.5Å; G138-T173 VanDerWaalsContact O-CA 3.32Å; G138-T173 WeakPolarHBondContact O-CA 3.27Å; G138-F174 PolarHBondContact N-O 2.81Å; G138-F174 PolarHBondContact O-N 3.47Å; G138-Y179 VanDerWaalsContact C-OH 3.23Å; G138-Y179 VanDerWaalsContact CA-OH 3.26Å; G138-Y179 WeakPolarHBondContact CA-OH 3.38Å
139	F	98.9	Very high	97.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	156.7	167.5	66.5	-100.9	0	0	0	111.7	I30 T90 L91 L130 L131 L132 L141 I172 Y179	I30-F139 HydrophobicContact CG2-CD1 3.74Å; I30-F139 HydrophobicContact CG2-CE1 4.04Å; T90-F139 HydrophobicContact CG2-CD1 4.14Å; T90-F139 HydrophobicContact CG2-CD2 4.22Å; T90-F139 HydrophobicContact CG2-CE1 3.83Å; T90-F139 HydrophobicContact CG2-CE2 3.95Å; T90-F139 HydrophobicContact CG2-CG 4.33Å; T90-F139 HydrophobicContact CG2-CZ 3.75Å; L91-F139 HydrophobicContact CD2-CZ 4.43Å; L130-F139 HydrophobicContact CD1-CE2 3.85Å; L130-F139 HydrophobicContact CD1-CZ 4.16Å; L130-F139 HydrophobicContact CG-CE2 4.18Å; L131-F139 WeakPolarHBondContact CA-O 3.47Å; L132-F139 HydrophobicContact CB-CD1 4.38Å; L132-F139 HydrophobicContact CB-CE1 3.8Å; L132-F139 HydrophobicContact CB-CE2 4.34Å; L132-F139 HydrophobicContact CB-CZ 3.75Å; L132-F139 HydrophobicContact CD2-CE1 3.78Å; L132-F139 HydrophobicContact CD2-CZ 4.17Å; L132-F139 HydrophobicContact CG-CE1 4.35Å; L132-F139 PolarHBondContact N-O 3.04Å; L132-F139 PolarHBondContact O-N 2.94Å; F139-L141 HydrophobicContact CD2-CB 4.49Å; F139-I172 CarbonylContact C-O 3.51Å; F139-I172 WeakPolarHBondContact CA-O 3.22Å; F139-I172 WeakPolarHBondContact CB-O 3.41Å; F139-Y179 PolarHBondContact N-OH 2.81Å; F139-Y179 PolarHBondContact O-OH 3.11Å
140	W	98.9	Very high	97.8	Very high	5 Å²	5	15.9 Å²	15.9	2%	0.019	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.1	166	-175.9	14.4	0	0	0	108.7	Y110 L131 I142 C171 I172 F174 I182 L186 L229 H239	Y110-W140 AromaticContact CZ-NE1 3.89Å; Y110-W140 PolarHBondContact OH-NE1 2.52Å; L131-W140 HydrophobicContact CD2-CB 4.15Å; L131-W140 HydrophobicContact CD2-CD2 4.41Å; L131-W140 HydrophobicContact CD2-CG 3.95Å; L131-W140 HydrophobicContact CG-CB 4.27Å; L131-W140 HydrophobicContact CG-CG 3.99Å; W140-I142 HydrophobicContact CD2-CD1 3.97Å; W140-I142 HydrophobicContact CD2-CG1 3.98Å; W140-I142 HydrophobicContact CE3-CD1 4.18Å; W140-I142 HydrophobicContact CG-CG1 4.27Å; W140-I142 HydrophobicContact CH2-CD1 3.95Å; W140-I142 HydrophobicContact CZ2-CD1 3.7Å; W140-I142 HydrophobicContact CZ2-CG1 3.87Å; W140-I142 HydrophobicContact CZ3-CD1 4.17Å; W140-C171 WeakPolarHBondContact O-CA 3.37Å; W140-I172 PolarHBondContact N-O 3.02Å; W140-I172 PolarHBondContact O-N 2.82Å; W140-F174 HydrophobicContact CB-CD2 4.08Å; W140-F174 HydrophobicContact CB-CE2 3.95Å; W140-F174 HydrophobicContact CE3-CE2 4.13Å; W140-I182 HydrophobicContact CD2-CG2 4.21Å; W140-I182 HydrophobicContact CE3-CD1 4.13Å; W140-I182 HydrophobicContact CE3-CG1 4.1Å; W140-I182 HydrophobicContact CE3-CG2 3.92Å; W140-I182 HydrophobicContact CH2-CG2 4.34Å; W140-I182 HydrophobicContact CZ3-CG1 4.2Å; W140-I182 HydrophobicContact CZ3-CG2 3.99Å; W140-L186 HydrophobicContact CZ2-CD2 4Å; W140-L229 HydrophobicContact CE3-CD1 4.47Å; W140-L229 HydrophobicContact CZ3-CD1 3.99Å; W140-H239 AromaticContact CH2-CD2 3.53Å; W140-H239 AromaticContact CH2-CE1 3.83Å; W140-H239 AromaticContact CH2-NE2 3.36Å; W140-H239 WeakPolarHBondContact CH2-NE2 3.45Å; W140-H239 AromaticContact CZ3-CD2 3.87Å
141	L	98.9	Very high	97.7	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.9	171.5	179.9	71.7	0	0	0	109.2	F43 F45 L87 G129 L130 F139 F148 I170 C171	F43-L141 HydrophobicContact CE2-CD1 4.48Å; F43-L141 HydrophobicContact CZ-CD1 4.46Å; F45-L141 HydrophobicContact CE1-CD1 4.27Å; L87-L141 HydrophobicContact CD2-CD1 3.99Å; L87-L141 HydrophobicContact CD2-CD2 3.74Å; G129-L141 CarbonylContact C-O 3.59Å; G129-L141 WeakPolarHBondContact CA-O 3.38Å; L130-L141 HydrophobicContact CD2-CB 3.81Å; L130-L141 HydrophobicContact CD2-CD2 3.47Å; L130-L141 VanDerWaalsContact CD2-CD2 3.47Å; L130-L141 HydrophobicContact CD2-CG 4.16Å; L130-L141 HydrophobicContact CG-CB 4.22Å; L130-L141 PolarHBondContact N-O 3.19Å; L130-L141 PolarHBondContact O-N 2.77Å; F139-L141 HydrophobicContact CD2-CB 4.49Å; L141-F148 HydrophobicContact CD2-CE1 4.37Å; L141-I170 WeakPolarHBondContact CA-O 3.36Å; L141-C171 HydrophobicContact CD1-CB 3.84Å
142	I	98.9	Very high	97.6	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.021	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	129.7	171.6	-59.6	167.3	0	0	0	107.8	W140 G169 I170 I339	W140-I142 HydrophobicContact CD2-CD1 3.97Å; W140-I142 HydrophobicContact CD2-CG1 3.98Å; W140-I142 HydrophobicContact CE3-CD1 4.18Å; W140-I142 HydrophobicContact CG-CG1 4.27Å; W140-I142 HydrophobicContact CH2-CD1 3.95Å; W140-I142 HydrophobicContact CZ2-CD1 3.7Å; W140-I142 HydrophobicContact CZ2-CG1 3.87Å; W140-I142 HydrophobicContact CZ3-CD1 4.17Å; I142-G169 CarbonylContact O-C 3.35Å; I142-G169 WeakPolarHBondContact O-CA 3.22Å; I142-I170 HydrophobicContact CB-CG2 4.22Å; I142-I170 PolarHBondContact N-O 2.82Å; I142-I170 PolarHBondContact O-N 3.47Å; I142-I339 HydrophobicContact CD1-CB 4.01Å; I142-I339 HydrophobicContact CD1-CD1 4.34Å; I142-I339 HydrophobicContact CD1-CG2 3.86Å
143	H	98.7	Very high	97.5	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.014	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	167.2	-175.8	67	70.2	0	0	0	114.2	F45 K128 I145 F148 S168	F45-H143 HydrophobicContact CZ-CB 4.22Å; K128-H143 VanDerWaalsContact CB-CE1 3.43Å; K128-H143 WeakPolarHBondContact CB-CE1 3.28Å; K128-H143 WeakPolarHBondContact CB-O 3.34Å; K128-H143 PolarHBondContact O-N 2.92Å; K128-H143 VanDerWaalsContact O-N 3.13Å; H143-I145 HydrophobicContact CB-CD1 4.18Å; H143-I145 HydrophobicContact CB-CG1 4.19Å; H143-I145 PolarHBondContact CE1-O 3.35Å; H143-I145 PolarHBondContact ND1-N 3.06Å; H143-I145 VanDerWaalsContact ND1-N 3.11Å; H143-I145 PolarHBondContact ND1-O 3.18Å; H143-F148 AromaticContact CE1-CD1 3.75Å; H143-F148 AromaticContact NE2-CD1 3.54Å; H143-S168 WeakPolarHBondContact CA-O 3.49Å
144	S	97.9	Very high	97.4	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.014	14%	0.137	C	C	.	.			trans	-100.2	2.1	177.4	68.8	0	0	0	0	115.7	P146 Q167 S168 H305	S144-P146 WeakPolarHBondContact O-CD 3.34Å; S144-Q167 WeakPolarHBondContact OG-CA 3.34Å; S144-Q167 WeakPolarHBondContact OG-CB 3.5Å; S144-S168 PolarHBondContact N-O 2.89Å; S144-S168 PolarHBondContact OG-N 3.13Å; S144-S168 VanDerWaalsContact OG-N 3.12Å; S144-S168 PolarHBondContact OG-O 2.96Å; S144-H305 WeakPolarHBondContact CB-O 3.28Å; S144-H305 PolarHBondContact OG-O 3.26Å
145	I	97.8	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.			trans	-71.5	107.4	-175.5	-40.2	160.2	0	0	0	112.6	F45 L87 N111 K128 H143 F148 Y158 P159 Q167	F45-I145 HydrophobicContact CE2-CD1 4.41Å; F45-I145 HydrophobicContact CZ-CD1 4.04Å; L87-I145 HydrophobicContact CD1-CD1 3.67Å; N111-I145 PolarHBondContact ND2-O 3.36Å; K128-I145 VanDerWaalsContact CD-O 3.28Å; K128-I145 WeakPolarHBondContact CD-O 3.32Å; H143-I145 HydrophobicContact CB-CD1 4.18Å; H143-I145 HydrophobicContact CB-CG1 4.19Å; H143-I145 PolarHBondContact CE1-O 3.35Å; H143-I145 PolarHBondContact ND1-N 3.06Å; H143-I145 VanDerWaalsContact ND1-N 3.11Å; H143-I145 PolarHBondContact ND1-O 3.18Å; I145-F148 HydrophobicContact CB-CB 3.88Å; I145-F148 HydrophobicContact CB-CD1 4.2Å; I145-F148 HydrophobicContact CB-CG 4.2Å; I145-F148 HydrophobicContact CD1-CD1 3.61Å; I145-F148 HydrophobicContact CD1-CE1 3.83Å; I145-F148 HydrophobicContact CD1-CG 4.08Å; I145-F148 HydrophobicContact CD1-CZ 4.45Å; I145-F148 HydrophobicContact CG1-CD1 4.49Å; I145-F148 HydrophobicContact CG2-CB 3.37Å; I145-F148 HydrophobicContact CG2-CD1 4.34Å; I145-F148 HydrophobicContact CG2-CG 3.84Å; I145-Y158 HydrophobicContact CD1-CE2 3.97Å; I145-Y158 HydrophobicContact CG1-CE2 4.26Å; I145-Y158 HydrophobicContact CG2-CE2 3.77Å; I145-P159 HydrophobicContact CG2-CG 3.79Å; I145-Q167 VanDerWaalsContact CA-OE1 3.24Å; I145-Q167 HydrophobicContact CG1-CB 4.48Å
146	P	95.8	Very high	97.5	Very high	30 Å²	30	24.2 Å²	24.2	20%	0.195	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	153.5	171.5	-11.6	29.5	0	0	0	110.6	S144 F148 P159 Q167	S144-P146 WeakPolarHBondContact O-CD 3.34Å; P146-F148 PolarHBondContact O-N 3.05Å; P146-P159 VanDerWaalsContact O-CG 3.29Å; P146-P159 WeakPolarHBondContact O-CG 3.5Å; P146-Q167 VanDerWaalsContact CD-NE2 3.31Å
147	Q	96.4	Very high	97.6	Very high	61 Å²	61	24.1 Å²	24.1	29%	0.285	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	30.5	178.3	-59.8	176.7	-5.1	0	0	113.7	G113 S117 P159 T161	G113-Q147 WeakPolarHBondContact O-CA 3.5Å; G113-Q147 PolarHBondContact O-N 3.02Å; S117-Q147 PolarHBondContact O-NE2 3.48Å; Q147-P159 HydrophobicContact CB-CB 4.07Å; Q147-P159 HydrophobicContact CB-CG 4.49Å; Q147-T161 PolarHBondContact OE1-OG1 2.88Å
148	F	97.6	Very high	97.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.			trans	-138	151.7	-178.7	177.5	-91.8	0	0	0	111.9	L87 L91 N111 L141 H143 I145 P146 Y156 D157 Y158 P159 Y194	L87-F148 HydrophobicContact CB-CZ 4.32Å; L87-F148 HydrophobicContact CD1-CE1 4.17Å; L87-F148 HydrophobicContact CD1-CZ 3.9Å; L91-F148 HydrophobicContact CD1-CE1 4.14Å; L91-F148 HydrophobicContact CD1-CE2 4.27Å; L91-F148 HydrophobicContact CD1-CZ 3.52Å; N111-F148 PolarHBondContact ND2-N 3.08Å; N111-F148 PolarHBondContact ND2-O 3.01Å; L141-F148 HydrophobicContact CD2-CE1 4.37Å; H143-F148 AromaticContact CE1-CD1 3.75Å; H143-F148 AromaticContact NE2-CD1 3.54Å; I145-F148 HydrophobicContact CB-CB 3.88Å; I145-F148 HydrophobicContact CB-CD1 4.2Å; I145-F148 HydrophobicContact CB-CG 4.2Å; I145-F148 HydrophobicContact CD1-CD1 3.61Å; I145-F148 HydrophobicContact CD1-CE1 3.83Å; I145-F148 HydrophobicContact CD1-CG 4.08Å; I145-F148 HydrophobicContact CD1-CZ 4.45Å; I145-F148 HydrophobicContact CG1-CD1 4.49Å; I145-F148 HydrophobicContact CG2-CB 3.37Å; I145-F148 HydrophobicContact CG2-CD1 4.34Å; I145-F148 HydrophobicContact CG2-CG 3.84Å; P146-F148 PolarHBondContact O-N 3.05Å; F148-Y156 AromaticContact CE2-CE2 3.82Å; F148-Y156 HydrophobicContact CE2-CE2 3.82Å; F148-Y156 AromaticContact CZ-CE2 3.99Å; F148-Y156 HydrophobicContact CZ-CE2 3.99Å; F148-D157 WeakPolarHBondContact CD2-O 3.35Å; F148-Y158 HydrophobicContact CD2-CD2 4.35Å; F148-Y158 HydrophobicContact CE2-CD2 4.43Å; F148-P159 HydrophobicContact CB-CG 4.08Å; F148-Y194 PolarHBondContact O-OH 2.94Å
149	P	97.4	Very high	97.4	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.125	C	C	.	.	S	Bend	cis	-73.8	169.4	-19.8	32.5	-37.3	0	0	0	112.1	L91 I109 P115 L130 Y194	L91-P149 HydrophobicContact CD1-CB 3.84Å; L91-P149 HydrophobicContact CD1-CG 4.28Å; I109-P149 HydrophobicContact CD1-CG 4.47Å; I109-P149 HydrophobicContact CG2-CG 3.68Å; P115-P149 WeakPolarHBondContact CG-O 3.31Å; L130-P149 HydrophobicContact CD2-CG 4.37Å; P149-Y194 VanDerWaalsContact CD-OH 3.29Å; P149-Y194 WeakPolarHBondContact CD-OH 3.36Å; P149-Y194 PolarHBondContact O-OH 2.88Å
150	P	97.1	Very high	97.2	Very high	11 Å²	11	28.3 Å²	28.3	7%	0.071	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-55.7	161.5	161.2	-21.3	32.5	0	0	0	111.8	E154 D157	P150-E154 HydrophobicContact CB-CB 3.78Å; P150-D157 WeakPolarHBondContact CD-O 3.43Å; P150-D157 HydrophobicContact CG-CB 3.8Å
151	I	96.9	Very high	96.8	Very high	53 Å²	53	32 Å²	32	27%	0.272	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-62.3	152.1	170.9	62.3	175.9	0	0	0	110.1	E153 E154 Y194	I151-E153 WeakPolarHBondContact CB-OE2 3.2Å; I151-E153 HydrophobicContact CD1-CB 4.39Å; I151-E153 WeakPolarHBondContact CD1-OE2 3.26Å; I151-E153 HydrophobicContact CG1-CB 4.36Å; I151-E153 VanDerWaalsContact CG1-OE2 3.32Å; I151-E153 WeakPolarHBondContact CG1-OE2 3.46Å; I151-E153 PolarHBondContact O-N 3.42Å; I151-E154 HydrophobicContact CD1-CG 4.4Å; I151-E154 HydrophobicContact CG1-CB 4.46Å; I151-E154 HydrophobicContact CG1-CG 3.78Å; I151-E154 PolarHBondContact O-N 2.77Å; I151-Y194 HydrophobicContact CG2-CD2 3.93Å; I151-Y194 HydrophobicContact CG2-CE2 4.05Å
152	P	96.6	Very high	96.5	Very high	7 Å²	7	31.9 Å²	31.9	5%	0.045	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-53.1	-33.2	-172	-29.3	37	0	0	0	115.2	L94 Y95 Y98 Y107 I109 E154 G155 S195	L94-P152 HydrophobicContact CD1-CG 4.31Å; L94-P152 HydrophobicContact CD2-CG 4.34Å; L94-P152 HydrophobicContact CG-CG 4.29Å; Y95-P152 HydrophobicContact CD1-CB 4.27Å; Y95-P152 WeakPolarHBondContact CD1-O 3.49Å; Y98-P152 HydrophobicContact CD1-CB 3.92Å; Y98-P152 HydrophobicContact CD2-CB 3.56Å; Y98-P152 HydrophobicContact CD2-CG 3.98Å; Y98-P152 HydrophobicContact CE2-CB 4.21Å; Y98-P152 HydrophobicContact CG-CB 3.41Å; Y98-P152 VanDerWaalsContact CG-CB 3.41Å; Y98-P152 HydrophobicContact CG-CG 4.27Å; Y107-P152 HydrophobicContact CE2-CG 3.92Å; I109-P152 HydrophobicContact CD1-CG 4.03Å; P152-E154 PolarHBondContact O-N 3.36Å; P152-G155 PolarHBondContact O-N 3.14Å; P152-S195 WeakPolarHBondContact CD-OG 3.32Å
153	E	96.3	Very high	96.3	Very high	100 Å²	100	36 Å²	36	47%	0.467	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-59.1	-28.5	177.5	-63.5	82.6	173.8	0	0	113.5	Y98 I151	Y98-E153 HydrophobicContact CE1-CG 3.84Å; Y98-E153 HydrophobicContact CE2-CG 4.38Å; Y98-E153 WeakPolarHBondContact CE2-OE1 3.25Å; Y98-E153 WeakPolarHBondContact OH-CG 3.46Å; Y98-E153 PolarHBondContact OH-OE1 2.95Å; I151-E153 WeakPolarHBondContact CB-OE2 3.2Å; I151-E153 HydrophobicContact CD1-CB 4.39Å; I151-E153 WeakPolarHBondContact CD1-OE2 3.26Å; I151-E153 HydrophobicContact CG1-CB 4.36Å; I151-E153 VanDerWaalsContact CG1-OE2 3.32Å; I151-E153 WeakPolarHBondContact CG1-OE2 3.46Å; I151-E153 PolarHBondContact O-N 3.42Å
154	E	96.4	Very high	96.1	Very high	87 Å²	87	43.6 Å²	43.6	41%	0.407	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-92.6	-8.9	-176.2	-61.9	-179.3	-168.3	0	0	112.6	K116 P150 I151 P152	K116-E154 WeakPolarHBondContact CE-OE2 3.48Å; K116-E154 IonicContact NZ-OE1 3.73Å; K116-E154 PolarHBondContact NZ-OE1 2.9Å; K116-E154 IonicContact NZ-OE2 2.76Å; K116-E154 PolarHBondContact NZ-OE2 3.29Å; P150-E154 HydrophobicContact CB-CB 3.78Å; I151-E154 HydrophobicContact CD1-CG 4.4Å; I151-E154 HydrophobicContact CG1-CB 4.46Å; I151-E154 HydrophobicContact CG1-CG 3.78Å; I151-E154 PolarHBondContact O-N 2.77Å; P152-E154 PolarHBondContact O-N 3.36Å
155	G	96.8	Very high	96	Very high	19 Å²	19	44.3 Å²	44.3	20%	0.196	22%	0.223	C	C	.	.			trans	71.5	-163.4	-178.1	0	0	0	0	0	114	Y95 P152	Y95-G155 VanDerWaalsContact CZ-C 3.4Å; Y95-G155 PolarHBondContact OH-O 3.38Å; P152-G155 PolarHBondContact O-N 3.14Å
156	Y	98	Very high	96	Very high	29 Å²	29	44.3 Å²	44.3	11%	0.114	22%	0.223	C	C	.	.			trans	-80.8	122.2	-178.4	-172.5	-103.1	0	0	0	111.7	M80 T82 T83 S85 L87 L91 Y95 F148	M80-Y156 PolarHBondContact O-OH 3.44Å; T82-Y156 VanDerWaalsContact O-CE1 3.23Å; T82-Y156 WeakPolarHBondContact O-CE1 3.4Å; T83-Y156 HydrophobicContact CG2-CD1 4.23Å; S85-Y156 PolarHBondContact OG-OH 2.97Å; L87-Y156 HydrophobicContact CB-CE2 4Å; L87-Y156 WeakPolarHBondContact CB-OH 3.49Å; L91-Y156 HydrophobicContact CB-CD2 4.3Å; L91-Y156 HydrophobicContact CD1-CD2 3.94Å; L91-Y156 HydrophobicContact CD1-CE2 3.94Å; Y95-Y156 HydrophobicContact CE2-CD2 4.49Å; Y95-Y156 VanDerWaalsContact OH-CA 3.25Å; Y95-Y156 WeakPolarHBondContact OH-CA 3.22Å; Y95-Y156 PolarHBondContact OH-N 3.35Å; F148-Y156 AromaticContact CE2-CE2 3.82Å; F148-Y156 HydrophobicContact CE2-CE2 3.82Å; F148-Y156 AromaticContact CZ-CE2 3.99Å; F148-Y156 HydrophobicContact CZ-CE2 3.99Å
157	D	97.1	Very high	96.1	Very high	82 Å²	82	43 Å²	43	44%	0.439	21%	0.214	S	C	.	.			trans	-144.4	151.2	164.2	-172.1	29.8	0	0	0	110.2	F148 P150	F148-D157 WeakPolarHBondContact CD2-O 3.35Å; P150-D157 WeakPolarHBondContact CD-O 3.43Å; P150-D157 HydrophobicContact CG-CB 3.8Å
158	Y	97.6	Very high	96.1	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.008	20%	0.201	C	C	.	.			trans	-110.6	123.9	175.7	-174.8	-87.2	0	0	0	109.8	K47 L61 M80 I145 F148 G162 Q167	K47-Y158 HydrophobicContact CD-CE1 4.13Å; K47-Y158 HydrophobicContact CD-CE2 4.47Å; K47-Y158 WeakPolarHBondContact CD-OH 3.4Å; K47-Y158 WeakPolarHBondContact CE-OH 3.21Å; L61-Y158 HydrophobicContact CD2-CD1 3.5Å; L61-Y158 VanDerWaalsContact CD2-CD1 3.5Å; L61-Y158 HydrophobicContact CD2-CE1 3.77Å; L61-Y158 HydrophobicContact CD2-CG 4.36Å; M80-Y158 HydrophobicContact CB-CD2 4.27Å; M80-Y158 HydrophobicContact CB-CE2 4.41Å; M80-Y158 HydrophobicContact CG-CD2 3.59Å; M80-Y158 HydrophobicContact CG-CE2 3.63Å; M80-Y158 HydrophobicContact CG-CG 4.31Å; I145-Y158 HydrophobicContact CD1-CE2 3.97Å; I145-Y158 HydrophobicContact CG1-CE2 4.26Å; I145-Y158 HydrophobicContact CG2-CE2 3.77Å; F148-Y158 HydrophobicContact CD2-CD2 4.35Å; F148-Y158 HydrophobicContact CE2-CD2 4.43Å; Y158-G162 PolarHBondContact OH-O 2.81Å; Y158-Q167 PolarHBondContact OH-OE1 2.92Å
159	P	95.9	Very high	96.2	Very high	7 Å²	7	40.1 Å²	40.1	5%	0.045	20%	0.201	C	C	.	.			trans	-63.8	134.8	-167.5	24.7	-34.5	0	0	0	111.5	I145 P146 Q147 F148 T161 G162	I145-P159 HydrophobicContact CG2-CG 3.79Å; P146-P159 VanDerWaalsContact O-CG 3.29Å; P146-P159 WeakPolarHBondContact O-CG 3.5Å; Q147-P159 HydrophobicContact CB-CB 4.07Å; Q147-P159 HydrophobicContact CB-CG 4.49Å; F148-P159 HydrophobicContact CB-CG 4.08Å; P159-T161 PolarHBondContact O-N 3.12Å; P159-T161 VanDerWaalsContact O-N 3.13Å; P159-G162 WeakPolarHBondContact O-CA 3.43Å; P159-G162 PolarHBondContact O-N 3.16Å
160	P	93.5	Very high	96.3	Very high	92 Å²	92	40.3 Å²	40.3	60%	0.597	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-55.3	-33.1	176.5	-27.7	34.8	0	0	0	113.4	G162 R163	P160-G162 PolarHBondContact O-N 3.49Å; P160-R163 WeakPolarHBondContact O-CB 3.27Å; P160-R163 WeakPolarHBondContact O-CG 3.38Å; P160-R163 PolarHBondContact O-N 3.26Å
161	T	91.6	Very high	96.3	Very high	81 Å²	81	39.8 Å²	39.8	50%	0.497	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-64.3	-26.4	176.3	56.1	0	0	0	0	112.7	Q147 P159 R163	Q147-T161 PolarHBondContact OE1-OG1 2.88Å; P159-T161 PolarHBondContact O-N 3.12Å; P159-T161 VanDerWaalsContact O-N 3.13Å; T161-R163 VanDerWaalsContact C-N 3.26Å; T161-R163 PolarHBondContact O-N 3.34Å
162	G	93.2	Very high	96.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-69.4	-17.5	176.7	0	0	0	0	0	114.1	K47 Y158 P159 P160 R164	K47-G162 WeakPolarHBondContact CE-O 3.36Å; K47-G162 PolarHBondContact NZ-O 3.2Å; K47-G162 VanDerWaalsContact NZ-O 3.1Å; Y158-G162 PolarHBondContact OH-O 2.81Å; P159-G162 WeakPolarHBondContact O-CA 3.43Å; P159-G162 PolarHBondContact O-N 3.16Å; P160-G162 PolarHBondContact O-N 3.49Å; G162-R164 VanDerWaalsContact C-N 3.34Å; G162-R164 PolarHBondContact O-N 3.48Å
163	R	94.8	Very high	96.6	Very high	90 Å²	90	37.2 Å²	37.2	34%	0.34	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-67.3	-33	-177	-62.3	-175.1	-173.2	-167.4	2.8	113.6	K47 K50 G60 L61 P160 T161	K47-R163 PolarHBondContact NZ-O 2.82Å; K50-R163 WeakPolarHBondContact CB-O 3.33Å; K50-R163 PolarHBondContact N-O 3.3Å; K50-R163 VanDerWaalsContact N-O 3.13Å; G60-R163 WeakPolarHBondContact CA-O 3.02Å; G60-R163 WeakPolarHBondContact O-CA 3.38Å; L61-R163 HydrophobicContact CD2-CG 3.79Å; L61-R163 HydrophobicContact CG-CG 4.09Å; P160-R163 WeakPolarHBondContact O-CB 3.27Å; P160-R163 WeakPolarHBondContact O-CG 3.38Å; P160-R163 PolarHBondContact O-N 3.26Å; T161-R163 VanDerWaalsContact C-N 3.26Å; T161-R163 PolarHBondContact O-N 3.34Å
164	R	93.9	Very high	96.7	Very high	162 Å²	162	32.5 Å²	32.5	61%	0.611	16%	0.163	S	C	*	.	S	Bend	trans	-64.5	-49	-167.4	-175.1	179.8	177.1	171.7	1.8	113.2	P49 K50 G162	P49-R164 WeakPolarHBondContact CB-O 3.32Å; K50-R164 PolarHBondContact N-O 2.77Å; G162-R164 VanDerWaalsContact C-N 3.34Å; G162-R164 PolarHBondContact O-N 3.48Å
165	N	95.4	Very high	96.8	Very high	18 Å²	18	32.2 Å²	32.2	10%	0.096	16%	0.16	C	C	.	.	S	Bend	trans	-110.2	159.9	-170.7	-64.3	-36.8	0	0	0	111.4	K47 Q303 H305	K47-N165 WeakPolarHBondContact CE-O 3.03Å; K47-N165 PolarHBondContact NZ-O 3.01Å; N165-Q303 CarbonylContact C-O 3.47Å; N165-Q303 WeakPolarHBondContact CA-O 3.03Å; N165-Q303 WeakPolarHBondContact CB-O 3.48Å; N165-H305 HydrophobicContact CB-CB 4.37Å; N165-H305 PolarHBondContact ND2-CD2 2.89Å; N165-H305 VanDerWaalsContact ND2-CD2 3.31Å; N165-H305 PolarHBondContact ND2-CE1 3.21Å; N165-H305 PolarHBondContact ND2-NE2 2.76Å
