A0A060WH96_ONCMY Loading...

Purple acid phosphatase

AlphaFold DB , UniProt , Accession A0A060WH96, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 441 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	36.9	Very low	39.5	Very low	249 Å²	249	135.6 Å²	135.6	100%	1.227	81%	0.812	S	S	*	*				0	126.5	0	-90.3	174.8	-145	0	0	107.6
2	V	38.4	Very low	39.9	Very low	134 Å²	134	137.5 Å²	137.5	81%	0.812	81%	0.813	S	S	*	*			trans	-64.8	142.9	-174.5	178.9	0	0	0	0	111.1
3	S	34.3	Very low	40.2	Very low	115 Å²	115	135.6 Å²	135.6	80%	0.804	81%	0.811	S	S	*	*			trans	-166.2	98.7	144	-98.9	0	0	0	0	109.4
4	V	37.5	Very low	40.8	Very low	119 Å²	119	138.5 Å²	138.5	72%	0.721	82%	0.819	S	S	*	*				76.2	107.4	102.8	177.7	0	0	0	0	112.9
5	V	41.2	Very low	41.4	Very low	135 Å²	135	134.5 Å²	134.5	82%	0.818	81%	0.808	S	S	*	*			trans	-70.3	132.8	170.9	174.2	0	0	0	0	109.5
6	V	39.3	Very low	41.9	Very low	125 Å²	125	133 Å²	133	76%	0.758	80%	0.802	S	S	*	*			trans	-116.3	113.6	162.6	177.6	0	0	0	0	107.6
7	A	41.3	Very low	42.3	Very low	80 Å²	80	134.8 Å²	134.8	66%	0.661	81%	0.805	S	S	*	*			trans	-77.8	130.4	172.5	0	0	0	0	0	109.7
8	V	40	Very low	42.4	Very low	123 Å²	123	135.6 Å²	135.6	75%	0.745	80%	0.804	S	S	*	*			trans	-102.3	109.9	170.4	176.9	0	0	0	0	107.7	V10	V8-V10 HydrophobicContact CG1-CG2 4.45Å
9	F	39.8	Very low	43	Very low	198 Å²	198	134.5 Å²	134.5	87%	0.868	80%	0.798	S	S	*	*			trans	-74.4	119.3	166.9	-94.6	-92.7	0	0	0	109
10	V	43.3	Very low	