166	G	96.9	Very high	96.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-59.7	146.7	168.7	0	0	0	0	0	110.6	K47 Q303 D304 H305 A306	K47-G166 CarbonylContact O-C 3.52Å; K47-G166 WeakPolarHBondContact O-CA 3.2Å; G166-Q303 PolarHBondContact N-O 2.99Å; G166-D304 WeakPolarHBondContact CA-OD1 3.39Å; G166-H305 WeakPolarHBondContact O-CA 3.27Å; G166-H305 WeakPolarHBondContact O-CB 3.44Å; G166-H305 PolarHBondContact O-N 2.86Å; G166-A306 PolarHBondContact O-N 2.76Å
167	Q	97.8	Very high	96.8	Very high	2 Å²	2	37 Å²	37	1%	0.009	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	151.1	177	-68.5	-175.8	-6.4	0	0	109.9	Y46 K47 S144 I145 P146 Y158 H305	Y46-Q167 CarbonylContact C-O 3.29Å; Y46-Q167 WeakPolarHBondContact CA-O 3.47Å; K47-Q167 HydrophobicContact CB-CB 4.38Å; K47-Q167 PolarHBondContact N-O 2.72Å; K47-Q167 PolarHBondContact O-N 2.03Å; S144-Q167 WeakPolarHBondContact OG-CA 3.34Å; S144-Q167 WeakPolarHBondContact OG-CB 3.5Å; I145-Q167 VanDerWaalsContact CA-OE1 3.24Å; I145-Q167 HydrophobicContact CG1-CB 4.48Å; P146-Q167 VanDerWaalsContact CD-NE2 3.31Å; Y158-Q167 PolarHBondContact OH-OE1 2.92Å; Q167-H305 HydrophobicContact CG-CB 4.13Å
168	S	98.2	Very high	96.9	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.007	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	162.8	-179.6	64.9	0	0	0	0	110.7	F45 H143 S144 A306	F45-S168 WeakPolarHBondContact O-CA 3.36Å; H143-S168 WeakPolarHBondContact CA-O 3.49Å; S144-S168 PolarHBondContact N-O 2.89Å; S144-S168 PolarHBondContact OG-N 3.13Å; S144-S168 VanDerWaalsContact OG-N 3.12Å; S144-S168 PolarHBondContact OG-O 2.96Å; S168-A306 WeakPolarHBondContact OG-CB 3.2Å
169	G	98.6	Very high	97	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167	173.4	169.2	0	0	0	0	0	112.3	T44 F45 I142	T44-G169 VanDerWaalsContact CA-O 3.28Å; T44-G169 WeakPolarHBondContact CA-O 3.04Å; T44-G169 WeakPolarHBondContact CB-O 3.49Å; T44-G169 PolarHBondContact OG1-O 3.4Å; F45-G169 VanDerWaalsContact CE1-CA 3.43Å; F45-G169 PolarHBondContact N-O 3.26Å; F45-G169 VanDerWaalsContact N-O 3.11Å; F45-G169 PolarHBondContact O-N 3.05Å; I142-G169 CarbonylContact O-C 3.35Å; I142-G169 WeakPolarHBondContact O-CA 3.22Å
170	I	98.9	Very high	97.1	Very high	4 Å²	4	40.1 Å²	40.1	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	131.8	177.6	-172.7	173.4	0	0	0	109	F43 L141 I142 I172 F237 I322 I339	F43-I170 CarbonylContact O-C 3.57Å; F43-I170 VanDerWaalsContact O-CA 3.32Å; F43-I170 WeakPolarHBondContact O-CA 3.4Å; F43-I170 WeakPolarHBondContact O-CG1 3.5Å; L141-I170 WeakPolarHBondContact CA-O 3.36Å; I142-I170 HydrophobicContact CB-CG2 4.22Å; I142-I170 PolarHBondContact N-O 2.82Å; I142-I170 PolarHBondContact O-N 3.47Å; I170-I172 HydrophobicContact CD1-CD1 4.06Å; I170-I172 HydrophobicContact CD1-CG1 4.05Å; I170-I172 HydrophobicContact CG1-CD1 4.39Å; I170-I172 HydrophobicContact CG1-CG1 3.96Å; I170-F237 HydrophobicContact CD1-CE1 4.05Å; I170-I322 HydrophobicContact CB-CD1 4.06Å; I170-I322 HydrophobicContact CD1-CD1 4.4Å; I170-I322 HydrophobicContact CG2-CB 4.26Å; I170-I322 HydrophobicContact CG2-CD1 4.43Å; I170-I322 HydrophobicContact CG2-CG2 4.3Å; I170-I339 HydrophobicContact CD1-CG2 4.44Å; I170-I339 HydrophobicContact CG2-CG2 3.52Å
171	C	98.9	Very high	97.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	132.9	168.9	-176.9	0	0	0	0	108	C32 W42 F43 W140 L141	C32-C171 VanDerWaalsContact CA-SG 3.58Å; C32-C171 HydrophobicContact CB-CB 3.97Å; C32-C171 WeakPolarHBondContact CB-SG 3.43Å; C32-C171 WeakPolarHBondContact SG-CB 3.48Å; C32-C171 PolarHBondContact SG-O 2.89Å; C32-C171 CovalentContact SG-SG 2.04Å; C32-C171 PolarHBondContact SG-SG 2.87Å; W42-C171 CarbonylContact C-O 3.52Å; W42-C171 WeakPolarHBondContact CA-O 3.2Å; W42-C171 VanDerWaalsContact CB-O 3.27Å; W42-C171 WeakPolarHBondContact CB-O 3.49Å; F43-C171 HydrophobicContact CD1-CB 3.75Å; F43-C171 HydrophobicContact CD2-CB 4.12Å; F43-C171 HydrophobicContact CE1-CB 3.27Å; F43-C171 HydrophobicContact CE2-CB 3.69Å; F43-C171 HydrophobicContact CG-CB 4.14Å; F43-C171 HydrophobicContact CZ-CB 3.24Å; F43-C171 PolarHBondContact N-O 3.48Å; F43-C171 PolarHBondContact O-N 2.77Å; W140-C171 WeakPolarHBondContact O-CA 3.37Å; L141-C171 HydrophobicContact CD1-CB 3.84Å
172	I	98.9	Very high	97.7	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.7	174.4	-52.7	167.8	0	0	0	108.9	C32 W42 F139 W140 I170 F174 F237 I339	C32-I172 PolarHBondContact SG-N 2.86Å; W42-I172 HydrophobicContact CB-CB 4.49Å; W42-I172 HydrophobicContact CB-CG1 4.16Å; W42-I172 HydrophobicContact CB-CG2 4.49Å; F139-I172 CarbonylContact C-O 3.51Å; F139-I172 WeakPolarHBondContact CA-O 3.22Å; F139-I172 WeakPolarHBondContact CB-O 3.41Å; W140-I172 PolarHBondContact N-O 3.02Å; W140-I172 PolarHBondContact O-N 2.82Å; I170-I172 HydrophobicContact CD1-CD1 4.06Å; I170-I172 HydrophobicContact CD1-CG1 4.05Å; I170-I172 HydrophobicContact CG1-CD1 4.39Å; I170-I172 HydrophobicContact CG1-CG1 3.96Å; I172-F174 HydrophobicContact CB-CD2 4.21Å; I172-F174 HydrophobicContact CB-CE1 4.4Å; I172-F174 HydrophobicContact CB-CE2 3.55Å; I172-F174 HydrophobicContact CB-CZ 3.67Å; I172-F174 HydrophobicContact CD1-CE2 4.3Å; I172-F174 HydrophobicContact CD1-CZ 3.87Å; I172-F174 HydrophobicContact CG1-CZ 4.4Å; I172-F174 HydrophobicContact CG2-CD1 4.12Å; I172-F174 HydrophobicContact CG2-CD2 4.16Å; I172-F174 HydrophobicContact CG2-CE1 3.62Å; I172-F174 HydrophobicContact CG2-CE2 3.67Å; I172-F174 HydrophobicContact CG2-CG 4.38Å; I172-F174 HydrophobicContact CG2-CZ 3.37Å; I172-F174 WeakPolarHBondContact O-CD2 3.19Å; I172-F237 HydrophobicContact CD1-CD1 3.68Å; I172-F237 HydrophobicContact CD1-CD2 4.13Å; I172-F237 HydrophobicContact CD1-CE1 3.58Å; I172-F237 HydrophobicContact CD1-CE2 4.05Å; I172-F237 HydrophobicContact CD1-CG 3.96Å; I172-F237 HydrophobicContact CD1-CZ 3.76Å; I172-F237 HydrophobicContact CG1-CE1 4.24Å; I172-F237 HydrophobicContact CG1-CE2 4.46Å; I172-F237 HydrophobicContact CG1-CZ 4.06Å; I172-F237 HydrophobicContact CG2-CD2 4.43Å; I172-F237 HydrophobicContact CG2-CE2 3.93Å; I172-F237 HydrophobicContact CG2-CZ 4.29Å; I172-I339 HydrophobicContact CD1-CD1 3.34Å; I172-I339 HydrophobicContact CD1-CG1 4.07Å
173	T	98.9	Very high	97.9	Very high	4 Å²	4	33.4 Å²	33.4	3%	0.025	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	125.2	171.5	-57.3	0	0	0	0	108.4	C32 V40 D41 G138 S231 A232	C32-T173 PolarHBondContact N-OG1 3.01Å; C32-T173 PolarHBondContact SG-N 2.95Å; V40-T173 PolarHBondContact O-OG1 3.48Å; D41-T173 WeakPolarHBondContact O-CB 3.17Å; D41-T173 PolarHBondContact O-N 2.02Å; G138-T173 CarbonylContact O-C 3.5Å; G138-T173 VanDerWaalsContact O-CA 3.32Å; G138-T173 WeakPolarHBondContact O-CA 3.27Å; T173-S231 CarbonylContact O-C 3.53Å; T173-S231 VanDerWaalsContact O-CA 3.3Å; T173-S231 WeakPolarHBondContact O-CA 3.18Å; T173-S231 WeakPolarHBondContact O-CB 3.03Å; T173-A232 HydrophobicContact CG2-CB 3.77Å; T173-A232 PolarHBondContact O-N 3.11Å
174	F	98.8	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.7	-178.8	-71.7	-66.2	0	0	0	110.8	Q137 G138 W140 I172 Q178 Y179 I182 L229 Q230 I339	Q137-F174 CarbonylContact C-O 3.5Å; Q137-F174 WeakPolarHBondContact CA-O 3.11Å; Q137-F174 WeakPolarHBondContact CB-O 3.29Å; G138-F174 PolarHBondContact N-O 2.81Å; G138-F174 PolarHBondContact O-N 3.47Å; W140-F174 HydrophobicContact CB-CD2 4.08Å; W140-F174 HydrophobicContact CB-CE2 3.95Å; W140-F174 HydrophobicContact CE3-CE2 4.13Å; I172-F174 HydrophobicContact CB-CD2 4.21Å; I172-F174 HydrophobicContact CB-CE1 4.4Å; I172-F174 HydrophobicContact CB-CE2 3.55Å; I172-F174 HydrophobicContact CB-CZ 3.67Å; I172-F174 HydrophobicContact CD1-CE2 4.3Å; I172-F174 HydrophobicContact CD1-CZ 3.87Å; I172-F174 HydrophobicContact CG1-CZ 4.4Å; I172-F174 HydrophobicContact CG2-CD1 4.12Å; I172-F174 HydrophobicContact CG2-CD2 4.16Å; I172-F174 HydrophobicContact CG2-CE1 3.62Å; I172-F174 HydrophobicContact CG2-CE2 3.67Å; I172-F174 HydrophobicContact CG2-CG 4.38Å; I172-F174 HydrophobicContact CG2-CZ 3.37Å; I172-F174 WeakPolarHBondContact O-CD2 3.19Å; F174-Q178 HydrophobicContact CB-CB 4.13Å; F174-Q178 HydrophobicContact CB-CG 4.33Å; F174-Q178 HydrophobicContact CD1-CB 4.13Å; F174-Q178 HydrophobicContact CD1-CG 4.01Å; F174-Q178 HydrophobicContact CG-CB 4.35Å; F174-Y179 HydrophobicContact CB-CE2 3.98Å; F174-I182 HydrophobicContact CD2-CD1 3.79Å; F174-I182 HydrophobicContact CE2-CD1 4.11Å; F174-I182 HydrophobicContact CG-CD1 4.13Å; F174-L229 HydrophobicContact CE1-CB 3.84Å; F174-L229 HydrophobicContact CE1-CD1 4.48Å; F174-L229 HydrophobicContact CZ-CB 4.22Å; F174-L229 HydrophobicContact CZ-CD1 4.12Å; F174-Q230 VanDerWaalsContact CD1-O 3.3Å; F174-Q230 WeakPolarHBondContact CD1-O 3.45Å; F174-I339 HydrophobicContact CZ-CD1 4.41Å
175	K	98.6	Very high	98.3	Very high	81 Å²	81	23.3 Å²	23.3	35%	0.352	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	154.8	164.9	-64.7	-55.3	-174	-179.3	0	110	Q137 N177 Q178 A232	Q137-K175 HydrophobicContact CB-CD 4.09Å; K175-N177 WeakPolarHBondContact CB-OD1 3.37Å; K175-N177 PolarHBondContact O-N 2.98Å; K175-N177 VanDerWaalsContact O-N 3.14Å; K175-Q178 WeakPolarHBondContact O-CB 3.15Å; K175-Q178 PolarHBondContact O-N 3.35Å; K175-A232 HydrophobicContact CD-CB 4.14Å; K175-A232 HydrophobicContact CG-CB 4.29Å
176	Y	98.2	Very high	98.4	Very high	31 Å²	31	22.5 Å²	22.5	12%	0.122	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-55.9	-34.1	-176.4	-178.1	-104.4	0	0	0	113.3	W133 N134 R135 V136 Q178 Y179 F202 L206	W133-Y176 AromaticContact CD1-CD2 3.87Å; W133-Y176 AromaticContact CD1-CE2 3.76Å; W133-Y176 AromaticContact NE1-CE2 3.92Å; N134-Y176 WeakPolarHBondContact O-CD2 3.04Å; R135-Y176 PolarHBondContact NH1-OH 3.16Å; R135-Y176 WeakPolarHBondContact O-CB 3.47Å; V136-Y176 PolarHBondContact O-N 3.36Å; Y176-Q178 PolarHBondContact O-N 3.23Å; Y176-Y179 HydrophobicContact CD2-CD2 4.45Å; Y176-Y179 WeakPolarHBondContact O-CB 3.19Å; Y176-Y179 PolarHBondContact O-N 2.89Å; Y176-F202 HydrophobicContact CD2-CE1 4.49Å; Y176-F202 AromaticContact CE2-CD1 3.66Å; Y176-F202 HydrophobicContact CE2-CD1 3.66Å; Y176-F202 AromaticContact CE2-CE1 3.79Å; Y176-F202 HydrophobicContact CE2-CE1 3.79Å; Y176-F202 AromaticContact CZ-CD1 3.96Å; Y176-L206 HydrophobicContact CE2-CD1 4.45Å
177	N	97.9	Very high	98.4	Very high	117 Å²	117	23.1 Å²	23.1	63%	0.626	12%	0.12	S	C	*	.	G	3₁₀ helix	trans	-61.9	-11.7	178	71.7	-13.1	0	0	0	114.9	K175	K175-N177 WeakPolarHBondContact CB-OD1 3.37Å; K175-N177 PolarHBondContact O-N 2.98Å; K175-N177 VanDerWaalsContact O-N 3.14Å
178	Q	98.7	Very high	98.4	Very high	28 Å²	28	23 Å²	23	13%	0.131	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-86.1	-15.3	173.9	-56	-59.8	-69.4	0	0	112.6	F174 K175 Y176 E180 A181 I182 Q230	F174-Q178 HydrophobicContact CB-CB 4.13Å; F174-Q178 HydrophobicContact CB-CG 4.33Å; F174-Q178 HydrophobicContact CD1-CB 4.13Å; F174-Q178 HydrophobicContact CD1-CG 4.01Å; F174-Q178 HydrophobicContact CG-CB 4.35Å; K175-Q178 WeakPolarHBondContact O-CB 3.15Å; K175-Q178 PolarHBondContact O-N 3.35Å; Y176-Q178 PolarHBondContact O-N 3.23Å; Q178-E180 PolarHBondContact O-N 2.92Å; Q178-A181 WeakPolarHBondContact O-CB 3.28Å; Q178-A181 PolarHBondContact O-N 2.88Å; Q178-I182 HydrophobicContact CB-CD1 4.43Å; Q178-I182 WeakPolarHBondContact O-CG1 3.04Å; Q178-I182 PolarHBondContact O-N 2.57Å; Q178-I182 VanDerWaalsContact O-N 3.11Å; Q178-Q230 WeakPolarHBondContact CG-O 3.3Å
179	Y	98.6	Very high	98.3	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-71.5	-27.4	-169.9	-83.7	-102.1	0	0	0	113.5	L131 W133 G138 F139 F174 Y176 I182 D183	L131-Y179 HydrophobicContact CB-CE1 4.46Å; L131-Y179 HydrophobicContact CD2-CD1 4.44Å; L131-Y179 HydrophobicContact CD2-CE1 3.89Å; W133-Y179 HydrophobicContact CB-CD1 4.18Å; W133-Y179 HydrophobicContact CB-CE1 3.46Å; W133-Y179 VanDerWaalsContact CB-CE1 3.46Å; W133-Y179 HydrophobicContact CB-CE2 3.9Å; W133-Y179 WeakPolarHBondContact CB-OH 3.49Å; W133-Y179 AromaticContact CD2-CD1 3.76Å; W133-Y179 HydrophobicContact CD2-CD1 3.76Å; W133-Y179 AromaticContact CD2-CE1 3.5Å; W133-Y179 HydrophobicContact CD2-CE1 3.5Å; W133-Y179 HydrophobicContact CE3-CD1 4.26Å; W133-Y179 AromaticContact CE3-CE1 3.71Å; W133-Y179 HydrophobicContact CE3-CE1 3.71Å; W133-Y179 AromaticContact CG-CD1 3.74Å; W133-Y179 HydrophobicContact CG-CD1 3.74Å; W133-Y179 AromaticContact CG-CE1 3.43Å; W133-Y179 HydrophobicContact CG-CE1 3.43Å; W133-Y179 VanDerWaalsContact CG-CE1 3.43Å; W133-Y179 HydrophobicContact CG-CE2 4.43Å; W133-Y179 HydrophobicContact CG-CG 4.38Å; W133-Y179 AromaticContact CG-CZ 3.83Å; G138-Y179 VanDerWaalsContact C-OH 3.23Å; G138-Y179 VanDerWaalsContact CA-OH 3.26Å; G138-Y179 WeakPolarHBondContact CA-OH 3.38Å; F139-Y179 PolarHBondContact N-OH 2.81Å; F139-Y179 PolarHBondContact O-OH 3.11Å; F174-Y179 HydrophobicContact CB-CE2 3.98Å; Y176-Y179 HydrophobicContact CD2-CD2 4.45Å; Y176-Y179 WeakPolarHBondContact O-CB 3.19Å; Y176-Y179 PolarHBondContact O-N 2.89Å; Y179-I182 CarbonylContact O-C 3.5Å; Y179-I182 PolarHBondContact O-N 3.04Å; Y179-D183 VanDerWaalsContact O-CB 3.28Å; Y179-D183 WeakPolarHBondContact O-CB 2.94Å; Y179-D183 PolarHBondContact O-N 3.49Å
180	E	98.3	Very high	98.2	Very high	129 Å²	129	24.4 Å²	24.4	60%	0.603	13%	0.127	S	C	*	.	H	α-helix	trans	-63.4	-42.8	172.2	-174.2	-179.6	178.2	0	0	111.2	Q178 I182 D183 S184	Q178-E180 PolarHBondContact O-N 2.92Å; E180-I182 VanDerWaalsContact C-N 3.33Å; E180-I182 PolarHBondContact O-N 2.77Å; E180-D183 VanDerWaalsContact O-CB 3.28Å; E180-D183 WeakPolarHBondContact O-CB 3.46Å; E180-D183 PolarHBondContact O-N 2.81Å; E180-S184 PolarHBondContact O-N 2.97Å; E180-S184 PolarHBondContact O-OG 2.56Å
181	A	98.6	Very high	98.1	Very high	28 Å²	28	24.3 Å²	24.3	23%	0.231	13%	0.127	C	C	.	.	H	α-helix	trans	-64.5	-37.3	173.6	0	0	0	0	0	112.3	Q178 Q185 T227 L229	Q178-A181 WeakPolarHBondContact O-CB 3.28Å; Q178-A181 PolarHBondContact O-N 2.88Å; A181-Q185 WeakPolarHBondContact O-CG 3.46Å; A181-Q185 PolarHBondContact O-N 2.89Å; A181-T227 HydrophobicContact CB-CG2 3.75Å; A181-L229 HydrophobicContact CB-CD2 3.68Å
182	I	98.8	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-70.4	-35.3	176.1	-61.8	167.9	0	0	0	110.8	L131 W140 F174 Q178 Y179 E180 Q185 L186 M209 L229	L131-I182 HydrophobicContact CD2-CG2 3.59Å; W140-I182 HydrophobicContact CD2-CG2 4.21Å; W140-I182 HydrophobicContact CE3-CD1 4.13Å; W140-I182 HydrophobicContact CE3-CG1 4.1Å; W140-I182 HydrophobicContact CE3-CG2 3.92Å; W140-I182 HydrophobicContact CH2-CG2 4.34Å; W140-I182 HydrophobicContact CZ3-CG1 4.2Å; W140-I182 HydrophobicContact CZ3-CG2 3.99Å; F174-I182 HydrophobicContact CD2-CD1 3.79Å; F174-I182 HydrophobicContact CE2-CD1 4.11Å; F174-I182 HydrophobicContact CG-CD1 4.13Å; Q178-I182 HydrophobicContact CB-CD1 4.43Å; Q178-I182 WeakPolarHBondContact O-CG1 3.04Å; Q178-I182 PolarHBondContact O-N 2.57Å; Q178-I182 VanDerWaalsContact O-N 3.11Å; Y179-I182 CarbonylContact O-C 3.5Å; Y179-I182 PolarHBondContact O-N 3.04Å; E180-I182 VanDerWaalsContact C-N 3.33Å; E180-I182 PolarHBondContact O-N 2.77Å; I182-Q185 PolarHBondContact O-N 3.42Å; I182-Q185 VanDerWaalsContact O-N 3.14Å; I182-L186 HydrophobicContact CG2-CD1 4.48Å; I182-L186 HydrophobicContact CG2-CG 4.36Å; I182-L186 WeakPolarHBondContact O-CG 3.32Å; I182-L186 PolarHBondContact O-N 2.9Å; I182-M209 HydrophobicContact CB-CE 4.08Å; I182-M209 HydrophobicContact CG2-CE 3.69Å; I182-L229 HydrophobicContact CG1-CD1 4.11Å; I182-L229 HydrophobicContact CG1-CD2 3.99Å
183	D	98.3	Very high	97.9	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.021	13%	0.132	C	C	.	.	H	α-helix	trans	-56.6	-51.3	176.2	-170.4	67.1	0	0	0	111.1	Y179 E180 Q185 L186 L187 L206 I207 H208 M209	Y179-D183 VanDerWaalsContact O-CB 3.28Å; Y179-D183 WeakPolarHBondContact O-CB 2.94Å; Y179-D183 PolarHBondContact O-N 3.49Å; E180-D183 VanDerWaalsContact O-CB 3.28Å; E180-D183 WeakPolarHBondContact O-CB 3.46Å; E180-D183 PolarHBondContact O-N 2.81Å; D183-Q185 VanDerWaalsContact C-N 3.31Å; D183-Q185 PolarHBondContact O-N 3.2Å; D183-L186 PolarHBondContact O-N 3.19Å; D183-L187 PolarHBondContact O-N 2.94Å; D183-L187 VanDerWaalsContact O-N 3.12Å; D183-L206 HydrophobicContact CB-CD2 4.25Å; D183-I207 PolarHBondContact OD2-N 3.26Å; D183-H208 PolarHBondContact OD1-N 3.07Å; D183-H208 WeakPolarHBondContact OD2-CB 3.28Å; D183-H208 IonicContact OD2-CD2 3.51Å; D183-H208 PolarHBondContact OD2-CD2 3.31Å; D183-H208 IonicContact OD2-CG 3.84Å; D183-H208 PolarHBondContact OD2-N 2.7Å; D183-M209 VanDerWaalsContact CA-CE 3.48Å; D183-M209 HydrophobicContact CB-CE 4.03Å; D183-M209 VanDerWaalsContact OD1-CB 3.27Å; D183-M209 WeakPolarHBondContact OD1-CB 3.49Å; D183-M209 WeakPolarHBondContact OD1-CG 3.2Å; D183-M209 PolarHBondContact OD1-N 3.23Å
184	S	97.9	Very high	97.7	Very high	41 Å²	41	27.1 Å²	27.1	29%	0.287	14%	0.139	S	C	.	.	H	α-helix	trans	-63.8	-34.2	175.2	-50.6	0	0	0	0	113	E180 L187 V188	E180-S184 PolarHBondContact O-N 2.97Å; E180-S184 PolarHBondContact O-OG 2.56Å; S184-L187 WeakPolarHBondContact O-CB 3.28Å; S184-L187 PolarHBondContact O-N 3.25Å; S184-V188 PolarHBondContact O-N 3.05Å
185	Q	98.6	Very high	97.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-69.1	-39.3	177.4	-68.9	-75.1	49.3	0	0	112	A181 I182 D183 L187 V188 C189 L225 T227 H239	A181-Q185 WeakPolarHBondContact O-CG 3.46Å; A181-Q185 PolarHBondContact O-N 2.89Å; I182-Q185 PolarHBondContact O-N 3.42Å; I182-Q185 VanDerWaalsContact O-N 3.14Å; D183-Q185 VanDerWaalsContact C-N 3.31Å; D183-Q185 PolarHBondContact O-N 3.2Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; Q185-V188 PolarHBondContact O-N 3.03Å; Q185-C189 PolarHBondContact O-N 3.26Å; Q185-C189 PolarHBondContact O-SG 3.21Å; Q185-L225 HydrophobicContact CG-CD2 4.46Å; Q185-L225 PolarHBondContact OE1-O 3.3Å; Q185-T227 PolarHBondContact NE2-OG1 3.47Å; Q185-H239 VanDerWaalsContact CD-ND1 3.3Å; Q185-H239 PolarHBondContact NE2-ND1 3.25Å; Q185-H239 PolarHBondContact NE2-O 3.38Å
186	L	97.9	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-67.5	-33.4	175.8	-69	-174.6	0	0	0	112.1	L108 Y110 L131 W140 I182 D183 V188 C189 N190 P191 M209 L212	L108-L186 HydrophobicContact CD1-CD1 4.32Å; Y110-L186 HydrophobicContact CE1-CD2 4.27Å; L131-L186 HydrophobicContact CD1-CD1 3.68Å; L131-L186 HydrophobicContact CD2-CD1 4.43Å; W140-L186 HydrophobicContact CZ2-CD2 4Å; I182-L186 HydrophobicContact CG2-CD1 4.48Å; I182-L186 HydrophobicContact CG2-CG 4.36Å; I182-L186 WeakPolarHBondContact O-CG 3.32Å; I182-L186 PolarHBondContact O-N 2.9Å; D183-L186 PolarHBondContact O-N 3.19Å; L186-V188 VanDerWaalsContact C-N 3.33Å; L186-V188 PolarHBondContact O-N 3.01Å; L186-C189 PolarHBondContact O-N 2.82Å; L186-N190 PolarHBondContact O-N 3.42Å; L186-P191 HydrophobicContact CB-CG 4.46Å; L186-P191 HydrophobicContact CD2-CG 4.46Å; L186-P191 WeakPolarHBondContact O-CD 3.43Å; L186-M209 HydrophobicContact CD1-CE 3.66Å; L186-M209 HydrophobicContact CD1-CG 3.85Å; L186-M209 HydrophobicContact CD1-SD 3.83Å; L186-M209 HydrophobicContact CG-CE 4.39Å; L186-L212 HydrophobicContact CB-CD1 4.25Å
187	L	96.8	Very high	97.5	Very high	13 Å²	13	26.6 Å²	26.6	7%	0.068	15%	0.149	C	C	.	.	H	α-helix	trans	-54.5	-50.3	170.3	179	68.1	0	0	0	111.3	D183 S184 Q185 N190 H208 I221	D183-L187 PolarHBondContact O-N 2.94Å; D183-L187 VanDerWaalsContact O-N 3.12Å; S184-L187 WeakPolarHBondContact O-CB 3.28Å; S184-L187 PolarHBondContact O-N 3.25Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; L187-N190 PolarHBondContact O-N 3.35Å; L187-H208 HydrophobicContact CB-CB 3.98Å; L187-H208 HydrophobicContact CD1-CB 4.42Å; L187-I221 HydrophobicContact CD1-CG1 4.25Å; L187-I221 HydrophobicContact CG-CG1 4.48Å
188	V	97.6	Very high	97.5	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-67.6	-40.8	-178.6	178	0	0	0	0	111.8	S184 Q185 L186 N190 P222 L225 A241 K242	S184-V188 PolarHBondContact O-N 3.05Å; Q185-V188 PolarHBondContact O-N 3.03Å; L186-V188 VanDerWaalsContact C-N 3.33Å; L186-V188 PolarHBondContact O-N 3.01Å; V188-N190 PolarHBondContact O-N 3.35Å; V188-P222 HydrophobicContact CG2-CB 4.28Å; V188-P222 HydrophobicContact CG2-CG 4.23Å; V188-L225 HydrophobicContact CG2-CB 3.89Å; V188-L225 HydrophobicContact CG2-CD2 4.19Å; V188-A241 HydrophobicContact CB-CB 3.83Å; V188-A241 HydrophobicContact CG1-CB 3.64Å; V188-K242 VanDerWaalsContact CG1-C 3.49Å
189	C	97.3	Very high	97.4	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.007	12%	0.122	C	C	.	.	H	α-helix	trans	-67.4	-16.6	176.5	-72.9	0	0	0	0	113.6	T127 Q185 L186 S335	T127-C189 HydrophobicContact CG2-CB 4.49Å; Q185-C189 PolarHBondContact O-N 3.26Å; Q185-C189 PolarHBondContact O-SG 3.21Å; L186-C189 PolarHBondContact O-N 2.82Å; C189-S335 WeakPolarHBondContact O-CB 3.35Å
190	N	95.7	Very high	97.3	Very high	28 Å²	28	25 Å²	25	15%	0.15	15%	0.153	C	C	.	.			trans	42	59.3	179.8	-175.2	23.9	0	0	0	113.1	K123 Y124 G125 L186 L187 V188	K123-N190 PolarHBondContact O-ND2 2.84Å; Y124-N190 WeakPolarHBondContact CB-O 3.37Å; G125-N190 PolarHBondContact N-O 3.46Å; L186-N190 PolarHBondContact O-N 3.42Å; L187-N190 PolarHBondContact O-N 3.35Å; V188-N190 PolarHBondContact O-N 3.35Å
191	P	96.4	Very high	97.1	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.019	15%	0.147	C	C	.	.			trans	-70	149.2	-174	29.3	-36.3	0	0	0	112.7	Y110 T127 L186 I193 L212	Y110-P191 HydrophobicContact CD1-CB 4.45Å; Y110-P191 HydrophobicContact CD2-CB 3.6Å; Y110-P191 HydrophobicContact CE2-CB 4.35Å; Y110-P191 HydrophobicContact CG-CB 3.65Å; Y110-P191 HydrophobicContact CG-CG 4.49Å; T127-P191 VanDerWaalsContact CG2-CA 3.48Å; T127-P191 HydrophobicContact CG2-CB 3.52Å; L186-P191 HydrophobicContact CB-CG 4.46Å; L186-P191 HydrophobicContact CD2-CG 4.46Å; L186-P191 WeakPolarHBondContact O-CD 3.43Å; P191-I193 HydrophobicContact CG-CD1 4.5Å; P191-I193 HydrophobicContact CG-CG1 4.19Å; P191-I193 PolarHBondContact O-N 3.33Å; P191-I193 VanDerWaalsContact O-N 3.14Å; P191-L212 HydrophobicContact CG-CD1 4.45Å
192	N	96.2	Very high	97.1	Very high	13 Å²	13	21.2 Å²	21.2	7%	0.07	14%	0.136	C	C	.	.			trans	-80.5	92.6	168.5	-173.9	23.9	0	0	0	110.4	Y110 N111 V114 Y124	Y110-N192 VanDerWaalsContact CA-O 3.24Å; Y110-N192 WeakPolarHBondContact CA-O 3.37Å; Y110-N192 WeakPolarHBondContact CB-O 3.49Å; N111-N192 PolarHBondContact N-O 3.24Å; N111-N192 WeakPolarHBondContact O-CB 3.19Å; N111-N192 PolarHBondContact O-ND2 3.23Å; N111-N192 VanDerWaalsContact O-ND2 3.16Å; V114-N192 WeakPolarHBondContact CG2-ND2 3.13Å; Y124-N192 HydrophobicContact CD1-CB 4.46Å; Y124-N192 HydrophobicContact CD2-CB 3.44Å; Y124-N192 VanDerWaalsContact CD2-CB 3.44Å; Y124-N192 WeakPolarHBondContact CD2-OD1 3.17Å; Y124-N192 HydrophobicContact CE2-CB 4.19Å; Y124-N192 WeakPolarHBondContact CE2-OD1 3.44Å; Y124-N192 HydrophobicContact CG-CB 3.62Å
193	I	96.8	Very high	96.9	Very high	11 Å²	11	25 Å²	25	6%	0.056	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	125.3	177.1	-57.7	174.4	0	0	0	109.5	L108 I109 P191 C196 L212	L108-I193 HydrophobicContact CD1-CD1 3.53Å; L108-I193 HydrophobicContact CD1-CG1 4.4Å; L108-I193 HydrophobicContact CD2-CD1 3.86Å; L108-I193 HydrophobicContact CD2-CG1 3.8Å; L108-I193 HydrophobicContact CD2-CG2 4.42Å; L108-I193 HydrophobicContact CG-CD1 3.74Å; L108-I193 HydrophobicContact CG-CG1 4.12Å; L108-I193 HydrophobicContact CG-CG2 4.18Å; I109-I193 WeakPolarHBondContact O-CA 3.23Å; P191-I193 HydrophobicContact CG-CD1 4.5Å; P191-I193 HydrophobicContact CG-CG1 4.19Å; P191-I193 PolarHBondContact O-N 3.33Å; P191-I193 VanDerWaalsContact O-N 3.14Å; I193-C196 HydrophobicContact CG2-CB 3.85Å; I193-L212 HydrophobicContact CD1-CB 3.42Å; I193-L212 VanDerWaalsContact CD1-CB 3.42Å
194	Y	96.1	Very high	96.7	Very high	41 Å²	41	32.9 Å²	32.9	16%	0.161	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-12.9	-179.6	65	-90.1	0	0	0	113.9	I109 N111 V114 P115 F148 P149 I151	I109-Y194 HydrophobicContact CB-CE1 4.3Å; I109-Y194 HydrophobicContact CB-CE2 4.35Å; I109-Y194 HydrophobicContact CG2-CE1 3.79Å; I109-Y194 HydrophobicContact CG2-CE2 4.01Å; I109-Y194 WeakPolarHBondContact CG2-OH 3.31Å; I109-Y194 PolarHBondContact O-N 2.98Å; I109-Y194 VanDerWaalsContact O-N 3.17Å; N111-Y194 HydrophobicContact CB-CD1 4.25Å; N111-Y194 HydrophobicContact CB-CE1 3.61Å; V114-Y194 HydrophobicContact CG1-CD1 4.22Å; V114-Y194 HydrophobicContact CG1-CD2 4Å; V114-Y194 HydrophobicContact CG1-CG 3.71Å; V114-Y194 HydrophobicContact CG2-CD1 4.15Å; V114-Y194 HydrophobicContact CG2-CG 4.26Å; P115-Y194 HydrophobicContact CG-CE2 3.87Å; F148-Y194 PolarHBondContact O-OH 2.94Å; P149-Y194 VanDerWaalsContact CD-OH 3.29Å; P149-Y194 WeakPolarHBondContact CD-OH 3.36Å; P149-Y194 PolarHBondContact O-OH 2.88Å; I151-Y194 HydrophobicContact CG2-CD2 3.93Å; I151-Y194 HydrophobicContact CG2-CE2 4.05Å
195	S	97.1	Very high	96.6	Very high	13 Å²	13	34.2 Å²	34.2	9%	0.091	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	132.1	169	-176.9	0	0	0	0	109.5	I109 P152	I109-S195 PolarHBondContact N-O 3.21Å; P152-S195 WeakPolarHBondContact CD-OG 3.32Å
196	C	97.3	Very high	96.5	Very high	32 Å²	32	34.3 Å²	34.3	22%	0.216	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	150.5	-179.5	51.5	0	0	0	0	110.5	Y107 L108 I193 C213	Y107-C196 WeakPolarHBondContact O-CA 3.23Å; L108-C196 HydrophobicContact CB-CB 4.44Å; L108-C196 HydrophobicContact CG-CB 4.42Å; I193-C196 HydrophobicContact CG2-CB 3.85Å; C196-C213 HydrophobicContact CB-CB 3.87Å; C196-C213 WeakPolarHBondContact CB-SG 3.25Å; C196-C213 WeakPolarHBondContact SG-CA 3.44Å; C196-C213 WeakPolarHBondContact SG-CB 3.45Å; C196-C213 CovalentContact SG-SG 2.02Å; C196-C213 PolarHBondContact SG-SG 2.91Å
197	S	97.1	Very high	96.3	Very high	55 Å²	55	38 Å²	38	39%	0.385	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	112.7	167.6	-177.7	0	0	0	0	107.5	A106 Y107	A106-S197 CarbonylContact C-O 3.57Å; A106-S197 VanDerWaalsContact CA-O 3.24Å; A106-S197 WeakPolarHBondContact CA-O 3.44Å; Y107-S197 PolarHBondContact N-O 2.84Å; Y107-S197 PolarHBondContact O-N 3.47Å
198	I	97.3	Very high	96.3	Very high	19 Å²	19	39.1 Å²	39.1	10%	0.097	22%	0.216	C	C	.	.			trans	-128.4	97.6	-179	-51.5	175.1	0	0	0	107.3	A106 L108 W133 F202 H203 M209 P210 C213	A106-I198 HydrophobicContact CB-CB 4.5Å; A106-I198 HydrophobicContact CB-CG1 4.49Å; A106-I198 HydrophobicContact CB-CG2 4.25Å; L108-I198 HydrophobicContact CD1-CD1 4.3Å; W133-I198 HydrophobicContact CH2-CD1 4.07Å; W133-I198 HydrophobicContact CH2-CG1 4.02Å; W133-I198 HydrophobicContact CZ2-CD1 4.49Å; W133-I198 HydrophobicContact CZ2-CG1 4.35Å; W133-I198 HydrophobicContact CZ2-CG2 4.21Å; I198-F202 HydrophobicContact CG2-CB 3.95Å; I198-F202 HydrophobicContact CG2-CD2 4.44Å; I198-H203 PolarHBondContact O-NE2 3.44Å; I198-M209 HydrophobicContact CD1-CB 3.8Å; I198-P210 HydrophobicContact CD1-CG 4.4Å; I198-P210 HydrophobicContact CG2-CG 4.07Å; I198-C213 HydrophobicContact CD1-CB 4.22Å
199	P	96.6	Very high	96.3	Very high	16 Å²	16	39.1 Å²	39.1	10%	0.104	22%	0.216	C	C	.	.			trans	-55	147.9	177.8	-28.2	35.7	0	0	0	112.7	N103 T201 F202 H203	N103-P199 HydrophobicContact CB-CB 4.36Å; P199-T201 PolarHBondContact O-N 2.89Å; P199-F202 HydrophobicContact CB-CD2 4.09Å; P199-F202 HydrophobicContact CB-CE2 4.27Å; P199-F202 HydrophobicContact CG-CD2 4.26Å; P199-F202 HydrophobicContact CG-CE2 4.11Å; P199-F202 PolarHBondContact O-N 3.23Å; P199-H203 PolarHBondContact O-CD2 2.91Å; P199-H203 VanDerWaalsContact O-CD2 3.29Å; P199-H203 PolarHBondContact O-NE2 2.87Å
200	A	96.2	Very high	96.2	Very high	78 Å²	78	39.8 Å²	39.8	65%	0.645	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	-55.8	-25.2	-178.9	0	0	0	0	0	113.5	F202 H203	A200-F202 PolarHBondContact O-N 3.02Å; A200-F202 VanDerWaalsContact O-N 3.16Å; A200-H203 WeakPolarHBondContact O-CB 3.44Å; A200-H203 PolarHBondContact O-N 3.28Å; A200-H203 VanDerWaalsContact O-N 3.1Å
201	T	95.3	Very high	96.1	Very high	77 Å²	77	41.6 Å²	41.6	47%	0.472	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-54.8	-32.9	174.8	52.6	0	0	0	0	111.7	N103 R135 P199	N103-T201 PolarHBondContact O-OG1 3.26Å; R135-T201 PolarHBondContact NH2-O 3.24Å; P199-T201 PolarHBondContact O-N 2.89Å
202	F	97.3	Very high	96	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-84.7	-10.3	-179.2	-63	-80	0	0	0	115	A106 W133 R135 Y176 I198 P199 A200 Q204 E205 L206	A106-F202 HydrophobicContact CB-CD2 3.88Å; A106-F202 HydrophobicContact CB-CE2 3.72Å; A106-F202 HydrophobicContact CB-CG 4.48Å; A106-F202 HydrophobicContact CB-CZ 4.18Å; W133-F202 AromaticContact CD1-CE1 3.76Å; W133-F202 AromaticContact NE1-CD1 3.56Å; W133-F202 AromaticContact NE1-CE1 3.62Å; R135-F202 HydrophobicContact CG-CE1 4.04Å; R135-F202 HydrophobicContact CG-CZ 4.47Å; Y176-F202 HydrophobicContact CD2-CE1 4.49Å; Y176-F202 AromaticContact CE2-CD1 3.66Å; Y176-F202 HydrophobicContact CE2-CD1 3.66Å; Y176-F202 AromaticContact CE2-CE1 3.79Å; Y176-F202 HydrophobicContact CE2-CE1 3.79Å; Y176-F202 AromaticContact CZ-CD1 3.96Å; I198-F202 HydrophobicContact CG2-CB 3.95Å; I198-F202 HydrophobicContact CG2-CD2 4.44Å; P199-F202 HydrophobicContact CB-CD2 4.09Å; P199-F202 HydrophobicContact CB-CE2 4.27Å; P199-F202 HydrophobicContact CG-CD2 4.26Å; P199-F202 HydrophobicContact CG-CE2 4.11Å; P199-F202 PolarHBondContact O-N 3.23Å; A200-F202 PolarHBondContact O-N 3.02Å; A200-F202 VanDerWaalsContact O-N 3.16Å; F202-Q204 VanDerWaalsContact C-N 3.27Å; F202-Q204 PolarHBondContact O-N 2.95Å; F202-E205 PolarHBondContact O-N 3.44Å; F202-L206 HydrophobicContact CB-CD1 4.29Å; F202-L206 WeakPolarHBondContact O-CB 3.22Å; F202-L206 PolarHBondContact O-N 3.39Å
203	H	95.3	Very high	95.9	Very high	79 Å²	79	43.9 Å²	43.9	37%	0.366	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-12.5	-167.7	-63.3	-175.4	0	0	0	113.7	I198 P199 A200 I207	I198-H203 PolarHBondContact O-NE2 3.44Å; P199-H203 PolarHBondContact O-CD2 2.91Å; P199-H203 VanDerWaalsContact O-CD2 3.29Å; P199-H203 PolarHBondContact O-NE2 2.87Å; A200-H203 WeakPolarHBondContact O-CB 3.44Å; A200-H203 PolarHBondContact O-N 3.28Å; A200-H203 VanDerWaalsContact O-N 3.1Å; H203-I207 WeakPolarHBondContact O-CD1 3.47Å
204	Q	93.7	Very high	95.7	Very high	170 Å²	170	48.2 Å²	48.2	79%	0.794	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-36.4	177	-173.6	174.6	1.8	0	0	111.7	F202	F202-Q204 VanDerWaalsContact C-N 3.27Å; F202-Q204 PolarHBondContact O-N 2.95Å
205	E	95.8	Very high	95.1	Very high	68 Å²	68	54.5 Å²	54.5	32%	0.318	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-28.9	-179.2	-53.2	96.9	140.8	0	0	113.3	R135 F202	R135-E205 IonicContact CZ-OE1 2.66Å; R135-E205 IonicContact CZ-OE2 3.73Å; R135-E205 VanDerWaalsContact NH1-CD 3.27Å; R135-E205 IonicContact NH1-OE1 2.65Å; R135-E205 PolarHBondContact NH1-OE1 3.45Å; R135-E205 IonicContact NH1-OE2 3.49Å; R135-E205 PolarHBondContact NH1-OE2 3.29Å; R135-E205 IonicContact NH2-OE1 3.47Å; R135-E205 PolarHBondContact NH2-OE1 3.04Å; R135-E205 IonicContact NH2-OE2 3.01Å; R135-E205 PolarHBondContact NH2-OE2 2.97Å; F202-E205 PolarHBondContact O-N 3.44Å
206	L	96.9	Very high	94.3	Very high	2 Å²	2	56.4 Å²	56.4	1%	0.01	31%	0.309	C	S	.	.			trans	-105.9	105.5	179.1	-50.5	-175.2	0	0	0	109.1	W133 Y176 D183 F202 P210	W133-L206 HydrophobicContact CZ2-CD1 3.71Å; Y176-L206 HydrophobicContact CE2-CD1 4.45Å; D183-L206 HydrophobicContact CB-CD2 4.25Å; F202-L206 HydrophobicContact CB-CD1 4.29Å; F202-L206 WeakPolarHBondContact O-CB 3.22Å; F202-L206 PolarHBondContact O-N 3.39Å; L206-P210 VanDerWaalsContact O-CD 3.26Å; L206-P210 WeakPolarHBondContact O-CD 3.21Å; L206-P210 WeakPolarHBondContact O-CG 3.29Å
207	I	94.6	Very high	92.7	Very high	79 Å²	79	60.7 Å²	60.7	41%	0.405	34%	0.339	S	S	.	.			trans	-94.8	-45.1	-172.8	-55.5	-57	0	0	0	110.7	D183 H203 Q211	D183-I207 PolarHBondContact OD2-N 3.26Å; H203-I207 WeakPolarHBondContact O-CD1 3.47Å; I207-Q211 VanDerWaalsContact O-CG 3.26Å; I207-Q211 WeakPolarHBondContact O-CG 3.26Å
208	H	96.4	Very high	91.2	Very high	36 Å²	36	62.3 Å²	62.3	17%	0.167	35%	0.351	C	S	.	.	H	α-helix	trans	-82.4	-40.5	-168	-54.5	-51	0	0	0	112.7	D183 L187 Q211 L212	D183-H208 PolarHBondContact OD1-N 3.07Å; D183-H208 WeakPolarHBondContact OD2-CB 3.28Å; D183-H208 IonicContact OD2-CD2 3.51Å; D183-H208 PolarHBondContact OD2-CD2 3.31Å; D183-H208 IonicContact OD2-CG 3.84Å; D183-H208 PolarHBondContact OD2-N 2.7Å; L187-H208 HydrophobicContact CB-CB 3.98Å; L187-H208 HydrophobicContact CD1-CB 4.42Å; H208-Q211 WeakPolarHBondContact O-CB 3.44Å; H208-Q211 PolarHBondContact O-N 2.92Å; H208-Q211 VanDerWaalsContact O-N 3.16Å; H208-L212 WeakPolarHBondContact O-CB 3.19Å; H208-L212 WeakPolarHBondContact O-CG 3.44Å; H208-L212 PolarHBondContact O-N 3.19Å
209	M	96.8	Very high	90	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-59.5	-45.6	179.1	-75.6	-171.2	-144.1	0	0	112.4	L108 L131 W133 I182 D183 L186 I198 Q211 L212 C213	L108-M209 HydrophobicContact CD1-CB 3.87Å; L108-M209 HydrophobicContact CD1-CG 3.77Å; L108-M209 HydrophobicContact CD1-SD 4.03Å; L131-M209 HydrophobicContact CD2-CE 4.14Å; W133-M209 HydrophobicContact CH2-SD 3.89Å; W133-M209 HydrophobicContact CZ2-SD 4.3Å; W133-M209 HydrophobicContact CZ3-SD 4.46Å; I182-M209 HydrophobicContact CB-CE 4.08Å; I182-M209 HydrophobicContact CG2-CE 3.69Å; D183-M209 VanDerWaalsContact CA-CE 3.48Å; D183-M209 HydrophobicContact CB-CE 4.03Å; D183-M209 VanDerWaalsContact OD1-CB 3.27Å; D183-M209 WeakPolarHBondContact OD1-CB 3.49Å; D183-M209 WeakPolarHBondContact OD1-CG 3.2Å; D183-M209 PolarHBondContact OD1-N 3.23Å; L186-M209 HydrophobicContact CD1-CE 3.66Å; L186-M209 HydrophobicContact CD1-CG 3.85Å; L186-M209 HydrophobicContact CD1-SD 3.83Å; L186-M209 HydrophobicContact CG-CE 4.39Å; I198-M209 HydrophobicContact CD1-CB 3.8Å; M209-Q211 PolarHBondContact O-N 2.88Å; M209-L212 PolarHBondContact O-N 2.9Å; M209-C213 WeakPolarHBondContact O-CB 3.23Å; M209-C213 PolarHBondContact O-N 3.46Å
210	P	95.8	Very high	89.5	Confident	16 Å²	16	71.6 Å²	71.6	10%	0.104	40%	0.397	C	S	.	.	H	α-helix	trans	-61	-39.4	172.1	-25.5	35.8	0	0	0	113.9	I198 L206 C213 T214	I198-P210 HydrophobicContact CD1-CG 4.4Å; I198-P210 HydrophobicContact CG2-CG 4.07Å; L206-P210 VanDerWaalsContact O-CD 3.26Å; L206-P210 WeakPolarHBondContact O-CD 3.21Å; L206-P210 WeakPolarHBondContact O-CG 3.29Å; P210-C213 PolarHBondContact O-N 3.47Å; P210-T214 PolarHBondContact O-N 3.09Å; P210-T214 PolarHBondContact O-OG1 2.96Å
211	Q	94.4	Very high	89.3	Confident	65 Å²	65	70.2 Å²	70.2	30%	0.304	38%	0.378	S	S	.	.	H	α-helix	trans	-65.7	-45.7	177.3	-71.8	171.5	-11.9	0	0	111.6	I207 H208 M209 C213 T214 R215 A216	I207-Q211 VanDerWaalsContact O-CG 3.26Å; I207-Q211 WeakPolarHBondContact O-CG 3.26Å; H208-Q211 WeakPolarHBondContact O-CB 3.44Å; H208-Q211 PolarHBondContact O-N 2.92Å; H208-Q211 VanDerWaalsContact O-N 3.16Å; M209-Q211 PolarHBondContact O-N 2.88Å; Q211-C213 VanDerWaalsContact C-N 3.31Å; Q211-C213 PolarHBondContact O-N 2.71Å; Q211-T214 PolarHBondContact O-N 3.24Å; Q211-T214 PolarHBondContact O-OG1 3.47Å; Q211-R215 PolarHBondContact O-N 2.92Å; Q211-A216 HydrophobicContact CB-CB 4.41Å; Q211-A216 PolarHBondContact O-N 3.13Å
212	L	94.1	Very high	89.2	Confident	32 Å²	32	69.4 Å²	69.4	17%	0.168	38%	0.375	C	S	.	.	H	α-helix	trans	-62.2	-40.7	175.8	-68.2	167.8	0	0	0	110.8	L186 P191 I193 H208 M209 T214 R215	L186-L212 HydrophobicContact CB-CD1 4.25Å; P191-L212 HydrophobicContact CG-CD1 4.45Å; I193-L212 HydrophobicContact CD1-CB 3.42Å; I193-L212 VanDerWaalsContact CD1-CB 3.42Å; H208-L212 WeakPolarHBondContact O-CB 3.19Å; H208-L212 WeakPolarHBondContact O-CG 3.44Å; H208-L212 PolarHBondContact O-N 3.19Å; M209-L212 PolarHBondContact O-N 2.9Å; L212-T214 VanDerWaalsContact C-N 3.35Å; L212-T214 PolarHBondContact O-N 2.99Å; L212-R215 PolarHBondContact O-N 3.24Å
213	C	93.6	Very high	89.2	Confident	32 Å²	32	70.8 Å²	70.8	22%	0.216	39%	0.388	C	S	.	.	H	α-helix	trans	-61.4	-40.5	177.5	175.2	0	0	0	0	112.3	C196 I198 M209 P210 Q211	C196-C213 HydrophobicContact CB-CB 3.87Å; C196-C213 WeakPolarHBondContact CB-SG 3.25Å; C196-C213 WeakPolarHBondContact SG-CA 3.44Å; C196-C213 WeakPolarHBondContact SG-CB 3.45Å; C196-C213 CovalentContact SG-SG 2.02Å; C196-C213 PolarHBondContact SG-SG 2.91Å; I198-C213 HydrophobicContact CD1-CB 4.22Å; M209-C213 WeakPolarHBondContact O-CB 3.23Å; M209-C213 PolarHBondContact O-N 3.46Å; P210-C213 PolarHBondContact O-N 3.47Å; Q211-C213 VanDerWaalsContact C-N 3.31Å; Q211-C213 PolarHBondContact O-N 2.71Å
214	T	91.4	Very high	89.3	Confident	103 Å²	103	73 Å²	73	63%	0.632	39%	0.394	S	S	*	.	H	α-helix	trans	-88.2	-2.1	178.5	55.1	0	0	0	0	114	P210 Q211 L212 A216	P210-T214 PolarHBondContact O-N 3.09Å; P210-T214 PolarHBondContact O-OG1 2.96Å; Q211-T214 PolarHBondContact O-N 3.24Å; Q211-T214 PolarHBondContact O-OG1 3.47Å; L212-T214 VanDerWaalsContact C-N 3.35Å; L212-T214 PolarHBondContact O-N 2.99Å; T214-A216 PolarHBondContact O-N 2.95Å
215	R	84.4	Confident	89.5	Confident	172 Å²	172	67.3 Å²	67.3	65%	0.649	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	32.8	-174.4	-54.1	178.4	177.7	174.5	0.9	113	Q211 L212	Q211-R215 PolarHBondContact O-N 2.92Å; L212-R215 PolarHBondContact O-N 3.24Å
216	A	79.3	Confident	89.7	Confident	53 Å²	53	66.2 Å²	66.2	44%	0.438	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-63.7	154.6	175.4	0	0	0	0	0	111.1	Q211 T214 S218	Q211-A216 HydrophobicContact CB-CB 4.41Å; Q211-A216 PolarHBondContact O-N 3.13Å; T214-A216 PolarHBondContact O-N 2.95Å; A216-S218 PolarHBondContact O-N 3.17Å
217	S	64.1	Low	89.8	Confident	122 Å²	122	67.4 Å²	67.4	85%	0.853	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-56.6	133.8	179.1	-173.8	0	0	0	0	111
218	S	66	Low	90	Very high	89 Å²	89	67.7 Å²	67.7	62%	0.622	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-71.1	144.7	-163.8	56.1	0	0	0	0	113.9	A216	A216-S218 PolarHBondContact O-N 3.17Å
219	S	71.8	Confident	90.1	Very high	42 Å²	42	66 Å²	66	29%	0.294	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-61.5	161.5	155.5	-51.2	0	0	0	0	111.1	I221	S219-I221 WeakPolarHBondContact O-CG1 3.49Å; S219-I221 PolarHBondContact O-N 3.21Å
220	E	86.3	Confident	90.2	Very high	188 Å²	188	70.1 Å²	70.1	88%	0.879	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-57.8	123.7	168	-171.9	178.1	174.5	0	0	109.5	P222	E220-P222 WeakPolarHBondContact O-CD 3.34Å
221	I	91.6	Very high	90.3	Very high	49 Å²	49	69.6 Å²	69.6	25%	0.251	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-97.6	116.2	-176.4	-54.5	-178.2	0	0	0	108.8	L187 S219	L187-I221 HydrophobicContact CD1-CG1 4.25Å; L187-I221 HydrophobicContact CG-CG1 4.48Å; S219-I221 WeakPolarHBondContact O-CG1 3.49Å; S219-I221 PolarHBondContact O-N 3.21Å
222	P	94.6	Very high	90.5	Very high	61 Å²	61	67.8 Å²	67.8	40%	0.396	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-57	148.1	174.6	-24.6	32.8	0	0	0	112.5	V188 E220 R224 S243	V188-P222 HydrophobicContact CG2-CB 4.28Å; V188-P222 HydrophobicContact CG2-CG 4.23Å; E220-P222 WeakPolarHBondContact O-CD 3.34Å; P222-R224 VanDerWaalsContact C-N 3.26Å; P222-R224 PolarHBondContact O-N 3.23Å; P222-S243 WeakPolarHBondContact O-CB 3.37Å; P222-S243 PolarHBondContact O-OG 3.23Å
223	G	96.3	Very high	90.7	Very high	28 Å²	28	73.3 Å²	73.3	29%	0.289	41%	0.407	S	S	.	.	S	Bend	trans	-58.5	-38.9	174.4	0	0	0	0	0	113.2	S243 S245 F246	G223-S243 VanDerWaalsContact CA-OG 3.25Å; G223-S243 WeakPolarHBondContact CA-OG 2.89Å; G223-S243 PolarHBondContact O-N 3.43Å; G223-S243 PolarHBondContact O-OG 3.4Å; G223-S245 WeakPolarHBondContact CA-OG 2.95Å; G223-F246 WeakPolarHBondContact O-CB 3.44Å
224	R	97.6	Very high	90.9	Very high	126 Å²	126	73.3 Å²	73.3	48%	0.475	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	150.5	-179.5	62.7	-178.4	179.5	-178.4	-3.9	111.6	P222 A241 F246 W254	P222-R224 VanDerWaalsContact C-N 3.26Å; P222-R224 PolarHBondContact O-N 3.23Å; R224-A241 CarbonylContact C-O 3.57Å; R224-A241 VanDerWaalsContact CA-O 3.26Å; R224-A241 WeakPolarHBondContact CA-O 3.22Å; R224-F246 HydrophobicContact CB-CD2 4.45Å; R224-F246 HydrophobicContact CG-CD2 4.49Å; R224-W254 HydrophobicContact CB-CE3 4.22Å; R224-W254 HydrophobicContact CB-CH2 3.62Å; R224-W254 HydrophobicContact CB-CZ2 4.1Å; R224-W254 HydrophobicContact CB-CZ3 3.69Å; R224-W254 HydrophobicContact CG-CH2 4.23Å; R224-W254 HydrophobicContact CG-CZ2 4.2Å
225	L	98.5	Very high	91.2	Very high	50 Å²	50	70.2 Å²	70.2	26%	0.262	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	129.8	177.6	-178.8	61.7	0	0	0	111	Q185 V188 A241 W254	Q185-L225 HydrophobicContact CG-CD2 4.46Å; Q185-L225 PolarHBondContact OE1-O 3.3Å; V188-L225 HydrophobicContact CG2-CB 3.89Å; V188-L225 HydrophobicContact CG2-CD2 4.19Å; L225-A241 PolarHBondContact N-O 3.1Å; L225-A241 PolarHBondContact O-N 2.82Å; L225-W254 WeakPolarHBondContact O-CH2 2.98Å
226	L	98.8	Very high	91.9	Very high	46 Å²	46	69 Å²	69	24%	0.241	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123	173.4	173.7	65	0	0	0	108.9	L238 H239 F240 W254 R258	L226-L238 HydrophobicContact CD1-CB 4.13Å; L226-H239 WeakPolarHBondContact CA-O 3.34Å; L226-F240 HydrophobicContact CD1-CD1 3.95Å; L226-F240 HydrophobicContact CD1-CD2 3.94Å; L226-F240 HydrophobicContact CD1-CE1 3.85Å; L226-F240 HydrophobicContact CD1-CE2 3.82Å; L226-F240 HydrophobicContact CD1-CG 3.99Å; L226-F240 HydrophobicContact CD1-CZ 3.78Å; L226-F240 HydrophobicContact CD2-CE1 4.41Å; L226-W254 HydrophobicContact CB-CH2 4.42Å; L226-W254 HydrophobicContact CB-CZ2 3.9Å; L226-R258 HydrophobicContact CD2-CG 3.84Å; L226-R258 VanDerWaalsContact CD2-NE 3.33Å
227	T	98.6	Very high	92.8	Very high	26 Å²	26	66.6 Å²	66.6	16%	0.16	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142.2	-179.5	-54.7	0	0	0	0	110.6	A181 Q185 L229 L238 H239	A181-T227 HydrophobicContact CB-CG2 3.75Å; Q185-T227 PolarHBondContact NE2-OG1 3.47Å; T227-L229 HydrophobicContact CG2-CD2 4.22Å; T227-L238 CarbonylContact O-C 3.45Å; T227-L238 WeakPolarHBondContact O-CA 3.2Å; T227-H239 PolarHBondContact N-O 2.92Å; T227-H239 PolarHBondContact O-N 3.22Å
228	T	98.8	Very high	94.5	Very high	85 Å²	85	62.3 Å²	62.3	52%	0.521	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	127.8	167.9	-57.6	0	0	0	0	108.6	F237 L238	T228-F237 CarbonylContact C-O 3.41Å; T228-F237 WeakPolarHBondContact CA-O 3.49Å; T228-L238 HydrophobicContact CG2-CD2 4.39Å; T228-L238 WeakPolarHBondContact OG1-CD2 3.26Å
229	L	98.8	Very high	96	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	154.5	175	-61.8	172.7	0	0	0	109.3	W140 F174 A181 I182 T227 K236 F237 H239 I339	W140-L229 HydrophobicContact CE3-CD1 4.47Å; W140-L229 HydrophobicContact CZ3-CD1 3.99Å; F174-L229 HydrophobicContact CE1-CB 3.84Å; F174-L229 HydrophobicContact CE1-CD1 4.48Å; F174-L229 HydrophobicContact CZ-CB 4.22Å; F174-L229 HydrophobicContact CZ-CD1 4.12Å; A181-L229 HydrophobicContact CB-CD2 3.68Å; I182-L229 HydrophobicContact CG1-CD1 4.11Å; I182-L229 HydrophobicContact CG1-CD2 3.99Å; T227-L229 HydrophobicContact CG2-CD2 4.22Å; L229-K236 WeakPolarHBondContact O-CA 3.35Å; L229-F237 HydrophobicContact CB-CB 4.44Å; L229-F237 PolarHBondContact N-O 2.98Å; L229-F237 PolarHBondContact O-N 3.2Å; L229-H239 HydrophobicContact CD1-CB 4.05Å; L229-I339 HydrophobicContact CD1-CD1 4.32Å
230	Q	98.8	Very high	97.3	Very high	87 Å²	87	56.2 Å²	56.2	41%	0.407	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	123.8	176.7	-169.7	173	42.1	0	0	110.4	F174 Q178 G234 Q235	F174-Q230 VanDerWaalsContact CD1-O 3.3Å; F174-Q230 WeakPolarHBondContact CD1-O 3.45Å; Q178-Q230 WeakPolarHBondContact CG-O 3.3Å; Q230-G234 PolarHBondContact NE2-O 2.74Å; Q230-Q235 WeakPolarHBondContact CA-O 3.09Å
231	S	98.8	Very high	97.9	Very high	5 Å²	5	47.2 Å²	47.2	4%	0.035	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-63.1	168.5	174.3	66	0	0	0	0	112	D41 T173 Q233 G234 Q235	D41-S231 VanDerWaalsContact OD1-CB 3.26Å; D41-S231 WeakPolarHBondContact OD1-CB 3.35Å; D41-S231 PolarHBondContact OD1-OG 3Å; D41-S231 WeakPolarHBondContact OD2-CB 3.45Å; D41-S231 PolarHBondContact OD2-OG 3.39Å; T173-S231 CarbonylContact O-C 3.53Å; T173-S231 VanDerWaalsContact O-CA 3.3Å; T173-S231 WeakPolarHBondContact O-CA 3.18Å; T173-S231 WeakPolarHBondContact O-CB 3.03Å; S231-Q233 PolarHBondContact O-N 2.68Å; S231-Q233 VanDerWaalsContact O-N 3.16Å; S231-G234 PolarHBondContact O-N 3.19Å; S231-Q235 PolarHBondContact N-O 2.85Å; S231-Q235 WeakPolarHBondContact OG-CB 3.26Å; S231-Q235 PolarHBondContact OG-N 2.93Å; S231-Q235 PolarHBondContact OG-O 3.44Å
232	A	98.4	Very high	98.2	Very high	27 Å²	27	45 Å²	45	22%	0.223	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.6	-177.8	0	0	0	0	0	114.1	D41 T173 K175	D41-A232 PolarHBondContact OD1-N 3.21Å; T173-A232 HydrophobicContact CG2-CB 3.77Å; T173-A232 PolarHBondContact O-N 3.11Å; K175-A232 HydrophobicContact CD-CB 4.14Å; K175-A232 HydrophobicContact CG-CB 4.29Å
233	Q	97.9	Very high	98.3	Very high	148 Å²	148	42.2 Å²	42.2	69%	0.692	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	13.2	173.6	-57	-171.2	26.4	0	0	113.8	D41 S231	D41-Q233 HydrophobicContact CB-CB 4.05Å; D41-Q233 HydrophobicContact CB-CG 3.85Å; D41-Q233 WeakPolarHBondContact OD1-CB 3.18Å; D41-Q233 PolarHBondContact OD1-N 2.95Å; S231-Q233 PolarHBondContact O-N 2.68Å; S231-Q233 VanDerWaalsContact O-N 3.16Å
234	G	97.8	Very high	98.2	Very high	32 Å²	32	44.6 Å²	44.6	33%	0.33	23%	0.228	S	C	.	.			trans	95.2	1.3	167.4	0	0	0	0	0	115.8	Q230 S231 K236	Q230-G234 PolarHBondContact NE2-O 2.74Å; S231-G234 PolarHBondContact O-N 3.19Å; G234-K236 PolarHBondContact O-N 2.88Å
235	Q	98.3	Very high	98.1	Very high	38 Å²	38	42 Å²	42	18%	0.178	23%	0.23	C	C	.	.			trans	-69	129.1	176.9	-176.6	166.3	-57.8	0	0	110.5	W42 Q230 S231 F237 N343	W42-Q235 VanDerWaalsContact NE1-NE2 3.18Å; Q230-Q235 WeakPolarHBondContact CA-O 3.09Å; S231-Q235 PolarHBondContact N-O 2.85Å; S231-Q235 WeakPolarHBondContact OG-CB 3.26Å; S231-Q235 PolarHBondContact OG-N 2.93Å; S231-Q235 PolarHBondContact OG-O 3.44Å; Q235-F237 HydrophobicContact CB-CE2 3.94Å; Q235-F237 HydrophobicContact CG-CD2 4.45Å; Q235-F237 HydrophobicContact CG-CE2 3.74Å; Q235-F237 HydrophobicContact CG-CZ 4Å; Q235-F237 VanDerWaalsContact O-CD2 3.3Å; Q235-F237 WeakPolarHBondContact O-CD2 3.41Å; Q235-F237 WeakPolarHBondContact O-CE2 3.48Å; Q235-N343 PolarHBondContact OE1-ND2 3.37Å
236	K	98.4	Very high	97.9	Very high	145 Å²	145	40.8 Å²	40.8	63%	0.63	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	138.5	-179.5	-64.6	-177	-178.9	180	0	111.4	L229 G234 T341	L229-K236 WeakPolarHBondContact O-CA 3.35Å; G234-K236 PolarHBondContact O-N 2.88Å; K236-T341 PolarHBondContact O-OG1 2.79Å
237	F	98.9	Very high	97.7	Very high	3 Å²	3	43 Å²	43	1%	0.013	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147	172.8	-64.1	-94.5	0	0	0	109.4	W42 I170 I172 T228 L229 Q235 I339 C340 T341	W42-F237 HydrophobicContact CB-CZ 4.5Å; W42-F237 HydrophobicContact CG-CZ 4.3Å; I170-F237 HydrophobicContact CD1-CE1 4.05Å; I172-F237 HydrophobicContact CD1-CD1 3.68Å; I172-F237 HydrophobicContact CD1-CD2 4.13Å; I172-F237 HydrophobicContact CD1-CE1 3.58Å; I172-F237 HydrophobicContact CD1-CE2 4.05Å; I172-F237 HydrophobicContact CD1-CG 3.96Å; I172-F237 HydrophobicContact CD1-CZ 3.76Å; I172-F237 HydrophobicContact CG1-CE1 4.24Å; I172-F237 HydrophobicContact CG1-CE2 4.46Å; I172-F237 HydrophobicContact CG1-CZ 4.06Å; I172-F237 HydrophobicContact CG2-CD2 4.43Å; I172-F237 HydrophobicContact CG2-CE2 3.93Å; I172-F237 HydrophobicContact CG2-CZ 4.29Å; T228-F237 CarbonylContact C-O 3.41Å; T228-F237 WeakPolarHBondContact CA-O 3.49Å; L229-F237 HydrophobicContact CB-CB 4.44Å; L229-F237 PolarHBondContact N-O 2.98Å; L229-F237 PolarHBondContact O-N 3.2Å; Q235-F237 HydrophobicContact CB-CE2 3.94Å; Q235-F237 HydrophobicContact CG-CD2 4.45Å; Q235-F237 HydrophobicContact CG-CE2 3.74Å; Q235-F237 HydrophobicContact CG-CZ 4Å; Q235-F237 VanDerWaalsContact O-CD2 3.3Å; Q235-F237 WeakPolarHBondContact O-CD2 3.41Å; Q235-F237 WeakPolarHBondContact O-CE2 3.48Å; F237-I339 HydrophobicContact CB-CD1 4.07Å; F237-I339 HydrophobicContact CB-CG1 3.87Å; F237-I339 HydrophobicContact CD1-CD1 4.34Å; F237-I339 HydrophobicContact CD1-CG1 3.94Å; F237-I339 HydrophobicContact CG-CD1 4.35Å; F237-I339 HydrophobicContact CG-CG1 4.23Å; F237-C340 CarbonylContact C-O 3.54Å; F237-C340 VanDerWaalsContact CA-O 3.23Å; F237-C340 WeakPolarHBondContact CA-O 3.18Å; F237-T341 HydrophobicContact CD1-CG2 4.37Å; F237-T341 HydrophobicContact CE1-CG2 4.09Å
238	L	98.9	Very high	97.5	Very high	33 Å²	33	46.5 Å²	46.5	17%	0.173	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.5	165.1	-64.1	-178.6	0	0	0	107.8	L226 T227 T228 F240 L259 W319 I339 C340	L226-L238 HydrophobicContact CD1-CB 4.13Å; T227-L238 CarbonylContact O-C 3.45Å; T227-L238 WeakPolarHBondContact O-CA 3.2Å; T228-L238 HydrophobicContact CG2-CD2 4.39Å; T228-L238 WeakPolarHBondContact OG1-CD2 3.26Å; L238-F240 HydrophobicContact CB-CE2 4.16Å; L238-F240 HydrophobicContact CD1-CE2 4.5Å; L238-L259 HydrophobicContact CD1-CD2 3.9Å; L238-W319 HydrophobicContact CD1-CH2 3.47Å; L238-W319 VanDerWaalsContact CD1-CH2 3.47Å; L238-W319 HydrophobicContact CD1-CZ2 4.2Å; L238-W319 HydrophobicContact CD1-CZ3 3.9Å; L238-W319 HydrophobicContact CG-CH2 4.06Å; L238-W319 HydrophobicContact CG-CZ3 4.21Å; L238-I339 CarbonylContact O-C 3.58Å; L238-I339 WeakPolarHBondContact O-CA 3.34Å; L238-C340 HydrophobicContact CB-CB 4.26Å; L238-C340 PolarHBondContact N-O 2.81Å; L238-C340 PolarHBondContact O-N 3.06Å
239	H	98.9	Very high	97.3	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.2	170.3	-173	-87.1	0	0	0	109.1	W140 Q185 L226 T227 L229 F338	W140-H239 AromaticContact CH2-CD2 3.53Å; W140-H239 AromaticContact CH2-CE1 3.83Å; W140-H239 AromaticContact CH2-NE2 3.36Å; W140-H239 WeakPolarHBondContact CH2-NE2 3.45Å; W140-H239 AromaticContact CZ3-CD2 3.87Å; Q185-H239 VanDerWaalsContact CD-ND1 3.3Å; Q185-H239 PolarHBondContact NE2-ND1 3.25Å; Q185-H239 PolarHBondContact NE2-O 3.38Å; L226-H239 WeakPolarHBondContact CA-O 3.34Å; T227-H239 PolarHBondContact N-O 2.92Å; T227-H239 PolarHBondContact O-N 3.22Å; L229-H239 HydrophobicContact CD1-CB 4.05Å; H239-F338 WeakPolarHBondContact CA-O 3.17Å
240	F	98.9	Very high	97.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	122.5	170.7	-69.7	-100.5	0	0	0	107.6	L226 L238 W254 M255 R258 L259 G337 F338 C340	L226-F240 HydrophobicContact CD1-CD1 3.95Å; L226-F240 HydrophobicContact CD1-CD2 3.94Å; L226-F240 HydrophobicContact CD1-CE1 3.85Å; L226-F240 HydrophobicContact CD1-CE2 3.82Å; L226-F240 HydrophobicContact CD1-CG 3.99Å; L226-F240 HydrophobicContact CD1-CZ 3.78Å; L226-F240 HydrophobicContact CD2-CE1 4.41Å; L238-F240 HydrophobicContact CB-CE2 4.16Å; L238-F240 HydrophobicContact CD1-CE2 4.5Å; F240-W254 HydrophobicContact CB-CH2 4.26Å; F240-W254 HydrophobicContact CB-CZ3 4.05Å; F240-W254 AromaticContact CD1-CD2 3.87Å; F240-W254 HydrophobicContact CD1-CD2 3.87Å; F240-W254 AromaticContact CD1-CE2 3.79Å; F240-W254 AromaticContact CD1-CE3 3.95Å; F240-W254 HydrophobicContact CD1-CE3 3.95Å; F240-W254 AromaticContact CD1-CH2 3.83Å; F240-W254 HydrophobicContact CD1-CH2 3.83Å; F240-W254 AromaticContact CD1-CZ2 3.81Å; F240-W254 HydrophobicContact CD1-CZ2 3.81Å; F240-W254 AromaticContact CD1-CZ3 3.91Å; F240-W254 HydrophobicContact CD1-CZ3 3.91Å; F240-W254 HydrophobicContact CE1-CD2 4.33Å; F240-W254 HydrophobicContact CE1-CZ2 4.35Å; F240-W254 HydrophobicContact CG-CZ3 4.5Å; F240-M255 HydrophobicContact CB-CG 4.47Å; F240-M255 HydrophobicContact CD1-CG 3.89Å; F240-M255 HydrophobicContact CD2-CG 4.36Å; F240-M255 HydrophobicContact CE1-CG 4.17Å; F240-M255 HydrophobicContact CG-CG 4Å; F240-R258 HydrophobicContact CE1-CB 3.91Å; F240-R258 HydrophobicContact CE1-CG 3.86Å; F240-R258 HydrophobicContact CZ-CB 4.18Å; F240-R258 HydrophobicContact CZ-CG 3.99Å; F240-L259 HydrophobicContact CE2-CD2 4Å; F240-L259 HydrophobicContact CE2-CG 4.34Å; F240-L259 HydrophobicContact CZ-CD2 3.82Å; F240-L259 HydrophobicContact CZ-CG 4.02Å; F240-G337 CarbonylContact O-C 3.57Å; F240-G337 WeakPolarHBondContact O-CA 3.24Å; F240-F338 PolarHBondContact N-O 3.08Å; F240-F338 PolarHBondContact O-N 2.87Å; F240-C340 HydrophobicContact CE2-CB 4.45Å
241	A	98.6	Very high	97.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.3	169.3	0	0	0	0	0	109.6	V188 R224 L225 W254	V188-A241 HydrophobicContact CB-CB 3.83Å; V188-A241 HydrophobicContact CG1-CB 3.64Å; R224-A241 CarbonylContact C-O 3.57Å; R224-A241 VanDerWaalsContact CA-O 3.26Å; R224-A241 WeakPolarHBondContact CA-O 3.22Å; L225-A241 PolarHBondContact N-O 3.1Å; L225-A241 PolarHBondContact O-N 2.82Å; A241-W254 WeakPolarHBondContact O-CH2 3.5Å; A241-W254 WeakPolarHBondContact O-CZ3 3.42Å
242	K	97.7	Very high	97.1	Very high	3 Å²	3	39.8 Å²	39.8	1%	0.013	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	148.7	167.7	65	167.8	-84.6	-169.3	0	110.2	V188 F246 I250 L325 A332 R334 S335 G336	V188-K242 VanDerWaalsContact CG1-C 3.49Å; K242-F246 HydrophobicContact CB-CB 4.14Å; K242-F246 HydrophobicContact CB-CD1 4.26Å; K242-F246 HydrophobicContact CB-CG 4.4Å; K242-F246 HydrophobicContact CD-CD1 3.94Å; K242-F246 WeakPolarHBondContact CE-O 3.43Å; K242-F246 PolarHBondContact NZ-O 2.96Å; K242-I250 HydrophobicContact CB-CD1 4.24Å; K242-I250 HydrophobicContact CD-CB 3.91Å; K242-I250 HydrophobicContact CD-CD1 3.9Å; K242-I250 HydrophobicContact CD-CG1 4.34Å; K242-I250 HydrophobicContact CG-CD1 3.83Å; K242-L325 HydrophobicContact CD-CD1 3.72Å; K242-L325 HydrophobicContact CG-CD1 3.92Å; K242-A332 PolarHBondContact NZ-O 3.38Å; K242-R334 WeakPolarHBondContact CE-O 3.19Å; K242-S335 CarbonylContact O-C 3.54Å; K242-S335 WeakPolarHBondContact O-CA 3.49Å; K242-S335 WeakPolarHBondContact O-CB 3.46Å; K242-G336 WeakPolarHBondContact CG-O 3.35Å; K242-G336 PolarHBondContact N-O 3.34Å; K242-G336 PolarHBondContact O-N 2.95Å
243	S	96.4	Very high	97	Very high	2 Å²	2	40 Å²	40	1%	0.014	22%	0.217	C	C	.	.			trans	-92.5	176.8	164.8	60.4	0	0	0	0	110.7	P222 G223 S245 F246 S335	P222-S243 WeakPolarHBondContact O-CB 3.37Å; P222-S243 PolarHBondContact O-OG 3.23Å; G223-S243 VanDerWaalsContact CA-OG 3.25Å; G223-S243 WeakPolarHBondContact CA-OG 2.89Å; G223-S243 PolarHBondContact O-N 3.43Å; G223-S243 PolarHBondContact O-OG 3.4Å; S243-S245 PolarHBondContact O-N 3.04Å; S243-S245 PolarHBondContact OG-OG 2.73Å; S243-S245 VanDerWaalsContact OG-OG 3.04Å; S243-F246 PolarHBondContact O-N 3.41Å; S243-S335 WeakPolarHBondContact CA-OG 3.35Å
244	D	94.3	Very high	97	Very high	77 Å²	77	33.9 Å²	33.9	41%	0.412	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-12.5	177.3	57	-0	0	0	0	113.6	L247 F333 S335	D244-L247 VanDerWaalsContact O-CD2 3.26Å; D244-L247 WeakPolarHBondContact O-CD2 3.39Å; D244-F333 WeakPolarHBondContact CB-O 3.45Å; D244-S335 PolarHBondContact N-OG 3.44Å; D244-S335 VanDerWaalsContact N-OG 3.1Å
245	S	95	Very high	97.1	Very high	73 Å²	73	32.3 Å²	32.3	51%	0.51	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-18.4	172.8	68.2	0	0	0	0	113.6	G223 S243 L247	G223-S245 WeakPolarHBondContact CA-OG 2.95Å; S243-S245 PolarHBondContact O-N 3.04Å; S243-S245 PolarHBondContact OG-OG 2.73Å; S243-S245 VanDerWaalsContact OG-OG 3.04Å; S245-L247 PolarHBondContact O-N 2.99Å
246	F	95.6	Very high	97	Very high	23 Å²	23	30.5 Å²	30.5	10%	0.101	16%	0.163	C	C	.	.			trans	-85.2	99.6	170.7	-176.4	-88.2	0	0	0	109.7	G223 R224 K242 S243 D248 A253 W254	G223-F246 WeakPolarHBondContact O-CB 3.44Å; R224-F246 HydrophobicContact CB-CD2 4.45Å; R224-F246 HydrophobicContact CG-CD2 4.49Å; K242-F246 HydrophobicContact CB-CB 4.14Å; K242-F246 HydrophobicContact CB-CD1 4.26Å; K242-F246 HydrophobicContact CB-CG 4.4Å; K242-F246 HydrophobicContact CD-CD1 3.94Å; K242-F246 WeakPolarHBondContact CE-O 3.43Å; K242-F246 PolarHBondContact NZ-O 2.96Å; S243-F246 PolarHBondContact O-N 3.41Å; F246-D248 HydrophobicContact CE1-CB 3.83Å; F246-D248 WeakPolarHBondContact CE1-O 3.01Å; F246-D248 HydrophobicContact CZ-CB 3.89Å; F246-A253 HydrophobicContact CZ-CB 4.33Å; F246-W254 HydrophobicContact CZ-CB 4.06Å
247	L	94.7	Very high	97	Very high	93 Å²	93	25.7 Å²	25.7	49%	0.487	14%	0.143	S	C	.	.			trans	-86	-15	-169.2	-58	-176.1	0	0	0	114.6	D244 S245 A332 F333	D244-L247 VanDerWaalsContact O-CD2 3.26Å; D244-L247 WeakPolarHBondContact O-CD2 3.39Å; S245-L247 PolarHBondContact O-N 2.99Å; L247-A332 WeakPolarHBondContact O-CB 3.36Å; L247-F333 HydrophobicContact CD1-CE1 4.37Å; L247-F333 HydrophobicContact CD2-CD1 3.53Å; L247-F333 HydrophobicContact CD2-CE1 3.79Å
248	D	94.1	Very high	97	Very high	99 Å²	99	32.2 Å²	32.2	53%	0.529	17%	0.168	S	C	.	.	S	Bend	trans	-74.6	160.6	-177.2	-62.5	-44.2	0	0	0	112.6	F246 I250 A253	F246-D248 HydrophobicContact CE1-CB 3.83Å; F246-D248 WeakPolarHBondContact CE1-O 3.01Å; F246-D248 HydrophobicContact CZ-CB 3.89Å; D248-I250 PolarHBondContact O-N 3.19Å; D248-A253 HydrophobicContact CB-CB 3.44Å; D248-A253 VanDerWaalsContact CB-CB 3.44Å
249	D	94.6	Very high	96.9	Very high	27 Å²	27	31 Å²	31	14%	0.144	16%	0.161	C	C	.	.			trans	-58.3	106.5	167.9	175.7	5	0	0	0	109.6	F251 A252 A253 L275 R327	D249-F251 PolarHBondContact O-N 3.04Å; D249-F251 VanDerWaalsContact O-N 3.08Å; D249-F251 WeakPolarHBondContact OD1-CB 3.29Å; D249-F251 WeakPolarHBondContact OD1-CD2 3.3Å; D249-F251 PolarHBondContact OD1-N 3.08Å; D249-A252 HydrophobicContact CB-CB 4.24Å; D249-A252 PolarHBondContact O-N 2.99Å; D249-A252 WeakPolarHBondContact OD2-CB 3.33Å; D249-A253 VanDerWaalsContact O-CB 3.31Å; D249-A253 WeakPolarHBondContact O-CB 3.41Å; D249-A253 PolarHBondContact O-N 3.1Å; D249-L275 HydrophobicContact CB-CD1 4.07Å; D249-R327 IonicContact OD1-NE 2.95Å; D249-R327 IonicContact OD2-CZ 3.32Å; D249-R327 VanDerWaalsContact OD2-CZ 3.23Å; D249-R327 IonicContact OD2-NE 3.76Å; D249-R327 PolarHBondContact OD2-NE 2.89Å; D249-R327 IonicContact OD2-NH2 2.79Å; D249-R327 PolarHBondContact OD2-NH2 2.83Å
250	I	96.5	Very high	96.8	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.031	19%	0.189	C	C	.	.	I	π-helix	trans	-52.5	-35	-178.1	-175.5	164.8	0	0	0	112.4	K242 D248 W254 M255 L325 F338	K242-I250 HydrophobicContact CB-CD1 4.24Å; K242-I250 HydrophobicContact CD-CB 3.91Å; K242-I250 HydrophobicContact CD-CD1 3.9Å; K242-I250 HydrophobicContact CD-CG1 4.34Å; K242-I250 HydrophobicContact CG-CD1 3.83Å; D248-I250 PolarHBondContact O-N 3.19Å; I250-W254 HydrophobicContact CD1-CE3 4.15Å; I250-W254 HydrophobicContact CD1-CZ3 4.3Å; I250-W254 HydrophobicContact CG1-CE3 4.02Å; I250-W254 PolarHBondContact O-N 3.43Å; I250-M255 HydrophobicContact CD1-SD 4.33Å; I250-M255 HydrophobicContact CG1-CG 3.98Å; I250-M255 HydrophobicContact CG1-SD 3.92Å; I250-M255 WeakPolarHBondContact O-CG 3.2Å; I250-M255 PolarHBondContact O-N 3.35Å; I250-L325 HydrophobicContact CD1-CD1 4.42Å; I250-L325 HydrophobicContact CG2-CD1 4.08Å; I250-F338 HydrophobicContact CD1-CD2 4.37Å; I250-F338 HydrophobicContact CG2-CE2 4.27Å
251	F	97.6	Very high	96.8	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	19%	0.19	C	C	.	.	I	π-helix	trans	-70.8	-54.3	-178.9	-63.1	-83.9	0	0	0	110.8	D249 M255 A256 T265 T267 V285 C309 R327 F338	D249-F251 PolarHBondContact O-N 3.04Å; D249-F251 VanDerWaalsContact O-N 3.08Å; D249-F251 WeakPolarHBondContact OD1-CB 3.29Å; D249-F251 WeakPolarHBondContact OD1-CD2 3.3Å; D249-F251 PolarHBondContact OD1-N 3.08Å; F251-M255 HydrophobicContact CD1-CE 4.36Å; F251-M255 HydrophobicContact CD1-SD 3.91Å; F251-M255 HydrophobicContact CE1-CE 4.44Å; F251-M255 HydrophobicContact CE1-SD 4.21Å; F251-M255 PolarHBondContact O-N 2.82Å; F251-A256 VanDerWaalsContact O-CB 3.31Å; F251-A256 WeakPolarHBondContact O-CB 3.49Å; F251-A256 PolarHBondContact O-N 2.84Å; F251-T265 HydrophobicContact CD1-CG2 3.84Å; F251-T265 HydrophobicContact CD2-CG2 4.22Å; F251-T265 HydrophobicContact CE1-CG2 3.58Å; F251-T265 HydrophobicContact CE2-CG2 3.99Å; F251-T265 HydrophobicContact CG-CG2 4.13Å; F251-T265 HydrophobicContact CZ-CG2 3.63Å; F251-T267 HydrophobicContact CE2-CG2 4.13Å; F251-T267 HydrophobicContact CZ-CG2 3.95Å; F251-V285 HydrophobicContact CB-CG1 3.96Å; F251-V285 HydrophobicContact CB-CG2 4.12Å; F251-C309 HydrophobicContact CD1-CB 4.37Å; F251-C309 HydrophobicContact CE1-CB 4.16Å; F251-R327 HydrophobicContact CD2-CB 4.31Å; F251-R327 HydrophobicContact CD2-CG 4Å; F251-R327 HydrophobicContact CE2-CB 4.23Å; F251-R327 HydrophobicContact CE2-CG 4.42Å; F251-F338 HydrophobicContact CE1-CD1 4.44Å; F251-F338 AromaticContact CE1-CE1 3.97Å; F251-F338 HydrophobicContact CE1-CE1 3.97Å; F251-F338 HydrophobicContact CE1-CE2 4.04Å; F251-F338 AromaticContact CE1-CZ 3.78Å; F251-F338 HydrophobicContact CE1-CZ 3.78Å; F251-F338 HydrophobicContact CE2-CE2 4.14Å; F251-F338 HydrophobicContact CE2-CZ 4.01Å; F251-F338 HydrophobicContact CZ-CD2 4.47Å; F251-F338 AromaticContact CZ-CE1 3.74Å; F251-F338 HydrophobicContact CZ-CE1 3.74Å; F251-F338 AromaticContact CZ-CE2 3.59Å; F251-F338 HydrophobicContact CZ-CE2 3.59Å; F251-F338 AromaticContact CZ-CZ 3.18Å; F251-F338 HydrophobicContact CZ-CZ 3.18Å
252	A	97.1	Very high	96.7	Very high	3 Å²	3	40 Å²	40	3%	0.025	20%	0.201	C	C	.	.	I	π-helix	trans	-76.1	-47.7	-173.6	0	0	0	0	0	112.4	D249 Q257 N278 L281 V285	D249-A252 HydrophobicContact CB-CB 4.24Å; D249-A252 PolarHBondContact O-N 2.99Å; D249-A252 WeakPolarHBondContact OD2-CB 3.33Å; A252-Q257 WeakPolarHBondContact O-CG 3.44Å; A252-Q257 PolarHBondContact O-NE2 2.8Å; A252-N278 HydrophobicContact CB-CB 4.21Å; A252-L281 WeakPolarHBondContact O-CD1 3.45Å; A252-V285 HydrophobicContact CB-CB 4.45Å; A252-V285 HydrophobicContact CB-CG2 4.02Å
253	A	97.2	Very high	96.8	Very high	31 Å²	31	39.9 Å²	39.9	26%	0.256	20%	0.201	S	C	.	.	I	π-helix	trans	-78.9	-20	-174	0	0	0	0	0	113.5	F246 D248 D249	F246-A253 HydrophobicContact CZ-CB 4.33Å; D248-A253 HydrophobicContact CB-CB 3.44Å; D248-A253 VanDerWaalsContact CB-CB 3.44Å; D249-A253 VanDerWaalsContact O-CB 3.31Å; D249-A253 WeakPolarHBondContact O-CB 3.41Å; D249-A253 PolarHBondContact O-N 3.1Å
254	W	98.1	Very high	96.9	Very high	20 Å²	20	40.3 Å²	40.3	8%	0.076	20%	0.203	C	C	.	.	I	π-helix	trans	-133.1	-62.2	-175	-168.9	29.2	0	0	0	115.3	R224 L225 L226 F240 A241 F246 I250 Q257 R258	R224-W254 HydrophobicContact CB-CE3 4.22Å; R224-W254 HydrophobicContact CB-CH2 3.62Å; R224-W254 HydrophobicContact CB-CZ2 4.1Å; R224-W254 HydrophobicContact CB-CZ3 3.69Å; R224-W254 HydrophobicContact CG-CH2 4.23Å; R224-W254 HydrophobicContact CG-CZ2 4.2Å; L225-W254 WeakPolarHBondContact O-CH2 2.98Å; L226-W254 HydrophobicContact CB-CH2 4.42Å; L226-W254 HydrophobicContact CB-CZ2 3.9Å; F240-W254 HydrophobicContact CB-CH2 4.26Å; F240-W254 HydrophobicContact CB-CZ3 4.05Å; F240-W254 AromaticContact CD1-CD2 3.87Å; F240-W254 HydrophobicContact CD1-CD2 3.87Å; F240-W254 AromaticContact CD1-CE2 3.79Å; F240-W254 AromaticContact CD1-CE3 3.95Å; F240-W254 HydrophobicContact CD1-CE3 3.95Å; F240-W254 AromaticContact CD1-CH2 3.83Å; F240-W254 HydrophobicContact CD1-CH2 3.83Å; F240-W254 AromaticContact CD1-CZ2 3.81Å; F240-W254 HydrophobicContact CD1-CZ2 3.81Å; F240-W254 AromaticContact CD1-CZ3 3.91Å; F240-W254 HydrophobicContact CD1-CZ3 3.91Å; F240-W254 HydrophobicContact CE1-CD2 4.33Å; F240-W254 HydrophobicContact CE1-CZ2 4.35Å; F240-W254 HydrophobicContact CG-CZ3 4.5Å; A241-W254 WeakPolarHBondContact O-CH2 3.5Å; A241-W254 WeakPolarHBondContact O-CZ3 3.42Å; F246-W254 HydrophobicContact CZ-CB 4.06Å; I250-W254 HydrophobicContact CD1-CE3 4.15Å; I250-W254 HydrophobicContact CD1-CZ3 4.3Å; I250-W254 HydrophobicContact CG1-CE3 4.02Å; I250-W254 PolarHBondContact O-N 3.43Å; W254-Q257 PolarHBondContact O-N 2.82Å; W254-R258 WeakPolarHBondContact O-CB 3.36Å; W254-R258 PolarHBondContact O-N 2.98Å
255	M	98.4	Very high	97	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.183	C	C	.	.	I	π-helix	trans	-61.6	-52.1	-171.6	-67.8	171.9	66.6	0	0	112	F240 I250 F251 Q257 R258 L259 L263 C321 F338	F240-M255 HydrophobicContact CB-CG 4.47Å; F240-M255 HydrophobicContact CD1-CG 3.89Å; F240-M255 HydrophobicContact CD2-CG 4.36Å; F240-M255 HydrophobicContact CE1-CG 4.17Å; F240-M255 HydrophobicContact CG-CG 4Å; I250-M255 HydrophobicContact CD1-SD 4.33Å; I250-M255 HydrophobicContact CG1-CG 3.98Å; I250-M255 HydrophobicContact CG1-SD 3.92Å; I250-M255 WeakPolarHBondContact O-CG 3.2Å; I250-M255 PolarHBondContact O-N 3.35Å; F251-M255 HydrophobicContact CD1-CE 4.36Å; F251-M255 HydrophobicContact CD1-SD 3.91Å; F251-M255 HydrophobicContact CE1-CE 4.44Å; F251-M255 HydrophobicContact CE1-SD 4.21Å; F251-M255 PolarHBondContact O-N 2.82Å; M255-Q257 VanDerWaalsContact C-N 3.31Å; M255-Q257 PolarHBondContact O-N 2.87Å; M255-R258 PolarHBondContact O-N 2.89Å; M255-L259 VanDerWaalsContact O-CB 3.25Å; M255-L259 WeakPolarHBondContact O-CB 3.1Å; M255-L259 WeakPolarHBondContact O-CG 3.47Å; M255-L259 PolarHBondContact O-N 3.34Å; M255-L263 HydrophobicContact CB-CD1 4.06Å; M255-C321 HydrophobicContact CE-CB 3.73Å; M255-C321 VanDerWaalsContact CE-SG 3.58Å; M255-F338 HydrophobicContact CE-CB 3.65Å; M255-F338 HydrophobicContact CE-CD1 4.42Å; M255-F338 HydrophobicContact CE-CD2 4.22Å; M255-F338 HydrophobicContact CE-CG 3.84Å; M255-F338 HydrophobicContact SD-CB 4.13Å; M255-F338 HydrophobicContact SD-CD2 3.76Å; M255-F338 HydrophobicContact SD-CE2 4.48Å; M255-F338 HydrophobicContact SD-CG 4.02Å
256	A	98.2	Very high	97.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.9	-43.5	180	0	0	0	0	0	111.7	F251 K260 T261 L263 Y283 V285	F251-A256 VanDerWaalsContact O-CB 3.31Å; F251-A256 WeakPolarHBondContact O-CB 3.49Å; F251-A256 PolarHBondContact O-N 2.84Å; A256-K260 WeakPolarHBondContact O-CA 3.34Å; A256-K260 PolarHBondContact O-N 3.12Å; A256-T261 PolarHBondContact O-N 2.66Å; A256-L263 HydrophobicContact CB-CD1 3.87Å; A256-L263 HydrophobicContact CB-CG 4.08Å; A256-Y283 WeakPolarHBondContact CB-O 3.37Å; A256-V285 HydrophobicContact CB-CG2 3.8Å
257	Q	98.1	Very high	97	Very high	44 Å²	44	32.1 Å²	32.1	21%	0.206	15%	0.154	C	C	.	.	H	α-helix	trans	-67.6	-41.1	180	-48.9	-42.8	-50.9	0	0	112	A252 W254 M255 K260 L281 Y283	A252-Q257 WeakPolarHBondContact O-CG 3.44Å; A252-Q257 PolarHBondContact O-NE2 2.8Å; W254-Q257 PolarHBondContact O-N 2.82Å; M255-Q257 VanDerWaalsContact C-N 3.31Å; M255-Q257 PolarHBondContact O-N 2.87Å; Q257-K260 PolarHBondContact O-N 3.14Å; Q257-L281 HydrophobicContact CG-CD1 4.37Å; Q257-Y283 PolarHBondContact NE2-O 2.82Å
258	R	98.1	Very high	96.8	Very high	140 Å²	140	31.1 Å²	31.1	53%	0.528	14%	0.144	S	C	.	.	H	α-helix	trans	-72	-38.8	-178.6	-175.6	62.6	-178.5	100.8	-6.7	112.3	L226 F240 W254 M255 K260	L226-R258 HydrophobicContact CD2-CG 3.84Å; L226-R258 VanDerWaalsContact CD2-NE 3.33Å; F240-R258 HydrophobicContact CE1-CB 3.91Å; F240-R258 HydrophobicContact CE1-CG 3.86Å; F240-R258 HydrophobicContact CZ-CB 4.18Å; F240-R258 HydrophobicContact CZ-CG 3.99Å; W254-R258 WeakPolarHBondContact O-CB 3.36Å; W254-R258 PolarHBondContact O-N 2.98Å; M255-R258 PolarHBondContact O-N 2.89Å; R258-K260 VanDerWaalsContact C-N 3.28Å
259	L	97.8	Very high	96.5	Very high	7 Å²	7	27 Å²	27	4%	0.037	12%	0.121	C	C	.	.	H	α-helix	trans	-79.5	-12.4	177.5	-63.3	-176.9	0	0	0	112.8	L238 F240 M255 T261 W319	L238-L259 HydrophobicContact CD1-CD2 3.9Å; F240-L259 HydrophobicContact CE2-CD2 4Å; F240-L259 HydrophobicContact CE2-CG 4.34Å; F240-L259 HydrophobicContact CZ-CD2 3.82Å; F240-L259 HydrophobicContact CZ-CG 4.02Å; M255-L259 VanDerWaalsContact O-CB 3.25Å; M255-L259 WeakPolarHBondContact O-CB 3.1Å; M255-L259 WeakPolarHBondContact O-CG 3.47Å; M255-L259 PolarHBondContact O-N 3.34Å; L259-T261 VanDerWaalsContact C-N 3.35Å; L259-T261 HydrophobicContact CB-CG2 3.92Å; L259-T261 PolarHBondContact O-N 2.87Å; L259-W319 HydrophobicContact CD1-CB 4.33Å; L259-W319 HydrophobicContact CD1-CD2 4.21Å; L259-W319 HydrophobicContact CD1-CG 4.02Å; L259-W319 HydrophobicContact CD2-CD2 3.92Å; L259-W319 HydrophobicContact CD2-CE3 4.25Å; L259-W319 HydrophobicContact CD2-CG 4.47Å; L259-W319 HydrophobicContact CD2-CH2 4.2Å; L259-W319 HydrophobicContact CD2-CZ2 3.85Å; L259-W319 HydrophobicContact CD2-CZ3 4.37Å
260	K	96.9	Very high	95.9	Very high	136 Å²	136	30.2 Å²	30.2	59%	0.591	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	47.7	180	-62	-174.9	179.9	-175.4	0	112.1	A256 Q257 R258 Y283	A256-K260 WeakPolarHBondContact O-CA 3.34Å; A256-K260 PolarHBondContact O-N 3.12Å; Q257-K260 PolarHBondContact O-N 3.14Å; R258-K260 VanDerWaalsContact C-N 3.28Å; K260-Y283 VanDerWaalsContact CA-CZ 3.43Å; K260-Y283 HydrophobicContact CB-CE1 4.15Å; K260-Y283 HydrophobicContact CB-CE2 3.89Å; K260-Y283 WeakPolarHBondContact CB-OH 3.4Å; K260-Y283 HydrophobicContact CG-CE2 4.02Å; K260-Y283 WeakPolarHBondContact O-CE1 3.12Å
261	T	97.4	Very high	94.9	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.031	16%	0.164	C	C	.	.	S	Bend	trans	-152.7	149.1	179.5	-175	0	0	0	0	111.7	A256 L259 L263 S311	A256-T261 PolarHBondContact O-N 2.66Å; L259-T261 VanDerWaalsContact C-N 3.35Å; L259-T261 HydrophobicContact CB-CG2 3.92Å; L259-T261 PolarHBondContact O-N 2.87Å; T261-L263 HydrophobicContact CG2-CD2 3.86Å; T261-S311 WeakPolarHBondContact OG1-CB 3.34Å
262	H	97.8	Very high	94	Very high	51 Å²	51	48.4 Å²	48.4	24%	0.236	20%	0.204	C	C	.	.			trans	-62.4	141.3	163.9	-54.9	-60.7	0	0	0	110.2	H284 Y286 S311 Q312	H262-H284 CarbonylContact C-O 3.48Å; H262-H284 VanDerWaalsContact CA-O 3.23Å; H262-H284 WeakPolarHBondContact CA-O 3.42Å; H262-H284 AromaticContact CE1-CG 3.81Å; H262-H284 AromaticContact CE1-ND1 3.7Å; H262-H284 WeakPolarHBondContact ND1-CB 3.44Å; H262-H284 AromaticContact ND1-CG 3.58Å; H262-H284 PolarHBondContact ND1-N 2.78Å; H262-H284 AromaticContact ND1-ND1 3.78Å; H262-Y286 HydrophobicContact CB-CE2 4.24Å; H262-S311 WeakPolarHBondContact O-CA 3.22Å; H262-Q312 HydrophobicContact CB-CB 4.11Å; H262-Q312 PolarHBondContact O-N 3.29Å; H262-Q312 VanDerWaalsContact O-N 3.09Å
263	L	98.4	Very high	93.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	137.8	179.2	-63.3	177.3	0	0	0	111.5	M255 A256 T261 H284 V285 Y286 C309 I310	M255-L263 HydrophobicContact CB-CD1 4.06Å; A256-L263 HydrophobicContact CB-CD1 3.87Å; A256-L263 HydrophobicContact CB-CG 4.08Å; T261-L263 HydrophobicContact CG2-CD2 3.86Å; L263-H284 PolarHBondContact N-O 2.84Å; L263-V285 HydrophobicContact CB-CG2 4.35Å; L263-V285 WeakPolarHBondContact O-CA 3.32Å; L263-Y286 PolarHBondContact O-N 3.47Å; L263-C309 HydrophobicContact CB-CB 4.48Å; L263-I310 CarbonylContact C-O 3.51Å; L263-I310 WeakPolarHBondContact CA-O 3.34Å
264	L	98.4	Very high	92.9	Very high	10 Å²	10	52.9 Å²	52.9	5%	0.052	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	119	163.9	-51.3	-178.2	0	0	0	107.3	Y286 I288 C309 I310 V354 Y357	L264-Y286 HydrophobicContact CD2-CD2 3.86Å; L264-Y286 HydrophobicContact CD2-CG 4.21Å; L264-I288 HydrophobicContact CB-CD1 3.9Å; L264-I288 HydrophobicContact CB-CG1 3.94Å; L264-C309 CarbonylContact O-C 3.53Å; L264-C309 WeakPolarHBondContact O-CA 3.16Å; L264-C309 VanDerWaalsContact O-CB 3.26Å; L264-C309 WeakPolarHBondContact O-CB 3.46Å; L264-I310 HydrophobicContact CB-CG1 4.01Å; L264-I310 HydrophobicContact CD1-CD1 4.39Å; L264-I310 HydrophobicContact CD1-CG1 4.39Å; L264-I310 HydrophobicContact CG-CG1 4.48Å; L264-I310 PolarHBondContact N-O 3.16Å; L264-I310 PolarHBondContact O-N 2.88Å; L264-V354 HydrophobicContact CD1-CG1 4.2Å; L264-V354 HydrophobicContact CD1-CG2 4.36Å; L264-Y357 HydrophobicContact CD1-CD1 4.07Å; L264-Y357 HydrophobicContact CD1-CE1 4.22Å; L264-Y357 HydrophobicContact CD2-CD1 3.87Å; L264-Y357 HydrophobicContact CD2-CD2 4.1Å; L264-Y357 HydrophobicContact CD2-CE1 4.01Å; L264-Y357 HydrophobicContact CD2-CE2 4.24Å; L264-Y357 HydrophobicContact CD2-CG 3.91Å
265	T	97.9	Very high	92.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.1	-168.4	-61.4	0	0	0	0	111	F251 T267 V285 Y286 I288 C309	F251-T265 HydrophobicContact CD1-CG2 3.84Å; F251-T265 HydrophobicContact CD2-CG2 4.22Å; F251-T265 HydrophobicContact CE1-CG2 3.58Å; F251-T265 HydrophobicContact CE2-CG2 3.99Å; F251-T265 HydrophobicContact CG-CG2 4.13Å; F251-T265 HydrophobicContact CZ-CG2 3.63Å; T265-T267 HydrophobicContact CG2-CG2 3.84Å; T265-V285 WeakPolarHBondContact OG1-CG1 3.02Å; T265-Y286 PolarHBondContact N-O 3.01Å; T265-I288 PolarHBondContact O-N 2.81Å; T265-C309 HydrophobicContact CG2-CB 4.31Å; T265-C309 WeakPolarHBondContact OG1-CB 3.41Å
266	E	97.6	Very high	92.4	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	121.5	168.3	175.4	53	-121	0	0	108.4	I288 I291 S301 K307 W308	E266-I288 HydrophobicContact CB-CB 4.23Å; E266-I288 HydrophobicContact CB-CD1 4Å; E266-I288 WeakPolarHBondContact OE2-CG2 3.37Å; E266-I291 HydrophobicContact CG-CD1 4.44Å; E266-I291 WeakPolarHBondContact OE2-CD1 3.35Å; E266-S301 VanDerWaalsContact OE1-CB 3.27Å; E266-S301 WeakPolarHBondContact OE1-CB 3.21Å; E266-S301 PolarHBondContact OE1-OG 3.49Å; E266-S301 WeakPolarHBondContact OE2-CB 3.11Å; E266-S301 PolarHBondContact OE2-OG 3.09Å; E266-K307 WeakPolarHBondContact O-CA 3.33Å; E266-W308 HydrophobicContact CB-CD2 3.88Å; E266-W308 VanDerWaalsContact CB-CE2 3.45Å; E266-W308 HydrophobicContact CB-CG 4.16Å; E266-W308 HydrophobicContact CB-CZ2 3.89Å; E266-W308 HydrophobicContact CG-CZ2 4.32Å; E266-W308 VanDerWaalsContact CG-NE1 3.34Å; E266-W308 PolarHBondContact N-O 3.34Å; E266-W308 PolarHBondContact O-N 3.39Å
267	T	91.8	Very high	92.4	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.006	26%	0.258	C	S	.	.			trans	-149.3	160.7	169.6	61.9	0	0	0	0	107.9	F251 T265 Q269 S301 K307 L325 R327	F251-T267 HydrophobicContact CE2-CG2 4.13Å; F251-T267 HydrophobicContact CZ-CG2 3.95Å; T265-T267 HydrophobicContact CG2-CG2 3.84Å; T267-Q269 WeakPolarHBondContact O-CG 3.39Å; T267-Q269 PolarHBondContact O-N 3.33Å; T267-S301 PolarHBondContact O-OG 3.29Å; T267-K307 HydrophobicContact CG2-CB 4.48Å; T267-K307 HydrophobicContact CG2-CG 4.38Å; T267-L325 WeakPolarHBondContact CG2-O 2.97Å; T267-R327 HydrophobicContact CG2-CB 4.25Å; T267-R327 WeakPolarHBondContact OG1-CB 3.46Å; T267-R327 PolarHBondContact OG1-N 2.78Å; T267-R327 VanDerWaalsContact OG1-N 3.09Å
268	W	90.8	Very high	92.3	Very high	73 Å²	73	58.9 Å²	58.9	28%	0.277	26%	0.26	S	S	.	.			trans	-59.2	99.3	-176.4	-172.6	27.3	0	0	0	112.9	R270 Y302 D304 H305 N326	W268-R270 HydrophobicContact CD2-CG 3.8Å; W268-R270 VanDerWaalsContact CE2-CG 3.49Å; W268-R270 HydrophobicContact CE3-CG 4.36Å; W268-R270 HydrophobicContact CG-CG 4.2Å; W268-R270 HydrophobicContact CH2-CG 4.4Å; W268-R270 HydrophobicContact CZ2-CG 3.82Å; W268-R270 PolarHBondContact O-N 2.83Å; W268-Y302 PolarHBondContact NE1-O 2.93Å; W268-D304 VanDerWaalsContact CA-O 3.22Å; W268-D304 WeakPolarHBondContact CA-O 3.18Å; W268-D304 WeakPolarHBondContact CB-O 3.45Å; W268-H305 AromaticContact CD1-CD2 3.93Å; W268-H305 AromaticContact CD2-CD2 3.46Å; W268-H305 VanDerWaalsContact CD2-CD2 3.46Å; W268-H305 AromaticContact CD2-NE2 3.46Å; W268-H305 AromaticContact CE2-CD2 3.66Å; W268-H305 AromaticContact CE2-NE2 3.36Å; W268-H305 AromaticContact CE3-CD2 3.84Å; W268-H305 AromaticContact CE3-NE2 3.57Å; W268-H305 AromaticContact CG-CD2 3.68Å; W268-H305 AromaticContact CH2-NE2 3.5Å; W268-H305 AromaticContact CZ2-NE2 3.4Å; W268-H305 WeakPolarHBondContact CZ2-NE2 3.32Å; W268-H305 AromaticContact CZ3-NE2 3.59Å; W268-H305 AromaticContact NE1-CD2 3.94Å; W268-H305 AromaticContact NE1-NE2 4Å; W268-N326 WeakPolarHBondContact CB-OD1 3.38Å; W268-N326 PolarHBondContact N-OD1 3.44Å; W268-N326 VanDerWaalsContact N-OD1 3.11Å
269	Q	86.9	Confident	92.3	Very high	11 Å²	11	54.3 Å²	54.3	5%	0.051	25%	0.249	C	C	.	.			trans	-90.5	84.5	-176.3	-80.4	174.2	59.9	0	0	111.5	T267 E274 I288 Y302	T267-Q269 WeakPolarHBondContact O-CG 3.39Å; T267-Q269 PolarHBondContact O-N 3.33Å; Q269-E274 HydrophobicContact CG-CB 4.08Å; Q269-I288 PolarHBondContact NE2-O 3.29Å; Q269-Y302 WeakPolarHBondContact O-CD2 3.25Å
270	R	82.1	Confident	92.2	Very high	96 Å²	96	58.6 Å²	58.6	36%	0.362	28%	0.28	S	S	.	.			trans	-78.8	120.4	169.7	-62.8	-178.4	69.6	-172.3	2.7	109.2	W268 R272 Q273	W268-R270 HydrophobicContact CD2-CG 3.8Å; W268-R270 VanDerWaalsContact CE2-CG 3.49Å; W268-R270 HydrophobicContact CE3-CG 4.36Å; W268-R270 HydrophobicContact CG-CG 4.2Å; W268-R270 HydrophobicContact CH2-CG 4.4Å; W268-R270 HydrophobicContact CZ2-CG 3.82Å; W268-R270 PolarHBondContact O-N 2.83Å; R270-R272 PolarHBondContact O-N 3.12Å; R270-Q273 HydrophobicContact CB-CB 4.14Å; R270-Q273 HydrophobicContact CB-CG 4.31Å; R270-Q273 WeakPolarHBondContact O-CA 3.47Å; R270-Q273 WeakPolarHBondContact O-CB 3.35Å; R270-Q273 PolarHBondContact O-N 2.96Å
271	K	77	Confident	92.3	Very high	161 Å²	161	55.3 Å²	55.3	70%	0.7	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43	127.9	177.5	-168.6	178.2	-177.7	175.2	0	112.1	Q273 E274	K271-Q273 VanDerWaalsContact C-N 3.26Å; K271-Q273 PolarHBondContact O-N 3.11Å; K271-E274 WeakPolarHBondContact CA-OE2 3.43Å
272	R	78.6	Confident	92.3	Very high	228 Å²	228	59.7 Å²	59.7	86%	0.86	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	12.3	-176.8	-56.7	175.4	177.6	171.6	-2.4	115.3	R270 E274	R270-R272 PolarHBondContact O-N 3.12Å; R272-E274 WeakPolarHBondContact CA-OE2 3.31Å; R272-E274 PolarHBondContact N-OE2 3.41Å
273	Q	83.4	Confident	92.3	Very high	71 Å²	71	60.9 Å²	60.9	33%	0.332	30%	0.299	S	S	.	.	S	Bend	trans	-121.9	-4.4	175.2	-54.9	-174.1	5.3	0	0	111.7	R270 K271 S328 P329	R270-Q273 HydrophobicContact CB-CB 4.14Å; R270-Q273 HydrophobicContact CB-CG 4.31Å; R270-Q273 WeakPolarHBondContact O-CA 3.47Å; R270-Q273 WeakPolarHBondContact O-CB 3.35Å; R270-Q273 PolarHBondContact O-N 2.96Å; K271-Q273 VanDerWaalsContact C-N 3.26Å; K271-Q273 PolarHBondContact O-N 3.11Å; Q273-S328 WeakPolarHBondContact O-CA 3.47Å; Q273-S328 WeakPolarHBondContact O-CB 3.34Å; Q273-P329 VanDerWaalsContact O-CD 3.26Å; Q273-P329 WeakPolarHBondContact O-CD 3.4Å
274	E	87.6	Confident	92.2	Very high	57 Å²	57	63.2 Å²	63.2	27%	0.266	31%	0.31	S	S	.	.	S	Bend	trans	-87.1	144.8	179.7	70	-82.3	-143.5	0	0	112.2	Q269 K271 R272	Q269-E274 HydrophobicContact CG-CB 4.08Å; K271-E274 WeakPolarHBondContact CA-OE2 3.43Å; R272-E274 WeakPolarHBondContact CA-OE2 3.31Å; R272-E274 PolarHBondContact N-OE2 3.41Å
275	L	92.4	Very high	92.2	Very high	46 Å²	46	62.7 Å²	62.7	24%	0.241	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-74.9	141.6	161.1	-67.3	171.1	0	0	0	108.7	D249 N287 R327 P329	D249-L275 HydrophobicContact CB-CD1 4.07Å; L275-N287 PolarHBondContact O-ND2 2.88Å; L275-R327 HydrophobicContact CB-CG 4.26Å; L275-R327 HydrophobicContact CD1-CG 4.17Å; L275-R327 PolarHBondContact N-O 2.96Å; L275-P329 HydrophobicContact CD2-CG 3.8Å; L275-P329 HydrophobicContact CG-CG 4.37Å
276	P	94.2	Very high	92.2	Very high	86 Å²	86	64.1 Å²	64.1	56%	0.558	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-67.7	165.6	176.3	29.9	-35.4	0	0	0	111.9	N278 R327	P276-N278 PolarHBondContact O-N 3.07Å; P276-R327 VanDerWaalsContact O-CZ 3.32Å; P276-R327 PolarHBondContact O-NH1 3.49Å; P276-R327 PolarHBondContact O-NH2 2.86Å
277	S	96.6	Very high	92.2	Very high	13 Å²	13	64.1 Å²	64.1	9%	0.091	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-50.9	137.5	163.2	-67.9	0	0	0	0	109.7	V285 Y286 N287 E358	S277-V285 CarbonylContact C-O 3.51Å; S277-V285 WeakPolarHBondContact CA-O 3.48Å; S277-Y286 WeakPolarHBondContact OG-CA 3.43Å; S277-N287 PolarHBondContact N-ND2 2.82Å; S277-N287 PolarHBondContact OG-N 2.73Å; S277-E358 WeakPolarHBondContact CB-O 3.49Å; S277-E358 PolarHBondContact OG-O 3.37Å
278	N	97	Very high	92.5	Very high	45 Å²	45	64.1 Å²	64.1	24%	0.241	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-121.3	119.3	-173.1	-176.9	-35.1	0	0	0	110.4	A252 P276 S280 H284 V285	A252-N278 HydrophobicContact CB-CB 4.21Å; P276-N278 PolarHBondContact O-N 3.07Å; N278-S280 PolarHBondContact OD1-N 3.02Å; N278-S280 PolarHBondContact OD1-OG 2.88Å; N278-H284 WeakPolarHBondContact O-CA 3.41Å; N278-V285 PolarHBondContact N-O 2.93Å; N278-V285 PolarHBondContact O-N 3.34Å
279	C	97.5	Very high	92.7	Very high	44 Å²	44	62.4 Å²	62.4	30%	0.297	31%	0.308	S	S	.	.			trans	-121.1	23.1	175.7	-63.4	0	0	0	0	112.6	L281 H284 C360	C279-L281 VanDerWaalsContact C-N 3.34Å; C279-H284 VanDerWaalsContact CA-CD2 3.42Å; C279-H284 WeakPolarHBondContact CA-CD2 3.45Å; C279-H284 HydrophobicContact CB-CB 4.34Å; C279-C360 HydrophobicContact CB-CB 3.66Å; C279-C360 WeakPolarHBondContact CB-SG 3.4Å; C279-C360 PolarHBondContact N-SG 3.23Å; C279-C360 WeakPolarHBondContact SG-CB 3.19Å; C279-C360 CovalentContact SG-SG 2.02Å; C279-C360 PolarHBondContact SG-SG 2.75Å
280	S	97.1	Very high	93.1	Very high	97 Å²	97	62.5 Å²	62.5	68%	0.678	31%	0.31	S	S	*	.	S	Bend	trans	-83.7	-9.3	-178.4	72.4	0	0	0	0	113.7	N278	N278-S280 PolarHBondContact OD1-N 3.02Å; N278-S280 PolarHBondContact OD1-OG 2.88Å
281	L	97.4	Very high	93.8	Very high	66 Å²	66	57.9 Å²	57.9	35%	0.346	29%	0.293	S	S	.	.	S	Bend	trans	-119.6	160.7	179.3	-66.2	177.1	0	0	0	110.6	A252 Q257 C279 Y283 H284	A252-L281 WeakPolarHBondContact O-CD1 3.45Å; Q257-L281 HydrophobicContact CG-CD1 4.37Å; C279-L281 VanDerWaalsContact C-N 3.34Å; L281-Y283 PolarHBondContact O-N 2.98Å; L281-Y283 VanDerWaalsContact O-N 3.08Å; L281-H284 PolarHBondContact O-CD2 2.45Å
282	P	97.4	Very high	94.7	Very high	97 Å²	97	54.6 Å²	54.6	63%	0.63	28%	0.279	S	S	*	.	S	Bend	trans	-53.7	-36.2	-174.2	-29.3	36	0	0	0	115.2
283	Y	97.7	Very high	95.1	Very high	76 Å²	76	44.8 Å²	44.8	30%	0.298	24%	0.243	S	C	.	.	S	Bend	trans	-108.9	104.9	175.4	-62.5	-74.3	0	0	0	111.1	A256 Q257 K260 L281	A256-Y283 WeakPolarHBondContact CB-O 3.37Å; Q257-Y283 PolarHBondContact NE2-O 2.82Å; K260-Y283 VanDerWaalsContact CA-CZ 3.43Å; K260-Y283 HydrophobicContact CB-CE1 4.15Å; K260-Y283 HydrophobicContact CB-CE2 3.89Å; K260-Y283 WeakPolarHBondContact CB-OH 3.4Å; K260-Y283 HydrophobicContact CG-CE2 4.02Å; K260-Y283 WeakPolarHBondContact O-CE1 3.12Å; L281-Y283 PolarHBondContact O-N 2.98Å; L281-Y283 VanDerWaalsContact O-N 3.08Å
284	H	97.6	Very high	95	Very high	49 Å²	49	46.7 Å²	46.7	23%	0.227	26%	0.264	C	S	.	.			trans	-67.7	155.9	-177	-48.6	156.6	0	0	0	114.9	H262 L263 N278 C279 L281 Y286	H262-H284 CarbonylContact C-O 3.48Å; H262-H284 VanDerWaalsContact CA-O 3.23Å; H262-H284 WeakPolarHBondContact CA-O 3.42Å; H262-H284 AromaticContact CE1-CG 3.81Å; H262-H284 AromaticContact CE1-ND1 3.7Å; H262-H284 WeakPolarHBondContact ND1-CB 3.44Å; H262-H284 AromaticContact ND1-CG 3.58Å; H262-H284 PolarHBondContact ND1-N 2.78Å; H262-H284 AromaticContact ND1-ND1 3.78Å; L263-H284 PolarHBondContact N-O 2.84Å; N278-H284 WeakPolarHBondContact O-CA 3.41Å; C279-H284 VanDerWaalsContact CA-CD2 3.42Å; C279-H284 WeakPolarHBondContact CA-CD2 3.45Å; C279-H284 HydrophobicContact CB-CB 4.34Å; L281-H284 PolarHBondContact O-CD2 2.45Å; H284-Y286 HydrophobicContact CB-CE1 4.48Å; H284-Y286 HydrophobicContact CB-CE2 3.74Å; H284-Y286 AromaticContact ND1-CZ 3.94Å; H284-Y286 PolarHBondContact ND1-OH 2.7Å
285	V	97.9	Very high	94.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124	172.9	179.8	0	0	0	0	109.9	F251 A252 A256 L263 T265 S277 N278	F251-V285 HydrophobicContact CB-CG1 3.96Å; F251-V285 HydrophobicContact CB-CG2 4.12Å; A252-V285 HydrophobicContact CB-CB 4.45Å; A252-V285 HydrophobicContact CB-CG2 4.02Å; A256-V285 HydrophobicContact CB-CG2 3.8Å; L263-V285 HydrophobicContact CB-CG2 4.35Å; L263-V285 WeakPolarHBondContact O-CA 3.32Å; T265-V285 WeakPolarHBondContact OG1-CG1 3.02Å; S277-V285 CarbonylContact C-O 3.51Å; S277-V285 WeakPolarHBondContact CA-O 3.48Å; N278-V285 PolarHBondContact N-O 2.93Å; N278-V285 PolarHBondContact O-N 3.34Å
286	Y	98	Very high	93.5	Very high	29 Å²	29	53.8 Å²	53.8	11%	0.114	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	138.8	-179.2	-55.7	-80.7	0	0	0	111.1	H262 L263 L264 T265 S277 H284 Y357	H262-Y286 HydrophobicContact CB-CE2 4.24Å; L263-Y286 PolarHBondContact O-N 3.47Å; L264-Y286 HydrophobicContact CD2-CD2 3.86Å; L264-Y286 HydrophobicContact CD2-CG 4.21Å; T265-Y286 PolarHBondContact N-O 3.01Å; S277-Y286 WeakPolarHBondContact OG-CA 3.43Å; H284-Y286 HydrophobicContact CB-CE1 4.48Å; H284-Y286 HydrophobicContact CB-CE2 3.74Å; H284-Y286 AromaticContact ND1-CZ 3.94Å; H284-Y286 PolarHBondContact ND1-OH 2.7Å; Y286-Y357 HydrophobicContact CD1-CD2 4.3Å; Y286-Y357 HydrophobicContact CD1-CE2 4.29Å; Y286-Y357 HydrophobicContact CG-CD2 4.05Å; Y286-Y357 HydrophobicContact CG-CE2 4.16Å
287	N	97.2	Very high	93.1	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	120.7	177	-73.4	-21.8	0	0	0	111.3	L275 S277 R327 Y357 E358	L275-N287 PolarHBondContact O-ND2 2.88Å; S277-N287 PolarHBondContact N-ND2 2.82Å; S277-N287 PolarHBondContact OG-N 2.73Å; N287-R327 PolarHBondContact OD1-NH1 3.29Å; N287-Y357 CarbonylContact O-C 3.48Å; N287-Y357 WeakPolarHBondContact O-CA 3.34Å; N287-Y357 WeakPolarHBondContact O-CB 3.47Å; N287-E358 PolarHBondContact O-N 3.46Å
288	I	97.6	Very high	93	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.2	168.9	-63.8	168.4	0	0	0	108.2	L264 T265 E266 Q269 S301 W308 V354	L264-I288 HydrophobicContact CB-CD1 3.9Å; L264-I288 HydrophobicContact CB-CG1 3.94Å; T265-I288 PolarHBondContact O-N 2.81Å; E266-I288 HydrophobicContact CB-CB 4.23Å; E266-I288 HydrophobicContact CB-CD1 4Å; E266-I288 WeakPolarHBondContact OE2-CG2 3.37Å; Q269-I288 PolarHBondContact NE2-O 3.29Å; I288-S301 WeakPolarHBondContact O-CB 3.47Å; I288-W308 HydrophobicContact CD1-CE3 4.5Å; I288-W308 HydrophobicContact CD1-CH2 3.66Å; I288-W308 HydrophobicContact CD1-CZ2 4.19Å; I288-W308 HydrophobicContact CD1-CZ3 3.82Å; I288-V354 HydrophobicContact CD1-CG2 3.81Å; I288-V354 HydrophobicContact CG1-CG1 4.38Å; I288-V354 HydrophobicContact CG1-CG2 4.46Å
289	K	96	Very high	92.8	Very high	38 Å²	38	55.8 Å²	55.8	17%	0.165	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-24.7	-176.9	-65.3	-66.7	-179.4	-177.7	0	112.6	S301 Y356 E358	K289-S301 PolarHBondContact O-N 2.76Å; K289-Y356 HydrophobicContact CB-CD1 3.49Å; K289-Y356 VanDerWaalsContact CB-CD1 3.49Å; K289-Y356 HydrophobicContact CB-CE1 3.74Å; K289-Y356 HydrophobicContact CG-CD1 4.06Å; K289-Y356 HydrophobicContact CG-CE1 3.8Å; K289-Y356 PolarHBondContact N-O 3.27Å; K289-E358 HydrophobicContact CD-CB 4.34Å; K289-E358 VanDerWaalsContact CE-OE1 3.28Å; K289-E358 WeakPolarHBondContact CE-OE1 3.39Å; K289-E358 WeakPolarHBondContact CE-OE2 3.47Å; K289-E358 HydrophobicContact CG-CB 3.96Å; K289-E358 IonicContact NZ-OE1 3.33Å; K289-E358 PolarHBondContact NZ-OE1 2.87Å; K289-E358 IonicContact NZ-OE2 2.84Å; K289-E358 PolarHBondContact NZ-OE2 3.33Å
290	A	95.8	Very high	92.7	Very high	12 Å²	12	56 Å²	56	10%	0.099	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	140.4	178.8	0	0	0	0	0	112.1	Y298 F299 L355 Y356	A290-Y298 HydrophobicContact CB-CD2 4.29Å; A290-F299 WeakPolarHBondContact CA-O 3.41Å; A290-L355 HydrophobicContact CB-CB 4.05Å; A290-L355 HydrophobicContact CB-CD2 4.02Å; A290-L355 HydrophobicContact CB-CG 4.42Å; A290-L355 VanDerWaalsContact O-CB 3.32Å; A290-L355 WeakPolarHBondContact O-CB 3.41Å; A290-L355 PolarHBondContact O-N 3.19Å; A290-Y356 PolarHBondContact N-O 2.72Å; A290-Y356 PolarHBondContact O-N 2.98Å
291	I	96.6	Very high	92.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.5	-178.6	-61.8	76.6	0	0	0	108.6	E266 Y298 F299 D304 L353	E266-I291 HydrophobicContact CG-CD1 4.44Å; E266-I291 WeakPolarHBondContact OE2-CD1 3.35Å; I291-Y298 CarbonylContact O-C 3.5Å; I291-Y298 WeakPolarHBondContact O-CA 3.1Å; I291-Y298 WeakPolarHBondContact O-CB 3.29Å; I291-F299 HydrophobicContact CB-CD1 4.44Å; I291-F299 HydrophobicContact CB-CD2 4.1Å; I291-F299 HydrophobicContact CB-CE1 3.98Å; I291-F299 HydrophobicContact CB-CE2 3.58Å; I291-F299 HydrophobicContact CB-CG 4.5Å; I291-F299 HydrophobicContact CB-CZ 3.52Å; I291-F299 HydrophobicContact CD1-CD2 4.04Å; I291-F299 HydrophobicContact CD1-CE2 3.63Å; I291-F299 HydrophobicContact CD1-CZ 4.39Å; I291-F299 HydrophobicContact CG1-CD2 4.4Å; I291-F299 HydrophobicContact CG1-CE2 3.67Å; I291-F299 HydrophobicContact CG1-CZ 3.93Å; I291-F299 HydrophobicContact CG2-CE1 3.79Å; I291-F299 HydrophobicContact CG2-CE2 4.07Å; I291-F299 HydrophobicContact CG2-CZ 3.47Å; I291-F299 VanDerWaalsContact CG2-CZ 3.47Å; I291-F299 PolarHBondContact N-O 2.78Å; I291-F299 PolarHBondContact O-N 3.29Å; I291-D304 HydrophobicContact CD1-CB 4.48Å; I291-L353 CarbonylContact C-O 3.58Å; I291-L353 VanDerWaalsContact CA-O 3.27Å; I291-L353 WeakPolarHBondContact CA-O 2.85Å; I291-L353 HydrophobicContact CG2-CB 4.1Å; I291-L353 HydrophobicContact CG2-CD2 4.38Å
292	K	94.9	Very high	92.4	Very high	92 Å²	92	54 Å²	54	40%	0.4	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	137.5	175	-174.9	170.5	-179	-179.7	0	110.7	L353 L355	K292-L353 PolarHBondContact N-O 2.76Å; K292-L353 VanDerWaalsContact O-CD2 3.3Å; K292-L353 WeakPolarHBondContact O-CD2 3.47Å; K292-L355 HydrophobicContact CB-CB 3.92Å; K292-L355 HydrophobicContact CB-CD1 4.29Å; K292-L355 HydrophobicContact CD-CD1 4.23Å; K292-L355 HydrophobicContact CG-CD1 4.48Å
293	L	88.1	Confident	92.3	Very high	22 Å²	22	52 Å²	52	12%	0.115	27%	0.267	C	S	.	.			trans	-112.6	-170.3	166.5	-61.4	178.2	0	0	0	109.9	L48 L64 S297 F299	L48-L293 HydrophobicContact CD1-CD1 4.2Å; L48-L293 HydrophobicContact CD2-CD1 4.06Å; L48-L293 HydrophobicContact CD2-CD2 3.53Å; L48-L293 HydrophobicContact CD2-CG 4.45Å; L64-L293 HydrophobicContact CD1-CD2 4.32Å; L293-S297 WeakPolarHBondContact CA-O 2.96Å; L293-S297 PolarHBondContact N-O 3.35Å; L293-F299 HydrophobicContact CD1-CD1 3.9Å; L293-F299 HydrophobicContact CD1-CE1 4Å; L293-F299 HydrophobicContact CD2-CE1 4Å; L293-F299 HydrophobicContact CG-CD1 4.19Å; L293-F299 HydrophobicContact CG-CE1 4.03Å
294	S	79.5	Confident	92.2	Very high	111 Å²	111	48.4 Å²	48.4	78%	0.776	25%	0.253	S	S	*	.	S	Bend	trans	-61.1	143.7	176.5	52	0	0	0	0	112.4	S297	S294-S297 WeakPolarHBondContact O-CB 2.89Å; S294-S297 PolarHBondContact O-N 3.1Å
295	G	76.7	Confident	92.1	Very high	57 Å²	57	47.4 Å²	47.4	59%	0.588	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.1	-131.6	-178.6	0	0	0	0	0	113.1
296	H	72.3	Confident	92.1	Very high	195 Å²	195	47.4 Å²	47.4	90%	0.903	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	9.5	178.6	-61	-70.9	0	0	0	113.5
297	S	86.9	Confident	92	Very high	36 Å²	36	46.3 Å²	46.3	25%	0.252	24%	0.244	S	C	.	.			trans	-76.8	136.2	177.6	-95.2	0	0	0	0	112.1	R51 L293 S294	R51-S297 VanDerWaalsContact CZ-OG 3.28Å; R51-S297 PolarHBondContact NH1-OG 3.23Å; R51-S297 PolarHBondContact NH2-OG 3.28Å; L293-S297 WeakPolarHBondContact CA-O 2.96Å; L293-S297 PolarHBondContact N-O 3.35Å; S294-S297 WeakPolarHBondContact O-CB 2.89Å; S294-S297 PolarHBondContact O-N 3.1Å
298	Y	93.1	Very high	92.1	Very high	141 Å²	141	46.3 Å²	46.3	55%	0.553	24%	0.244	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-149.2	172.1	168.1	69.3	-86.6	0	0	0	110.7	R51 A290 I291 L355	R51-Y298 PolarHBondContact NH2-O 3.39Å; A290-Y298 HydrophobicContact CB-CD2 4.29Å; I291-Y298 CarbonylContact O-C 3.5Å; I291-Y298 WeakPolarHBondContact O-CA 3.1Å; I291-Y298 WeakPolarHBondContact O-CB 3.29Å; Y298-L355 HydrophobicContact CD1-CD2 4Å; Y298-L355 HydrophobicContact CD2-CD2 3.89Å; Y298-L355 HydrophobicContact CG-CD2 3.55Å
299	F	93.6	Very high	92.2	Very high	8 Å²	8	46.3 Å²	46.3	4%	0.035	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	160.2	166.9	59.5	-95.3	0	0	0	110.4	Y46 L48 P49 A290 I291 L293 D304	Y46-F299 AromaticContact CE1-CZ 3.89Å; Y46-F299 HydrophobicContact CE1-CZ 3.89Å; L48-F299 HydrophobicContact CD2-CE1 4.34Å; P49-F299 HydrophobicContact CG-CB 3.99Å; P49-F299 HydrophobicContact CG-CD1 3.73Å; P49-F299 HydrophobicContact CG-CD2 3.82Å; P49-F299 HydrophobicContact CG-CE1 4.12Å; P49-F299 HydrophobicContact CG-CE2 4.22Å; P49-F299 HydrophobicContact CG-CG 3.56Å; P49-F299 HydrophobicContact CG-CZ 4.35Å; A290-F299 WeakPolarHBondContact CA-O 3.41Å; I291-F299 HydrophobicContact CB-CD1 4.44Å; I291-F299 HydrophobicContact CB-CD2 4.1Å; I291-F299 HydrophobicContact CB-CE1 3.98Å; I291-F299 HydrophobicContact CB-CE2 3.58Å; I291-F299 HydrophobicContact CB-CG 4.5Å; I291-F299 HydrophobicContact CB-CZ 3.52Å; I291-F299 HydrophobicContact CD1-CD2 4.04Å; I291-F299 HydrophobicContact CD1-CE2 3.63Å; I291-F299 HydrophobicContact CD1-CZ 4.39Å; I291-F299 HydrophobicContact CG1-CD2 4.4Å; I291-F299 HydrophobicContact CG1-CE2 3.67Å; I291-F299 HydrophobicContact CG1-CZ 3.93Å; I291-F299 HydrophobicContact CG2-CE1 3.79Å; I291-F299 HydrophobicContact CG2-CE2 4.07Å; I291-F299 HydrophobicContact CG2-CZ 3.47Å; I291-F299 VanDerWaalsContact CG2-CZ 3.47Å; I291-F299 PolarHBondContact N-O 2.78Å; I291-F299 PolarHBondContact O-N 3.29Å; L293-F299 HydrophobicContact CD1-CD1 3.9Å; L293-F299 HydrophobicContact CD1-CE1 4Å; L293-F299 HydrophobicContact CD2-CE1 4Å; L293-F299 HydrophobicContact CG-CD1 4.19Å; L293-F299 HydrophobicContact CG-CE1 4.03Å; F299-D304 HydrophobicContact CE2-CB 3.93Å; F299-D304 WeakPolarHBondContact CE2-OD2 3.48Å
300	S	94.9	Very high	92.3	Very high	48 Å²	48	44.6 Å²	44.6	34%	0.336	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	147.5	-179.7	177.4	0	0	0	0	111.3	Y302 Q303	S300-Y302 PolarHBondContact O-N 3.13Å; S300-Y302 PolarHBondContact OG-N 2.65Å; S300-Q303 WeakPolarHBondContact O-CA 3.43Å; S300-Q303 WeakPolarHBondContact O-CB 3.36Å; S300-Q303 PolarHBondContact O-N 2.88Å
301	S	94.8	Very high	92.4	Very high	1 Å²	1	44 Å²	44	1%	0.007	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-52.9	-24.7	168	174.8	0	0	0	0	112.9	E266 T267 I288 K289 Q303 D304	E266-S301 VanDerWaalsContact OE1-CB 3.27Å; E266-S301 WeakPolarHBondContact OE1-CB 3.21Å; E266-S301 PolarHBondContact OE1-OG 3.49Å; E266-S301 WeakPolarHBondContact OE2-CB 3.11Å; E266-S301 PolarHBondContact OE2-OG 3.09Å; T267-S301 PolarHBondContact O-OG 3.29Å; I288-S301 WeakPolarHBondContact O-CB 3.47Å; K289-S301 PolarHBondContact O-N 2.76Å; S301-Q303 PolarHBondContact O-N 2.94Å; S301-D304 PolarHBondContact O-N 3.01Å
302	Y	93.9	Very high	92.3	Very high	121 Å²	121	46.2 Å²	46.2	48%	0.475	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-59.4	-29	171.9	-176.6	-96.8	0	0	0	113.5	W268 Q269 S300	W268-Y302 PolarHBondContact NE1-O 2.93Å; Q269-Y302 WeakPolarHBondContact O-CD2 3.25Å; S300-Y302 PolarHBondContact O-N 3.13Å; S300-Y302 PolarHBondContact OG-N 2.65Å
303	Q	94.3	Very high	92.1	Very high	56 Å²	56	49.5 Å²	49.5	26%	0.262	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-98.3	17.3	179.2	-58.7	175.7	-77.9	0	0	111.8	P49 N165 G166 S300 S301	P49-Q303 HydrophobicContact CB-CB 4.4Å; N165-Q303 CarbonylContact C-O 3.47Å; N165-Q303 WeakPolarHBondContact CA-O 3.03Å; N165-Q303 WeakPolarHBondContact CB-O 3.48Å; G166-Q303 PolarHBondContact N-O 2.99Å; S300-Q303 WeakPolarHBondContact O-CA 3.43Å; S300-Q303 WeakPolarHBondContact O-CB 3.36Å; S300-Q303 PolarHBondContact O-N 2.88Å; S301-Q303 PolarHBondContact O-N 2.94Å
304	D	95.8	Very high	91.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.288	C	S	.	.	B	Isolated β-bridge	trans	-126.2	128.9	-176.1	-153.4	-17.5	0	0	0	112.3	Y46 G166 W268 I291 F299 S301 A306	Y46-D304 WeakPolarHBondContact CE1-OD2 3.2Å; Y46-D304 VanDerWaalsContact CZ-OD2 3.31Å; Y46-D304 PolarHBondContact OH-OD2 3.31Å; G166-D304 WeakPolarHBondContact CA-OD1 3.39Å; W268-D304 VanDerWaalsContact CA-O 3.22Å; W268-D304 WeakPolarHBondContact CA-O 3.18Å; W268-D304 WeakPolarHBondContact CB-O 3.45Å; I291-D304 HydrophobicContact CD1-CB 4.48Å; F299-D304 HydrophobicContact CE2-CB 3.93Å; F299-D304 WeakPolarHBondContact CE2-OD2 3.48Å; S301-D304 PolarHBondContact O-N 3.01Å; D304-A306 WeakPolarHBondContact OD1-CA 3.35Å; D304-A306 WeakPolarHBondContact OD1-CB 3.16Å; D304-A306 PolarHBondContact OD1-N 2.83Å
305	H	96.1	Very high	92.2	Very high	28 Å²	28	48.2 Å²	48.2	13%	0.13	26%	0.26	C	S	.	.			trans	-102	-6.1	171	-76.2	-167	0	0	0	112.2	S144 N165 G166 Q167 W268 K307	S144-H305 WeakPolarHBondContact CB-O 3.28Å; S144-H305 PolarHBondContact OG-O 3.26Å; N165-H305 HydrophobicContact CB-CB 4.37Å; N165-H305 PolarHBondContact ND2-CD2 2.89Å; N165-H305 VanDerWaalsContact ND2-CD2 3.31Å; N165-H305 PolarHBondContact ND2-CE1 3.21Å; N165-H305 PolarHBondContact ND2-NE2 2.76Å; G166-H305 WeakPolarHBondContact O-CA 3.27Å; G166-H305 WeakPolarHBondContact O-CB 3.44Å; G166-H305 PolarHBondContact O-N 2.86Å; Q167-H305 HydrophobicContact CG-CB 4.13Å; W268-H305 AromaticContact CD1-CD2 3.93Å; W268-H305 AromaticContact CD2-CD2 3.46Å; W268-H305 VanDerWaalsContact CD2-CD2 3.46Å; W268-H305 AromaticContact CD2-NE2 3.46Å; W268-H305 AromaticContact CE2-CD2 3.66Å; W268-H305 AromaticContact CE2-NE2 3.36Å; W268-H305 AromaticContact CE3-CD2 3.84Å; W268-H305 AromaticContact CE3-NE2 3.57Å; W268-H305 AromaticContact CG-CD2 3.68Å; W268-H305 AromaticContact CH2-NE2 3.5Å; W268-H305 AromaticContact CZ2-NE2 3.4Å; W268-H305 WeakPolarHBondContact CZ2-NE2 3.32Å; W268-H305 AromaticContact CZ3-NE2 3.59Å; W268-H305 AromaticContact NE1-CD2 3.94Å; W268-H305 AromaticContact NE1-NE2 4Å; H305-K307 PolarHBondContact O-NZ 3.29Å
306	A	97.1	Very high	92.5	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.274	C	S	.	.			trans	-54.6	146.4	169.7	0	0	0	0	0	110.2	Y46 G166 S168 D304	Y46-A306 HydrophobicContact CE1-CB 4.11Å; Y46-A306 HydrophobicContact CE2-CB 4.27Å; G166-A306 PolarHBondContact O-N 2.76Å; S168-A306 WeakPolarHBondContact OG-CB 3.2Å; D304-A306 WeakPolarHBondContact OD1-CA 3.35Å; D304-A306 WeakPolarHBondContact OD1-CB 3.16Å; D304-A306 PolarHBondContact OD1-N 2.83Å
307	K	97.8	Very high	93.1	Very high	6 Å²	6	49 Å²	49	3%	0.026	25%	0.247	C	C	.	.			trans	-137.9	105.1	-177.5	-63.8	166.8	-171.9	63.7	0	107.6	H126 E266 T267 H305 G323 D324 N326 F338	H126-K307 VanDerWaalsContact NE2-CE 3.29Å; H126-K307 WeakPolarHBondContact NE2-CE 3.27Å; E266-K307 WeakPolarHBondContact O-CA 3.33Å; T267-K307 HydrophobicContact CG2-CB 4.48Å; T267-K307 HydrophobicContact CG2-CG 4.38Å; H305-K307 PolarHBondContact O-NZ 3.29Å; K307-G323 WeakPolarHBondContact CB-O 3.31Å; K307-G323 PolarHBondContact O-N 2.81Å; K307-D324 WeakPolarHBondContact CD-O 3.32Å; K307-D324 WeakPolarHBondContact CE-O 3.11Å; K307-N326 WeakPolarHBondContact CE-OD1 3.15Å; K307-F338 HydrophobicContact CB-CE1 4.22Å; K307-F338 HydrophobicContact CB-CZ 4.48Å
308	W	98.6	Very high	93.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	158.9	-177.1	59.1	-87.3	0	0	0	110.3	Y46 E266 I288 I310 C321 I322 F350 L353 V354	Y46-W308 HydrophobicContact CE2-CZ2 4.44Å; Y46-W308 AromaticContact CE2-NE1 3.38Å; Y46-W308 AromaticContact CZ-NE1 3.71Å; Y46-W308 PolarHBondContact OH-NE1 3.13Å; Y46-W308 VanDerWaalsContact OH-NE1 3.09Å; E266-W308 HydrophobicContact CB-CD2 3.88Å; E266-W308 VanDerWaalsContact CB-CE2 3.45Å; E266-W308 HydrophobicContact CB-CG 4.16Å; E266-W308 HydrophobicContact CB-CZ2 3.89Å; E266-W308 HydrophobicContact CG-CZ2 4.32Å; E266-W308 VanDerWaalsContact CG-NE1 3.34Å; E266-W308 PolarHBondContact N-O 3.34Å; E266-W308 PolarHBondContact O-N 3.39Å; I288-W308 HydrophobicContact CD1-CE3 4.5Å; I288-W308 HydrophobicContact CD1-CH2 3.66Å; I288-W308 HydrophobicContact CD1-CZ2 4.19Å; I288-W308 HydrophobicContact CD1-CZ3 3.82Å; W308-I310 HydrophobicContact CE3-CG2 3.93Å; W308-I310 HydrophobicContact CZ3-CB 4.44Å; W308-I310 HydrophobicContact CZ3-CD1 4.19Å; W308-I310 HydrophobicContact CZ3-CG1 4.05Å; W308-I310 HydrophobicContact CZ3-CG2 3.75Å; W308-C321 CarbonylContact C-O 3.48Å; W308-C321 WeakPolarHBondContact CA-O 3.06Å; W308-C321 WeakPolarHBondContact CB-O 3.16Å; W308-I322 HydrophobicContact CB-CG1 4.22Å; W308-F350 HydrophobicContact CB-CD1 4.36Å; W308-F350 HydrophobicContact CB-CE1 4.03Å; W308-F350 AromaticContact CD1-CE1 3.98Å; W308-F350 AromaticContact CD2-CD1 3.39Å; W308-F350 HydrophobicContact CD2-CD1 3.39Å; W308-F350 AromaticContact CD2-CE1 3.75Å; W308-F350 HydrophobicContact CD2-CE1 3.75Å; W308-F350 AromaticContact CE2-CD1 3.76Å; W308-F350 HydrophobicContact CE3-CB 4.19Å; W308-F350 AromaticContact CE3-CD1 3.44Å; W308-F350 HydrophobicContact CE3-CD1 3.44Å; W308-F350 VanDerWaalsContact CE3-CD1 3.44Å; W308-F350 HydrophobicContact CE3-CE1 4.22Å; W308-F350 HydrophobicContact CE3-CG 4.22Å; W308-F350 AromaticContact CG-CD1 3.83Å; W308-F350 HydrophobicContact CG-CD1 3.83Å; W308-F350 AromaticContact CG-CE1 3.65Å; W308-F350 HydrophobicContact CG-CE1 3.65Å; W308-F350 HydrophobicContact CH2-CB 4.43Å; W308-F350 HydrophobicContact CH2-CD1 4.14Å; W308-F350 WeakPolarHBondContact CH2-O 3.28Å; W308-F350 HydrophobicContact CZ2-CD1 4.13Å; W308-F350 HydrophobicContact CZ3-CB 3.93Å; W308-F350 AromaticContact CZ3-CD1 3.82Å; W308-F350 HydrophobicContact CZ3-CD1 3.82Å; W308-F350 HydrophobicContact CZ3-CG 4.37Å; W308-L353 HydrophobicContact CH2-CB 4.22Å; W308-L353 HydrophobicContact CZ2-CB 4.22Å; W308-L353 HydrophobicContact CZ2-CD1 4.48Å; W308-V354 HydrophobicContact CH2-CG2 3.85Å; W308-V354 HydrophobicContact CZ3-CG2 4.3Å
309	C	98.6	Very high	93.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	156.4	168.4	66.8	0	0	0	0	110.7	F251 L263 L264 T265 T320 C321	F251-C309 HydrophobicContact CD1-CB 4.37Å; F251-C309 HydrophobicContact CE1-CB 4.16Å; L263-C309 HydrophobicContact CB-CB 4.48Å; L264-C309 CarbonylContact O-C 3.53Å; L264-C309 WeakPolarHBondContact O-CA 3.16Å; L264-C309 VanDerWaalsContact O-CB 3.26Å; L264-C309 WeakPolarHBondContact O-CB 3.46Å; T265-C309 HydrophobicContact CG2-CB 4.31Å; T265-C309 WeakPolarHBondContact OG1-CB 3.41Å; C309-T320 CarbonylContact O-C 3.55Å; C309-T320 WeakPolarHBondContact O-CA 3.47Å; C309-C321 PolarHBondContact N-O 3.2Å; C309-C321 PolarHBondContact O-N 2.99Å; C309-C321 VanDerWaalsContact SG-CB 3.59Å
310	I	98.6	Very high	94	Very high	2 Å²	2	44 Å²	44	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155.3	173.6	59.6	173.7	0	0	0	110.8	L263 L264 W308 W319 T320 Y347 F350 Q351 V354	L263-I310 CarbonylContact C-O 3.51Å; L263-I310 WeakPolarHBondContact CA-O 3.34Å; L264-I310 HydrophobicContact CB-CG1 4.01Å; L264-I310 HydrophobicContact CD1-CD1 4.39Å; L264-I310 HydrophobicContact CD1-CG1 4.39Å; L264-I310 HydrophobicContact CG-CG1 4.48Å; L264-I310 PolarHBondContact N-O 3.16Å; L264-I310 PolarHBondContact O-N 2.88Å; W308-I310 HydrophobicContact CE3-CG2 3.93Å; W308-I310 HydrophobicContact CZ3-CB 4.44Å; W308-I310 HydrophobicContact CZ3-CD1 4.19Å; W308-I310 HydrophobicContact CZ3-CG1 4.05Å; W308-I310 HydrophobicContact CZ3-CG2 3.75Å; I310-W319 CarbonylContact C-O 3.59Å; I310-W319 WeakPolarHBondContact CA-O 3.08Å; I310-T320 HydrophobicContact CG2-CG2 4.01Å; I310-Y347 HydrophobicContact CB-CD2 4.42Å; I310-Y347 HydrophobicContact CB-CE2 4.27Å; I310-F350 HydrophobicContact CG2-CB 3.62Å; I310-Q351 VanDerWaalsContact CD1-CA 3.49Å; I310-Q351 HydrophobicContact CD1-CB 3.95Å; I310-Q351 HydrophobicContact CD1-CG 4.33Å; I310-V354 HydrophobicContact CD1-CG2 3.69Å; I310-V354 HydrophobicContact CG1-CG2 4.5Å
311	S	98.2	Very high	94.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	146.8	166.1	61.7	0	0	0	0	111.5	T261 H262 T315 N317 H318 W319 Y347	T261-S311 WeakPolarHBondContact OG1-CB 3.34Å; H262-S311 WeakPolarHBondContact O-CA 3.22Å; S311-T315 WeakPolarHBondContact CB-OG1 3.02Å; S311-T315 PolarHBondContact OG-OG1 3Å; S311-N317 VanDerWaalsContact CB-O 3.27Å; S311-N317 WeakPolarHBondContact CB-O 3.35Å; S311-N317 PolarHBondContact OG-O 3.17Å; S311-H318 WeakPolarHBondContact OG-CA 3.39Å; S311-W319 PolarHBondContact N-O 3.35Å; S311-W319 PolarHBondContact OG-N 2.71Å; S311-Y347 WeakPolarHBondContact O-CE2 3.24Å; S311-Y347 PolarHBondContact O-OH 2.88Å; S311-Y347 WeakPolarHBondContact OG-CE2 3.21Å
312	Q	94.9	Very high	94.4	Very high	46 Å²	46	41.8 Å²	41.8	22%	0.215	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-61.1	148.7	178.4	-165.1	173.5	8	0	0	111.5	H262 G314 T315 Y357	H262-Q312 HydrophobicContact CB-CB 4.11Å; H262-Q312 PolarHBondContact O-N 3.29Å; H262-Q312 VanDerWaalsContact O-N 3.09Å; Q312-G314 PolarHBondContact O-N 3.34Å; Q312-T315 HydrophobicContact CB-CG2 4.3Å; Q312-T315 WeakPolarHBondContact O-CB 3.29Å; Q312-T315 WeakPolarHBondContact O-CG2 3.09Å; Q312-T315 PolarHBondContact O-N 2.02Å; Q312-T315 PolarHBondContact O-OG1 3.27Å; Q312-Y357 PolarHBondContact NE2-OH 2.99Å
313	K	89.4	Confident	94.5	Very high	162 Å²	162	36.1 Å²	36.1	70%	0.704	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	137	179.7	-167.4	-176.8	-176	-177.2	0	110.9	T315 Y347	K313-T315 VanDerWaalsContact C-N 3.35Å; K313-Y347 WeakPolarHBondContact CA-OH 3.48Å
314	G	84.8	Confident	94.6	Very high	76 Å²	76	33.7 Å²	33.7	78%	0.784	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.5	0.4	178.2	0	0	0	0	0	114.8	Q312	Q312-G314 PolarHBondContact O-N 3.34Å
315	T	85.2	Confident	94.5	Very high	30 Å²	30	33.9 Å²	33.9	18%	0.184	18%	0.177	C	C	.	.			trans	-75.9	145.9	171.9	58.3	0	0	0	0	110.9	S311 Q312 K313 N317 H318	S311-T315 WeakPolarHBondContact CB-OG1 3.02Å; S311-T315 PolarHBondContact OG-OG1 3Å; Q312-T315 HydrophobicContact CB-CG2 4.3Å; Q312-T315 WeakPolarHBondContact O-CB 3.29Å; Q312-T315 WeakPolarHBondContact O-CG2 3.09Å; Q312-T315 PolarHBondContact O-N 2.02Å; Q312-T315 PolarHBondContact O-OG1 3.27Å; K313-T315 VanDerWaalsContact C-N 3.35Å; T315-N317 PolarHBondContact O-N 3.27Å; T315-H318 PolarHBondContact O-CD2 2.76Å; T315-H318 PolarHBondContact O-NE2 2.81Å
316	K	83.2	Confident	94.4	Very high	202 Å²	202	33.4 Å²	33.4	88%	0.878	18%	0.175	S	C	*	.	S	Bend	trans	-64.5	-30.2	179.8	-68.7	-175.2	178.5	-178.4	0	112.9
317	N	84.9	Confident	94.3	Very high	65 Å²	65	33.7 Å²	33.7	35%	0.348	18%	0.177	S	C	.	.	S	Bend	trans	-104.6	97	-176.3	-63	-31.2	0	0	0	109.6	S311 T315 W319	S311-N317 VanDerWaalsContact CB-O 3.27Å; S311-N317 WeakPolarHBondContact CB-O 3.35Å; S311-N317 PolarHBondContact OG-O 3.17Å; T315-N317 PolarHBondContact O-N 3.27Å; N317-W319 PolarHBondContact O-N 2.73Å
318	H	95.6	Very high	93.9	Very high	55 Å²	55	34.2 Å²	34.2	26%	0.255	18%	0.181	S	C	.	.			trans	-75.1	82.7	179.9	-61.3	125.4	0	0	0	111.6	S311 T315 Q342 W344 Y347	S311-H318 WeakPolarHBondContact OG-CA 3.39Å; T315-H318 PolarHBondContact O-CD2 2.76Å; T315-H318 PolarHBondContact O-NE2 2.81Å; H318-Q342 VanDerWaalsContact O-CA 3.26Å; H318-Q342 WeakPolarHBondContact O-CA 3.43Å; H318-W344 HydrophobicContact CB-CE3 4.22Å; H318-W344 HydrophobicContact CB-CZ3 4.47Å; H318-W344 AromaticContact CD2-CZ3 3.7Å; H318-W344 AromaticContact CE1-CE3 3.83Å; H318-W344 AromaticContact CE1-CZ3 3.3Å; H318-W344 WeakPolarHBondContact CE1-CZ3 3.49Å; H318-W344 AromaticContact CG-CE3 3.74Å; H318-W344 AromaticContact CG-CZ3 3.62Å; H318-W344 AromaticContact ND1-CE3 3.43Å; H318-W344 AromaticContact ND1-CZ3 3.37Å; H318-W344 WeakPolarHBondContact ND1-CZ3 3.36Å; H318-W344 AromaticContact NE2-CZ3 3.49Å; H318-W344 WeakPolarHBondContact NE2-CZ3 3.5Å; H318-Y347 HydrophobicContact CB-CD1 3.74Å; H318-Y347 HydrophobicContact CB-CD2 3.89Å; H318-Y347 HydrophobicContact CB-CE1 4.16Å; H318-Y347 HydrophobicContact CB-CE2 4.28Å; H318-Y347 HydrophobicContact CB-CG 3.6Å; H318-Y347 AromaticContact CD2-CD1 3.8Å; H318-Y347 AromaticContact CD2-CE1 3.37Å; H318-Y347 WeakPolarHBondContact CD2-CE1 3.46Å; H318-Y347 AromaticContact CD2-CZ 3.65Å; H318-Y347 AromaticContact CG-CD1 3.88Å; H318-Y347 AromaticContact CG-CE1 3.94Å
319	W	98.4	Very high	93.4	Very high	23 Å²	23	37.1 Å²	37.1	9%	0.087	20%	0.2	C	C	.	.			trans	-91.1	139.6	-178.4	-71.2	106.2	0	0	0	111.5	L238 L259 I310 S311 N317 C340 T341 Q342 Y347	L238-W319 HydrophobicContact CD1-CH2 3.47Å; L238-W319 VanDerWaalsContact CD1-CH2 3.47Å; L238-W319 HydrophobicContact CD1-CZ2 4.2Å; L238-W319 HydrophobicContact CD1-CZ3 3.9Å; L238-W319 HydrophobicContact CG-CH2 4.06Å; L238-W319 HydrophobicContact CG-CZ3 4.21Å; L259-W319 HydrophobicContact CD1-CB 4.33Å; L259-W319 HydrophobicContact CD1-CD2 4.21Å; L259-W319 HydrophobicContact CD1-CG 4.02Å; L259-W319 HydrophobicContact CD2-CD2 3.92Å; L259-W319 HydrophobicContact CD2-CE3 4.25Å; L259-W319 HydrophobicContact CD2-CG 4.47Å; L259-W319 HydrophobicContact CD2-CH2 4.2Å; L259-W319 HydrophobicContact CD2-CZ2 3.85Å; L259-W319 HydrophobicContact CD2-CZ3 4.37Å; I310-W319 CarbonylContact C-O 3.59Å; I310-W319 WeakPolarHBondContact CA-O 3.08Å; S311-W319 PolarHBondContact N-O 3.35Å; S311-W319 PolarHBondContact OG-N 2.71Å; N317-W319 PolarHBondContact O-N 2.73Å; W319-C340 HydrophobicContact CE3-CB 4.03Å; W319-C340 HydrophobicContact CZ3-CB 4.23Å; W319-T341 WeakPolarHBondContact CA-O 3.29Å; W319-Q342 HydrophobicContact CD2-CG 3.68Å; W319-Q342 HydrophobicContact CE3-CG 3.54Å; W319-Q342 HydrophobicContact CH2-CG 3.41Å; W319-Q342 VanDerWaalsContact CH2-CG 3.41Å; W319-Q342 VanDerWaalsContact CZ2-CD 3.41Å; W319-Q342 HydrophobicContact CZ2-CG 3.54Å; W319-Q342 HydrophobicContact CZ3-CG 3.42Å; W319-Q342 VanDerWaalsContact CZ3-CG 3.42Å; W319-Y347 WeakPolarHBondContact O-CD2 3.42Å
320	T	98.8	Very high	92.8	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.6	158.5	-56.5	0	0	0	0	108.9	C309 I310 I322 C340 T341 I346 Y347 F350	C309-T320 CarbonylContact O-C 3.55Å; C309-T320 WeakPolarHBondContact O-CA 3.47Å; I310-T320 HydrophobicContact CG2-CG2 4.01Å; T320-I322 HydrophobicContact CG2-CG1 4.36Å; T320-C340 CarbonylContact O-C 3.58Å; T320-C340 WeakPolarHBondContact O-CA 3.16Å; T320-T341 PolarHBondContact N-O 3.01Å; T320-T341 PolarHBondContact O-N 3.22Å; T320-I346 HydrophobicContact CG2-CG2 3.73Å; T320-Y347 WeakPolarHBondContact OG1-CA 3.48Å; T320-Y347 PolarHBondContact OG1-N 2.66Å; T320-F350 HydrophobicContact CG2-CB 4.18Å; T320-F350 HydrophobicContact CG2-CD1 4.41Å; T320-F350 HydrophobicContact CG2-CD2 3.74Å; T320-F350 HydrophobicContact CG2-CE2 4.17Å; T320-F350 HydrophobicContact CG2-CG 3.85Å
321	C	98.9	Very high	92.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	138.6	174.7	-55.3	0	0	0	0	110.6	M255 W308 C309 F338 I339 C340	M255-C321 HydrophobicContact CE-CB 3.73Å; M255-C321 VanDerWaalsContact CE-SG 3.58Å; W308-C321 CarbonylContact C-O 3.48Å; W308-C321 WeakPolarHBondContact CA-O 3.06Å; W308-C321 WeakPolarHBondContact CB-O 3.16Å; C309-C321 PolarHBondContact N-O 3.2Å; C309-C321 PolarHBondContact O-N 2.99Å; C309-C321 VanDerWaalsContact SG-CB 3.59Å; C321-F338 HydrophobicContact CB-CB 4.26Å; C321-F338 HydrophobicContact CB-CD1 4.41Å; C321-I339 CarbonylContact C-O 3.58Å; C321-I339 WeakPolarHBondContact CA-O 3.27Å; C321-C340 HydrophobicContact CB-CB 4.05Å; C321-C340 WeakPolarHBondContact CB-SG 3.22Å; C321-C340 WeakPolarHBondContact SG-CB 3.38Å; C321-C340 CovalentContact SG-SG 2.03Å; C321-C340 PolarHBondContact SG-SG 2.85Å
322	I	98.8	Very high	91.5	Very high	4 Å²	4	45.6 Å²	45.6	2%	0.021	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	137.5	179	-57	168.7	0	0	0	107.8	I170 W308 T320 F338 I339 F350	I170-I322 HydrophobicContact CB-CD1 4.06Å; I170-I322 HydrophobicContact CD1-CD1 4.4Å; I170-I322 HydrophobicContact CG2-CB 4.26Å; I170-I322 HydrophobicContact CG2-CD1 4.43Å; I170-I322 HydrophobicContact CG2-CG2 4.3Å; W308-I322 HydrophobicContact CB-CG1 4.22Å; T320-I322 HydrophobicContact CG2-CG1 4.36Å; I322-F338 WeakPolarHBondContact O-CA 3.22Å; I322-I339 PolarHBondContact N-O 3.21Å; I322-I339 PolarHBondContact O-N 2.6Å; I322-F350 HydrophobicContact CD1-CE1 4.49Å; I322-F350 HydrophobicContact CD1-CE2 3.87Å; I322-F350 HydrophobicContact CD1-CZ 3.57Å; I322-F350 HydrophobicContact CG1-CZ 4.03Å
323	G	97	Very high	91.2	Very high	2 Å²	2	49.7 Å²	49.7	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	-144.2	-174.7	0	0	0	0	0	116.7	K307 G337	K307-G323 WeakPolarHBondContact CB-O 3.31Å; K307-G323 PolarHBondContact O-N 2.81Å; G323-G337 VanDerWaalsContact CA-O 3.3Å; G323-G337 WeakPolarHBondContact CA-O 3.2Å
324	D	95.3	Very high	91.4	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.027	23%	0.23	C	C	.	.	S	Bend	trans	-108.2	-36.3	-152.1	-70.3	-31.2	0	0	0	115	H126 T127 K307 G337	H126-D324 PolarHBondContact CD2-O 2.84Å; H126-D324 WeakPolarHBondContact O-CB 3Å; H126-D324 VanDerWaalsContact O-O 3.1Å; T127-D324 WeakPolarHBondContact CA-OD1 3.26Å; T127-D324 WeakPolarHBondContact CB-OD2 3.42Å; T127-D324 PolarHBondContact OG1-OD1 2.82Å; T127-D324 PolarHBondContact OG1-OD2 3.42Å; K307-D324 WeakPolarHBondContact CD-O 3.32Å; K307-D324 WeakPolarHBondContact CE-O 3.11Å; D324-G337 WeakPolarHBondContact CB-O 3.39Å; D324-G337 PolarHBondContact N-O 2.89Å; D324-G337 PolarHBondContact OD2-N 3.37Å
325	L	95.3	Very high	92	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.016	19%	0.193	C	C	.	.			trans	-98.3	137.4	-163.9	-66.2	162.1	0	0	0	113.4	H126 K242 I250 T267 Q331 R334 F338	H126-L325 HydrophobicContact CB-CD2 3.88Å; K242-L325 HydrophobicContact CD-CD1 3.72Å; K242-L325 HydrophobicContact CG-CD1 3.92Å; I250-L325 HydrophobicContact CD1-CD1 4.42Å; I250-L325 HydrophobicContact CG2-CD1 4.08Å; T267-L325 WeakPolarHBondContact CG2-O 2.97Å; L325-Q331 HydrophobicContact CD2-CB 4.43Å; L325-R334 HydrophobicContact CD2-CB 4.2Å; L325-F338 HydrophobicContact CB-CE2 3.95Å; L325-F338 HydrophobicContact CB-CZ 4.23Å; L325-F338 HydrophobicContact CD1-CE2 4.48Å; L325-F338 WeakPolarHBondContact O-CZ 3.48Å
326	N	94	Very high	92.6	Very high	18 Å²	18	38.1 Å²	38.1	10%	0.096	19%	0.185	C	C	.	.			trans	-78.5	155	163.4	-60.4	-51.8	0	0	0	110.2	W268 K307 S328 Q331	W268-N326 WeakPolarHBondContact CB-OD1 3.38Å; W268-N326 PolarHBondContact N-OD1 3.44Å; W268-N326 VanDerWaalsContact N-OD1 3.11Å; K307-N326 WeakPolarHBondContact CE-OD1 3.15Å; N326-S328 PolarHBondContact O-N 3.14Å; N326-S328 VanDerWaalsContact O-N 3.14Å; N326-Q331 HydrophobicContact CB-CG 4.1Å; N326-Q331 WeakPolarHBondContact O-CB 3.04Å
327	R	93.4	Very high	93.3	Very high	7 Å²	7	28.5 Å²	28.5	3%	0.026	14%	0.143	C	C	.	.	S	Bend	trans	-87.9	76.3	175.2	-156.8	179.3	176.3	-124.9	-12.9	110.6	D249 F251 T267 L275 P276 N287	D249-R327 IonicContact OD1-NE 2.95Å; D249-R327 IonicContact OD2-CZ 3.32Å; D249-R327 VanDerWaalsContact OD2-CZ 3.23Å; D249-R327 IonicContact OD2-NE 3.76Å; D249-R327 PolarHBondContact OD2-NE 2.89Å; D249-R327 IonicContact OD2-NH2 2.79Å; D249-R327 PolarHBondContact OD2-NH2 2.83Å; F251-R327 HydrophobicContact CD2-CB 4.31Å; F251-R327 HydrophobicContact CD2-CG 4Å; F251-R327 HydrophobicContact CE2-CB 4.23Å; F251-R327 HydrophobicContact CE2-CG 4.42Å; T267-R327 HydrophobicContact CG2-CB 4.25Å; T267-R327 WeakPolarHBondContact OG1-CB 3.46Å; T267-R327 PolarHBondContact OG1-N 2.78Å; T267-R327 VanDerWaalsContact OG1-N 3.09Å; L275-R327 HydrophobicContact CB-CG 4.26Å; L275-R327 HydrophobicContact CD1-CG 4.17Å; L275-R327 PolarHBondContact N-O 2.96Å; P276-R327 VanDerWaalsContact O-CZ 3.32Å; P276-R327 PolarHBondContact O-NH1 3.49Å; P276-R327 PolarHBondContact O-NH2 2.86Å; N287-R327 PolarHBondContact OD1-NH1 3.29Å
328	S	90.8	Very high	93.9	Very high	16 Å²	16	25.4 Å²	25.4	11%	0.112	13%	0.126	C	C	.	.	S	Bend	trans	-140	153	-179.4	60.9	0	0	0	0	113.2	Q273 N326 H330 Q331 A332	Q273-S328 WeakPolarHBondContact O-CA 3.47Å; Q273-S328 WeakPolarHBondContact O-CB 3.34Å; N326-S328 PolarHBondContact O-N 3.14Å; N326-S328 VanDerWaalsContact O-N 3.14Å; S328-H330 PolarHBondContact O-N 3.06Å; S328-Q331 PolarHBondContact O-N 2.87Å; S328-Q331 WeakPolarHBondContact OG-CG 3.45Å; S328-A332 PolarHBondContact O-N 2.69Å
329	P	88.3	Confident	94.1	Very high	61 Å²	61	23 Å²	23	40%	0.396	12%	0.115	S	C	.	.	H	α-helix	trans	-55.6	-36.2	177	-24.7	33.7	0	0	0	113	Q273 L275 Q331 A332	Q273-P329 VanDerWaalsContact O-CD 3.26Å; Q273-P329 WeakPolarHBondContact O-CD 3.4Å; L275-P329 HydrophobicContact CD2-CG 3.8Å; L275-P329 HydrophobicContact CG-CG 4.37Å; P329-Q331 VanDerWaalsContact C-N 3.31Å; P329-Q331 PolarHBondContact O-N 3.09Å; P329-A332 VanDerWaalsContact O-CB 3.24Å; P329-A332 WeakPolarHBondContact O-CB 3.44Å; P329-A332 PolarHBondContact O-N 3.11Å
330	H	85.7	Confident	94.1	Very high	133 Å²	133	21.9 Å²	21.9	62%	0.616	11%	0.111	S	C	*	.	H	α-helix	trans	-72.9	-19.4	179.9	-62	-61.9	0	0	0	114.2	S328	S328-H330 PolarHBondContact O-N 3.06Å
331	Q	85.3	Confident	94.1	Very high	29 Å²	29	22 Å²	22	14%	0.136	11%	0.112	C	C	.	.	H	α-helix	trans	-94.7	-6.9	175.6	-62.2	-59.6	-76.3	0	0	112.4	H126 L325 N326 S328 P329 F333 R334	H126-Q331 VanDerWaalsContact CB-OE1 3.3Å; H126-Q331 PolarHBondContact CD2-OE1 3.28Å; L325-Q331 HydrophobicContact CD2-CB 4.43Å; N326-Q331 HydrophobicContact CB-CG 4.1Å; N326-Q331 WeakPolarHBondContact O-CB 3.04Å; S328-Q331 PolarHBondContact O-N 2.87Å; S328-Q331 WeakPolarHBondContact OG-CG 3.45Å; P329-Q331 VanDerWaalsContact C-N 3.31Å; P329-Q331 PolarHBondContact O-N 3.09Å; Q331-F333 PolarHBondContact O-N 2.93Å; Q331-R334 PolarHBondContact O-N 2.7Å; Q331-R334 VanDerWaalsContact OE1-NH1 3.1Å
332	A	82.8	Confident	94	Very high	18 Å²	18	26.7 Å²	26.7	15%	0.149	13%	0.134	C	C	.	.	H	α-helix	trans	-57.1	-38.9	173.7	0	0	0	0	0	112	K242 L247 S328 P329 R334	K242-A332 PolarHBondContact NZ-O 3.38Å; L247-A332 WeakPolarHBondContact O-CB 3.36Å; S328-A332 PolarHBondContact O-N 2.69Å; P329-A332 VanDerWaalsContact O-CB 3.24Å; P329-A332 WeakPolarHBondContact O-CB 3.44Å; P329-A332 PolarHBondContact O-N 3.11Å; A332-R334 PolarHBondContact O-N 2.79Å
333	F	89.4	Confident	94	Very high	133 Å²	133	27.8 Å²	27.8	58%	0.583	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	21	179.5	-54.4	-82.2	0	0	0	114	D244 L247 Q331	D244-F333 WeakPolarHBondContact CB-O 3.45Å; L247-F333 HydrophobicContact CD1-CE1 4.37Å; L247-F333 HydrophobicContact CD2-CD1 3.53Å; L247-F333 HydrophobicContact CD2-CE1 3.79Å; Q331-F333 PolarHBondContact O-N 2.93Å
334	R	93.8	Very high	93.9	Very high	23 Å²	23	33 Å²	33	9%	0.087	16%	0.159	C	C	.	.	S	Bend	trans	-123.8	139.1	-178.7	-63.6	-167.6	69.9	-165.9	6.8	111.5	D112 S121 Y124 G125 H126 K242 L325 Q331 A332	D112-R334 IonicContact OD2-CZ 3.43Å; D112-R334 VanDerWaalsContact OD2-CZ 3.32Å; D112-R334 IonicContact OD2-NH1 2.79Å; D112-R334 PolarHBondContact OD2-NH1 2.95Å; D112-R334 IonicContact OD2-NH2 3.13Å; D112-R334 PolarHBondContact OD2-NH2 2.95Å; S121-R334 PolarHBondContact O-NH2 3.29Å; Y124-R334 PolarHBondContact O-NE 3.35Å; Y124-R334 PolarHBondContact O-NH2 2.87Å; G125-R334 VanDerWaalsContact C-NH2 3.31Å; G125-R334 PolarHBondContact O-NH2 3.44Å; G125-R334 VanDerWaalsContact O-NH2 3.12Å; H126-R334 VanDerWaalsContact CA-NH2 3.33Å; H126-R334 VanDerWaalsContact CB-CZ 3.42Å; H126-R334 PolarHBondContact ND1-NH1 3.3Å; K242-R334 WeakPolarHBondContact CE-O 3.19Å; L325-R334 HydrophobicContact CD2-CB 4.2Å; Q331-R334 PolarHBondContact O-N 2.7Å; Q331-R334 VanDerWaalsContact OE1-NH1 3.1Å; A332-R334 PolarHBondContact O-N 2.79Å
335	S	96.8	Very high	94	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.014	17%	0.171	C	C	.	.			trans	-65.4	156.3	167.9	-45.7	0	0	0	0	111.6	G125 H126 C189 K242 S243 D244	G125-S335 CarbonylContact C-O 3.53Å; G125-S335 WeakPolarHBondContact CA-O 3.22Å; H126-S335 PolarHBondContact N-O 2.81Å; C189-S335 WeakPolarHBondContact O-CB 3.35Å; K242-S335 CarbonylContact O-C 3.54Å; K242-S335 WeakPolarHBondContact O-CA 3.49Å; K242-S335 WeakPolarHBondContact O-CB 3.46Å; S243-S335 WeakPolarHBondContact CA-OG 3.35Å; D244-S335 PolarHBondContact N-OG 3.44Å; D244-S335 VanDerWaalsContact N-OG 3.1Å
336	G	97.4	Very high	94.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.1	177.2	176.2	0	0	0	0	0	111.7	K242	K242-G336 WeakPolarHBondContact CG-O 3.35Å; K242-G336 PolarHBondContact N-O 3.34Å; K242-G336 PolarHBondContact O-N 2.95Å
337	G	97.9	Very high	94.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	176.3	-177.7	0	0	0	0	0	116	F240 G323 D324	F240-G337 CarbonylContact O-C 3.57Å; F240-G337 WeakPolarHBondContact O-CA 3.24Å; G323-G337 VanDerWaalsContact CA-O 3.3Å; G323-G337 WeakPolarHBondContact CA-O 3.2Å; D324-G337 WeakPolarHBondContact CB-O 3.39Å; D324-G337 PolarHBondContact N-O 2.89Å; D324-G337 PolarHBondContact OD2-N 3.37Å
338	F	98.8	Very high	94.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	129	174.6	-74.3	-89.7	0	0	0	110	H239 F240 I250 F251 M255 K307 C321 I322 L325	H239-F338 WeakPolarHBondContact CA-O 3.17Å; F240-F338 PolarHBondContact N-O 3.08Å; F240-F338 PolarHBondContact O-N 2.87Å; I250-F338 HydrophobicContact CD1-CD2 4.37Å; I250-F338 HydrophobicContact CG2-CE2 4.27Å; F251-F338 HydrophobicContact CE1-CD1 4.44Å; F251-F338 AromaticContact CE1-CE1 3.97Å; F251-F338 HydrophobicContact CE1-CE1 3.97Å; F251-F338 HydrophobicContact CE1-CE2 4.04Å; F251-F338 AromaticContact CE1-CZ 3.78Å; F251-F338 HydrophobicContact CE1-CZ 3.78Å; F251-F338 HydrophobicContact CE2-CE2 4.14Å; F251-F338 HydrophobicContact CE2-CZ 4.01Å; F251-F338 HydrophobicContact CZ-CD2 4.47Å; F251-F338 AromaticContact CZ-CE1 3.74Å; F251-F338 HydrophobicContact CZ-CE1 3.74Å; F251-F338 AromaticContact CZ-CE2 3.59Å; F251-F338 HydrophobicContact CZ-CE2 3.59Å; F251-F338 AromaticContact CZ-CZ 3.18Å; F251-F338 HydrophobicContact CZ-CZ 3.18Å; M255-F338 HydrophobicContact CE-CB 3.65Å; M255-F338 HydrophobicContact CE-CD1 4.42Å; M255-F338 HydrophobicContact CE-CD2 4.22Å; M255-F338 HydrophobicContact CE-CG 3.84Å; M255-F338 HydrophobicContact SD-CB 4.13Å; M255-F338 HydrophobicContact SD-CD2 3.76Å; M255-F338 HydrophobicContact SD-CE2 4.48Å; M255-F338 HydrophobicContact SD-CG 4.02Å; K307-F338 HydrophobicContact CB-CE1 4.22Å; K307-F338 HydrophobicContact CB-CZ 4.48Å; C321-F338 HydrophobicContact CB-CB 4.26Å; C321-F338 HydrophobicContact CB-CD1 4.41Å; I322-F338 WeakPolarHBondContact O-CA 3.22Å; L325-F338 HydrophobicContact CB-CE2 3.95Å; L325-F338 HydrophobicContact CB-CZ 4.23Å; L325-F338 HydrophobicContact CD1-CE2 4.48Å; L325-F338 WeakPolarHBondContact O-CZ 3.48Å
339	I	98.9	Very high	94.8	Very high	4 Å²	4	38.5 Å²	38.5	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	126.4	168.3	-162.3	148.5	0	0	0	109.6	I142 I170 I172 F174 L229 F237 L238 C321 I322	I142-I339 HydrophobicContact CD1-CB 4.01Å; I142-I339 HydrophobicContact CD1-CD1 4.34Å; I142-I339 HydrophobicContact CD1-CG2 3.86Å; I170-I339 HydrophobicContact CD1-CG2 4.44Å; I170-I339 HydrophobicContact CG2-CG2 3.52Å; I172-I339 HydrophobicContact CD1-CD1 3.34Å; I172-I339 HydrophobicContact CD1-CG1 4.07Å; F174-I339 HydrophobicContact CZ-CD1 4.41Å; L229-I339 HydrophobicContact CD1-CD1 4.32Å; F237-I339 HydrophobicContact CB-CD1 4.07Å; F237-I339 HydrophobicContact CB-CG1 3.87Å; F237-I339 HydrophobicContact CD1-CD1 4.34Å; F237-I339 HydrophobicContact CD1-CG1 3.94Å; F237-I339 HydrophobicContact CG-CD1 4.35Å; F237-I339 HydrophobicContact CG-CG1 4.23Å; L238-I339 CarbonylContact O-C 3.58Å; L238-I339 WeakPolarHBondContact O-CA 3.34Å; C321-I339 CarbonylContact C-O 3.58Å; C321-I339 WeakPolarHBondContact CA-O 3.27Å; I322-I339 PolarHBondContact N-O 3.21Å; I322-I339 PolarHBondContact O-N 2.6Å
340	C	98.9	Very high	95.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	145.8	-173.6	-61.2	0	0	0	0	111	F237 L238 F240 W319 T320 C321	F237-C340 CarbonylContact C-O 3.54Å; F237-C340 VanDerWaalsContact CA-O 3.23Å; F237-C340 WeakPolarHBondContact CA-O 3.18Å; L238-C340 HydrophobicContact CB-CB 4.26Å; L238-C340 PolarHBondContact N-O 2.81Å; L238-C340 PolarHBondContact O-N 3.06Å; F240-C340 HydrophobicContact CE2-CB 4.45Å; W319-C340 HydrophobicContact CE3-CB 4.03Å; W319-C340 HydrophobicContact CZ3-CB 4.23Å; T320-C340 CarbonylContact O-C 3.58Å; T320-C340 WeakPolarHBondContact O-CA 3.16Å; C321-C340 HydrophobicContact CB-CB 4.05Å; C321-C340 WeakPolarHBondContact CB-SG 3.22Å; C321-C340 WeakPolarHBondContact SG-CB 3.38Å; C321-C340 CovalentContact SG-SG 2.03Å; C321-C340 PolarHBondContact SG-SG 2.85Å
341	T	98.5	Very high	95.8	Very high	5 Å²	5	32.3 Å²	32.3	3%	0.031	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	156.4	177	-173.2	0	0	0	0	111.3	K236 F237 W319 T320 N343 I346	K236-T341 PolarHBondContact O-OG1 2.79Å; F237-T341 HydrophobicContact CD1-CG2 4.37Å; F237-T341 HydrophobicContact CE1-CG2 4.09Å; W319-T341 WeakPolarHBondContact CA-O 3.29Å; T320-T341 PolarHBondContact N-O 3.01Å; T320-T341 PolarHBondContact O-N 3.22Å; T341-N343 HydrophobicContact CG2-CB 4.06Å; T341-N343 PolarHBondContact OG1-N 2.85Å; T341-I346 HydrophobicContact CG2-CB 4.5Å; T341-I346 HydrophobicContact CG2-CD1 3.87Å; T341-I346 HydrophobicContact CG2-CG2 4.45Å
342	Q	97.5	Very high	96.3	Very high	98 Å²	98	32.9 Å²	32.9	46%	0.458	16%	0.163	S	C	.	.			trans	-98.6	15.6	170.6	-58.3	-173.3	-79.2	0	0	112.7	H318 W319 W344	H318-Q342 VanDerWaalsContact O-CA 3.26Å; H318-Q342 WeakPolarHBondContact O-CA 3.43Å; W319-Q342 HydrophobicContact CD2-CG 3.68Å; W319-Q342 HydrophobicContact CE3-CG 3.54Å; W319-Q342 HydrophobicContact CH2-CG 3.41Å; W319-Q342 VanDerWaalsContact CH2-CG 3.41Å; W319-Q342 VanDerWaalsContact CZ2-CD 3.41Å; W319-Q342 HydrophobicContact CZ2-CG 3.54Å; W319-Q342 HydrophobicContact CZ3-CG 3.42Å; W319-Q342 VanDerWaalsContact CZ3-CG 3.42Å; Q342-W344 PolarHBondContact O-N 3.23Å; Q342-W344 VanDerWaalsContact O-N 3.09Å
343	N	97.4	Very high	97	Very high	26 Å²	26	32.3 Å²	32.3	14%	0.139	16%	0.157	C	C	.	.			trans	-60.6	117.2	177.6	-176.3	-67.9	0	0	0	110.2	W42 Q235 T341 H345 I346 Y347	W42-N343 WeakPolarHBondContact CZ2-ND2 3.18Å; Q235-N343 PolarHBondContact OE1-ND2 3.37Å; T341-N343 HydrophobicContact CG2-CB 4.06Å; T341-N343 PolarHBondContact OG1-N 2.85Å; N343-H345 VanDerWaalsContact C-N 3.31Å; N343-H345 PolarHBondContact O-N 3.07Å; N343-H345 WeakPolarHBondContact OD1-CA 3.4Å; N343-H345 WeakPolarHBondContact OD1-CB 3.43Å; N343-H345 PolarHBondContact OD1-N 3.13Å; N343-I346 HydrophobicContact CB-CB 4.25Å; N343-I346 HydrophobicContact CB-CD1 3.96Å; N343-I346 HydrophobicContact CB-CG1 4.08Å; N343-I346 PolarHBondContact O-N 3.31Å; N343-I346 PolarHBondContact OD1-N 3.13Å; N343-I346 VanDerWaalsContact OD1-N 3.08Å; N343-Y347 PolarHBondContact O-N 2.83Å
344	W	96	Very high	97.3	Very high	113 Å²	113	27.3 Å²	27.3	43%	0.428	14%	0.138	S	C	.	.	H	α-helix	trans	-59.8	-38.5	-175.9	175	-112	0	0	0	113.3	H318 Q342 Y347 Q348	H318-W344 HydrophobicContact CB-CE3 4.22Å; H318-W344 HydrophobicContact CB-CZ3 4.47Å; H318-W344 AromaticContact CD2-CZ3 3.7Å; H318-W344 AromaticContact CE1-CE3 3.83Å; H318-W344 AromaticContact CE1-CZ3 3.3Å; H318-W344 WeakPolarHBondContact CE1-CZ3 3.49Å; H318-W344 AromaticContact CG-CE3 3.74Å; H318-W344 AromaticContact CG-CZ3 3.62Å; H318-W344 AromaticContact ND1-CE3 3.43Å; H318-W344 AromaticContact ND1-CZ3 3.37Å; H318-W344 WeakPolarHBondContact ND1-CZ3 3.36Å; H318-W344 AromaticContact NE2-CZ3 3.49Å; H318-W344 WeakPolarHBondContact NE2-CZ3 3.5Å; Q342-W344 PolarHBondContact O-N 3.23Å; Q342-W344 VanDerWaalsContact O-N 3.09Å; W344-Y347 AromaticContact CE3-CD1 3.88Å; W344-Y347 HydrophobicContact CE3-CD1 3.88Å; W344-Y347 AromaticContact CZ3-CD1 3.69Å; W344-Y347 HydrophobicContact CZ3-CD1 3.69Å; W344-Y347 AromaticContact CZ3-CE1 3.94Å; W344-Y347 HydrophobicContact CZ3-CE1 3.94Å; W344-Y347 PolarHBondContact O-N 3.34Å; W344-Q348 HydrophobicContact CD2-CG 3.88Å; W344-Q348 HydrophobicContact CE3-CG 4.23Å; W344-Q348 HydrophobicContact CG-CG 4.44Å; W344-Q348 HydrophobicContact CH2-CG 4.05Å; W344-Q348 VanDerWaalsContact CZ2-CD 3.41Å; W344-Q348 HydrophobicContact CZ2-CG 3.67Å; W344-Q348 HydrophobicContact CZ3-CG 4.29Å; W344-Q348 WeakPolarHBondContact O-CB 3.26Å; W344-Q348 WeakPolarHBondContact O-CG 3.45Å; W344-Q348 PolarHBondContact O-N 3.35Å
345	H	96.9	Very high	97.4	Very high	63 Å²	63	30.1 Å²	30.1	29%	0.292	15%	0.154	S	C	.	.	H	α-helix	trans	-69	-41.1	-179.6	-62.2	-55.9	0	0	0	111.8	R71 N343 A349	R71-H345 PolarHBondContact O-ND1 3.2Å; N343-H345 VanDerWaalsContact C-N 3.31Å; N343-H345 PolarHBondContact O-N 3.07Å; N343-H345 WeakPolarHBondContact OD1-CA 3.4Å; N343-H345 WeakPolarHBondContact OD1-CB 3.43Å; N343-H345 PolarHBondContact OD1-N 3.13Å; H345-A349 WeakPolarHBondContact O-CB 3.42Å; H345-A349 PolarHBondContact O-N 3.48Å
346	I	97.9	Very high	97.4	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-63.1	-46.5	173.1	-60.3	178.3	0	0	0	109.7	W42 L66 T320 T341 N343 Q348 A349 F350	W42-I346 HydrophobicContact CD2-CD1 4.11Å; W42-I346 HydrophobicContact CE3-CD1 3.72Å; W42-I346 HydrophobicContact CE3-CG1 4.27Å; W42-I346 HydrophobicContact CH2-CD1 3.64Å; W42-I346 HydrophobicContact CH2-CG1 3.42Å; W42-I346 VanDerWaalsContact CH2-CG1 3.42Å; W42-I346 HydrophobicContact CZ2-CD1 3.99Å; W42-I346 HydrophobicContact CZ2-CG1 4.12Å; W42-I346 HydrophobicContact CZ3-CD1 3.48Å; W42-I346 VanDerWaalsContact CZ3-CD1 3.48Å; W42-I346 HydrophobicContact CZ3-CG1 3.51Å; L66-I346 HydrophobicContact CD2-CB 4.5Å; L66-I346 HydrophobicContact CD2-CG1 4.07Å; T320-I346 HydrophobicContact CG2-CG2 3.73Å; T341-I346 HydrophobicContact CG2-CB 4.5Å; T341-I346 HydrophobicContact CG2-CD1 3.87Å; T341-I346 HydrophobicContact CG2-CG2 4.45Å; N343-I346 HydrophobicContact CB-CB 4.25Å; N343-I346 HydrophobicContact CB-CD1 3.96Å; N343-I346 HydrophobicContact CB-CG1 4.08Å; N343-I346 PolarHBondContact O-N 3.31Å; N343-I346 PolarHBondContact OD1-N 3.13Å; N343-I346 VanDerWaalsContact OD1-N 3.08Å; I346-Q348 PolarHBondContact O-N 3.15Å; I346-A349 WeakPolarHBondContact O-CB 3.49Å; I346-A349 PolarHBondContact O-N 3.34Å; I346-F350 HydrophobicContact CG2-CD2 3.76Å; I346-F350 HydrophobicContact CG2-CE2 3.9Å; I346-F350 WeakPolarHBondContact O-CD2 3.46Å; I346-F350 PolarHBondContact O-N 3.04Å
347	Y	98.1	Very high	97.3	Very high	7 Å²	7	39.6 Å²	39.6	3%	0.027	19%	0.191	C	C	.	.	H	α-helix	trans	-56.9	-52.1	177.6	174.4	-99.6	0	0	0	112.7	I310 S311 K313 H318 W319 T320 N343 W344 A349 F350 Q351	I310-Y347 HydrophobicContact CB-CD2 4.42Å; I310-Y347 HydrophobicContact CB-CE2 4.27Å; S311-Y347 WeakPolarHBondContact O-CE2 3.24Å; S311-Y347 PolarHBondContact O-OH 2.88Å; S311-Y347 WeakPolarHBondContact OG-CE2 3.21Å; K313-Y347 WeakPolarHBondContact CA-OH 3.48Å; H318-Y347 HydrophobicContact CB-CD1 3.74Å; H318-Y347 HydrophobicContact CB-CD2 3.89Å; H318-Y347 HydrophobicContact CB-CE1 4.16Å; H318-Y347 HydrophobicContact CB-CE2 4.28Å; H318-Y347 HydrophobicContact CB-CG 3.6Å; H318-Y347 AromaticContact CD2-CD1 3.8Å; H318-Y347 AromaticContact CD2-CE1 3.37Å; H318-Y347 WeakPolarHBondContact CD2-CE1 3.46Å; H318-Y347 AromaticContact CD2-CZ 3.65Å; H318-Y347 AromaticContact CG-CD1 3.88Å; H318-Y347 AromaticContact CG-CE1 3.94Å; W319-Y347 WeakPolarHBondContact O-CD2 3.42Å; T320-Y347 WeakPolarHBondContact OG1-CA 3.48Å; T320-Y347 PolarHBondContact OG1-N 2.66Å; N343-Y347 PolarHBondContact O-N 2.83Å; W344-Y347 AromaticContact CE3-CD1 3.88Å; W344-Y347 HydrophobicContact CE3-CD1 3.88Å; W344-Y347 AromaticContact CZ3-CD1 3.69Å; W344-Y347 HydrophobicContact CZ3-CD1 3.69Å; W344-Y347 AromaticContact CZ3-CE1 3.94Å; W344-Y347 HydrophobicContact CZ3-CE1 3.94Å; W344-Y347 PolarHBondContact O-N 3.34Å; Y347-A349 VanDerWaalsContact C-N 3.27Å; Y347-A349 PolarHBondContact O-N 3.35Å; Y347-F350 PolarHBondContact O-N 3.19Å; Y347-Q351 HydrophobicContact CE1-CB 4.39Å; Y347-Q351 HydrophobicContact CE1-CG 4.47Å; Y347-Q351 WeakPolarHBondContact O-CB 3.41Å; Y347-Q351 PolarHBondContact O-N 3.4Å
348	Q	96.8	Very high	97.2	Very high	85 Å²	85	42.4 Å²	42.4	40%	0.397	20%	0.204	S	C	.	.	H	α-helix	trans	-59.7	-40.5	178.7	-74.4	-168.3	-53.9	0	0	111.8	W344 I346 Q351 G352	W344-Q348 HydrophobicContact CD2-CG 3.88Å; W344-Q348 HydrophobicContact CE3-CG 4.23Å; W344-Q348 HydrophobicContact CG-CG 4.44Å; W344-Q348 HydrophobicContact CH2-CG 4.05Å; W344-Q348 VanDerWaalsContact CZ2-CD 3.41Å; W344-Q348 HydrophobicContact CZ2-CG 3.67Å; W344-Q348 HydrophobicContact CZ3-CG 4.29Å; W344-Q348 WeakPolarHBondContact O-CB 3.26Å; W344-Q348 WeakPolarHBondContact O-CG 3.45Å; W344-Q348 PolarHBondContact O-N 3.35Å; I346-Q348 PolarHBondContact O-N 3.15Å; Q348-Q351 PolarHBondContact O-N 3.05Å; Q348-G352 PolarHBondContact O-N 2.96Å
349	A	97.1	Very high	96.9	Very high	8 Å²	8	46 Å²	46	7%	0.066	23%	0.228	C	C	.	.	H	α-helix	trans	-62.8	-49.3	179.8	0	0	0	0	0	111.4	L66 W73 H345 I346 Y347 G352	L66-A349 HydrophobicContact CD2-CB 3.66Å; W73-A349 VanDerWaalsContact CD1-O 3.24Å; W73-A349 HydrophobicContact CD2-CB 4.09Å; W73-A349 HydrophobicContact CG-CB 4Å; W73-A349 HydrophobicContact CZ2-CB 4.36Å; W73-A349 PolarHBondContact NE1-O 2.74Å; H345-A349 WeakPolarHBondContact O-CB 3.42Å; H345-A349 PolarHBondContact O-N 3.48Å; I346-A349 WeakPolarHBondContact O-CB 3.49Å; I346-A349 PolarHBondContact O-N 3.34Å; Y347-A349 VanDerWaalsContact C-N 3.27Å; Y347-A349 PolarHBondContact O-N 3.35Å; A349-G352 PolarHBondContact O-N 3.02Å
350	F	97.9	Very high	96.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-72.6	-33	177.8	-81.9	-93.2	0	0	0	113.1	T44 Y46 W73 W308 I310 T320 I322 I346 Y347 G352 L353	T44-F350 HydrophobicContact CG2-CE2 4.14Å; Y46-F350 HydrophobicContact CD2-CE1 4.15Å; Y46-F350 HydrophobicContact CE2-CE1 4.22Å; W73-F350 AromaticContact CH2-CE2 3.91Å; W73-F350 HydrophobicContact CH2-CE2 3.91Å; W73-F350 HydrophobicContact CH2-CZ 4.11Å; W73-F350 AromaticContact CZ2-CD2 3.86Å; W73-F350 HydrophobicContact CZ2-CD2 3.86Å; W73-F350 HydrophobicContact CZ2-CE1 4.39Å; W73-F350 AromaticContact CZ2-CE2 3.51Å; W73-F350 HydrophobicContact CZ2-CE2 3.51Å; W73-F350 HydrophobicContact CZ2-CG 4.45Å; W73-F350 AromaticContact CZ2-CZ 3.82Å; W73-F350 HydrophobicContact CZ2-CZ 3.82Å; W308-F350 HydrophobicContact CB-CD1 4.36Å; W308-F350 HydrophobicContact CB-CE1 4.03Å; W308-F350 AromaticContact CD1-CE1 3.98Å; W308-F350 AromaticContact CD2-CD1 3.39Å; W308-F350 HydrophobicContact CD2-CD1 3.39Å; W308-F350 AromaticContact CD2-CE1 3.75Å; W308-F350 HydrophobicContact CD2-CE1 3.75Å; W308-F350 AromaticContact CE2-CD1 3.76Å; W308-F350 HydrophobicContact CE3-CB 4.19Å; W308-F350 AromaticContact CE3-CD1 3.44Å; W308-F350 HydrophobicContact CE3-CD1 3.44Å; W308-F350 VanDerWaalsContact CE3-CD1 3.44Å; W308-F350 HydrophobicContact CE3-CE1 4.22Å; W308-F350 HydrophobicContact CE3-CG 4.22Å; W308-F350 AromaticContact CG-CD1 3.83Å; W308-F350 HydrophobicContact CG-CD1 3.83Å; W308-F350 AromaticContact CG-CE1 3.65Å; W308-F350 HydrophobicContact CG-CE1 3.65Å; W308-F350 HydrophobicContact CH2-CB 4.43Å; W308-F350 HydrophobicContact CH2-CD1 4.14Å; W308-F350 WeakPolarHBondContact CH2-O 3.28Å; W308-F350 HydrophobicContact CZ2-CD1 4.13Å; W308-F350 HydrophobicContact CZ3-CB 3.93Å; W308-F350 AromaticContact CZ3-CD1 3.82Å; W308-F350 HydrophobicContact CZ3-CD1 3.82Å; W308-F350 HydrophobicContact CZ3-CG 4.37Å; I310-F350 HydrophobicContact CG2-CB 3.62Å; T320-F350 HydrophobicContact CG2-CB 4.18Å; T320-F350 HydrophobicContact CG2-CD1 4.41Å; T320-F350 HydrophobicContact CG2-CD2 3.74Å; T320-F350 HydrophobicContact CG2-CE2 4.17Å; T320-F350 HydrophobicContact CG2-CG 3.85Å; I322-F350 HydrophobicContact CD1-CE1 4.49Å; I322-F350 HydrophobicContact CD1-CE2 3.87Å; I322-F350 HydrophobicContact CD1-CZ 3.57Å; I322-F350 HydrophobicContact CG1-CZ 4.03Å; I346-F350 HydrophobicContact CG2-CD2 3.76Å; I346-F350 HydrophobicContact CG2-CE2 3.9Å; I346-F350 WeakPolarHBondContact O-CD2 3.46Å; I346-F350 PolarHBondContact O-N 3.04Å; Y347-F350 PolarHBondContact O-N 3.19Å; F350-G352 VanDerWaalsContact C-N 3.28Å; F350-G352 PolarHBondContact O-N 3.33Å; F350-L353 HydrophobicContact CD1-CD1 4.21Å; F350-L353 WeakPolarHBondContact O-CB 3.06Å; F350-L353 PolarHBondContact O-N 3.31Å; F350-L353 VanDerWaalsContact O-N 3.1Å
351	Q	97.1	Very high	95.5	Very high	63 Å²	63	58.4 Å²	58.4	29%	0.294	30%	0.297	S	S	.	.	H	α-helix	trans	-60.4	-39.7	173.2	-174.3	-80.8	-11.1	0	0	111.6	I310 Y347 Q348 L353 V354	I310-Q351 VanDerWaalsContact CD1-CA 3.49Å; I310-Q351 HydrophobicContact CD1-CB 3.95Å; I310-Q351 HydrophobicContact CD1-CG 4.33Å; Y347-Q351 HydrophobicContact CE1-CB 4.39Å; Y347-Q351 HydrophobicContact CE1-CG 4.47Å; Y347-Q351 WeakPolarHBondContact O-CB 3.41Å; Y347-Q351 PolarHBondContact O-N 3.4Å; Q348-Q351 PolarHBondContact O-N 3.05Å; Q351-L353 PolarHBondContact O-N 3.31Å; Q351-V354 PolarHBondContact O-N 2.84Å
352	G	95.9	Very high	95.4	Very high	41 Å²	41	61.1 Å²	61.1	42%	0.423	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-17.1	176.6	0	0	0	0	0	114.4	Q348 A349 F350	Q348-G352 PolarHBondContact O-N 2.96Å; A349-G352 PolarHBondContact O-N 3.02Å; F350-G352 VanDerWaalsContact C-N 3.28Å; F350-G352 PolarHBondContact O-N 3.33Å
353	L	97	Very high	95.3	Very high	6 Å²	6	59.2 Å²	59.2	3%	0.031	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-16.5	177.1	-65.2	-179.9	0	0	0	113	Y46 L64 W73 I291 K292 W308 F350 Q351 L355	Y46-L353 HydrophobicContact CD2-CD1 3.54Å; Y46-L353 HydrophobicContact CE2-CD1 3.6Å; Y46-L353 HydrophobicContact CG-CD1 4.42Å; L64-L353 HydrophobicContact CD1-CD2 4Å; W73-L353 HydrophobicContact CZ2-CD1 4.24Å; I291-L353 CarbonylContact C-O 3.58Å; I291-L353 VanDerWaalsContact CA-O 3.27Å; I291-L353 WeakPolarHBondContact CA-O 2.85Å; I291-L353 HydrophobicContact CG2-CB 4.1Å; I291-L353 HydrophobicContact CG2-CD2 4.38Å; K292-L353 PolarHBondContact N-O 2.76Å; K292-L353 VanDerWaalsContact O-CD2 3.3Å; K292-L353 WeakPolarHBondContact O-CD2 3.47Å; W308-L353 HydrophobicContact CH2-CB 4.22Å; W308-L353 HydrophobicContact CZ2-CB 4.22Å; W308-L353 HydrophobicContact CZ2-CD1 4.48Å; F350-L353 HydrophobicContact CD1-CD1 4.21Å; F350-L353 WeakPolarHBondContact O-CB 3.06Å; F350-L353 PolarHBondContact O-N 3.31Å; F350-L353 VanDerWaalsContact O-N 3.1Å; Q351-L353 PolarHBondContact O-N 3.31Å; L353-L355 PolarHBondContact O-N 3.2Å
354	V	97.1	Very high	95.2	Very high	29 Å²	29	61 Å²	61	18%	0.176	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	112.5	-178.7	-176.8	0	0	0	0	110	L264 I288 W308 I310 Q351 Y357	L264-V354 HydrophobicContact CD1-CG1 4.2Å; L264-V354 HydrophobicContact CD1-CG2 4.36Å; I288-V354 HydrophobicContact CD1-CG2 3.81Å; I288-V354 HydrophobicContact CG1-CG1 4.38Å; I288-V354 HydrophobicContact CG1-CG2 4.46Å; W308-V354 HydrophobicContact CH2-CG2 3.85Å; W308-V354 HydrophobicContact CZ3-CG2 4.3Å; I310-V354 HydrophobicContact CD1-CG2 3.69Å; I310-V354 HydrophobicContact CG1-CG2 4.5Å; Q351-V354 PolarHBondContact O-N 2.84Å; V354-Y357 HydrophobicContact CG1-CD1 4.19Å
355	L	96.3	Very high	95.1	Very high	81 Å²	81	57.9 Å²	57.9	42%	0.424	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-51.5	171.5	-174.4	59.4	0	0	0	111.7	A290 K292 Y298 L353	A290-L355 HydrophobicContact CB-CB 4.05Å; A290-L355 HydrophobicContact CB-CD2 4.02Å; A290-L355 HydrophobicContact CB-CG 4.42Å; A290-L355 VanDerWaalsContact O-CB 3.32Å; A290-L355 WeakPolarHBondContact O-CB 3.41Å; A290-L355 PolarHBondContact O-N 3.19Å; K292-L355 HydrophobicContact CB-CB 3.92Å; K292-L355 HydrophobicContact CB-CD1 4.29Å; K292-L355 HydrophobicContact CD-CD1 4.23Å; K292-L355 HydrophobicContact CG-CD1 4.48Å; Y298-L355 HydrophobicContact CD1-CD2 4Å; Y298-L355 HydrophobicContact CD2-CD2 3.89Å; Y298-L355 HydrophobicContact CG-CD2 3.55Å; L353-L355 PolarHBondContact O-N 3.2Å
356	Y	95.3	Very high	95	Very high	135 Å²	135	57.6 Å²	57.6	53%	0.529	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	138.3	-173.3	171.5	-118	0	0	0	109.8	K289 A290	K289-Y356 HydrophobicContact CB-CD1 3.49Å; K289-Y356 VanDerWaalsContact CB-CD1 3.49Å; K289-Y356 HydrophobicContact CB-CE1 3.74Å; K289-Y356 HydrophobicContact CG-CD1 4.06Å; K289-Y356 HydrophobicContact CG-CE1 3.8Å; K289-Y356 PolarHBondContact N-O 3.27Å; A290-Y356 PolarHBondContact N-O 2.72Å; A290-Y356 PolarHBondContact O-N 2.98Å
357	Y	96.4	Very high	94.8	Very high	67 Å²	67	61.4 Å²	61.4	26%	0.263	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	149.8	171.2	65.9	-97.1	0	0	0	110	L264 Y286 N287 Q312 V354	L264-Y357 HydrophobicContact CD1-CD1 4.07Å; L264-Y357 HydrophobicContact CD1-CE1 4.22Å; L264-Y357 HydrophobicContact CD2-CD1 3.87Å; L264-Y357 HydrophobicContact CD2-CD2 4.1Å; L264-Y357 HydrophobicContact CD2-CE1 4.01Å; L264-Y357 HydrophobicContact CD2-CE2 4.24Å; L264-Y357 HydrophobicContact CD2-CG 3.91Å; Y286-Y357 HydrophobicContact CD1-CD2 4.3Å; Y286-Y357 HydrophobicContact CD1-CE2 4.29Å; Y286-Y357 HydrophobicContact CG-CD2 4.05Å; Y286-Y357 HydrophobicContact CG-CE2 4.16Å; N287-Y357 CarbonylContact O-C 3.48Å; N287-Y357 WeakPolarHBondContact O-CA 3.34Å; N287-Y357 WeakPolarHBondContact O-CB 3.47Å; Q312-Y357 PolarHBondContact NE2-OH 2.99Å; V354-Y357 HydrophobicContact CG1-CD1 4.19Å
358	E	95.6	Very high	94.6	Very high	59 Å²	59	65.3 Å²	65.3	28%	0.276	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	126.1	179.2	173.1	176.3	-99.7	0	0	110.3	S277 N287 K289	S277-E358 WeakPolarHBondContact CB-O 3.49Å; S277-E358 PolarHBondContact OG-O 3.37Å; N287-E358 PolarHBondContact O-N 3.46Å; K289-E358 HydrophobicContact CD-CB 4.34Å; K289-E358 VanDerWaalsContact CE-OE1 3.28Å; K289-E358 WeakPolarHBondContact CE-OE1 3.39Å; K289-E358 WeakPolarHBondContact CE-OE2 3.47Å; K289-E358 HydrophobicContact CG-CB 3.96Å; K289-E358 IonicContact NZ-OE1 3.33Å; K289-E358 PolarHBondContact NZ-OE1 2.87Å; K289-E358 IonicContact NZ-OE2 2.84Å; K289-E358 PolarHBondContact NZ-OE2 3.33Å
359	S	93.2	Very high	94.4	Very high	74 Å²	74	63.8 Å²	63.8	52%	0.517	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-72	164.1	172.8	-64.8	0	0	0	0	110.9
360	C	92.9	Very high	94.2	Very high	34 Å²	34	68.4 Å²	68.4	23%	0.23	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-69.8	147.4	166.3	-60.8	0	0	0	0	109.4	C279	C279-C360 HydrophobicContact CB-CB 3.66Å; C279-C360 WeakPolarHBondContact CB-SG 3.4Å; C279-C360 PolarHBondContact N-SG 3.23Å; C279-C360 WeakPolarHBondContact SG-CB 3.19Å; C279-C360 CovalentContact SG-SG 2.02Å; C279-C360 PolarHBondContact SG-SG 2.75Å
361	N	75.7	Confident	93.8	Very high	232 Å²	232	74.6 Å²	74.6	100%	1.241	40%	0.4	S	S	*	.			trans	-75	0	172.3	-66.9	-25.5	0	0	0	111.4

Retrieved 361 of 361 residues in 161.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).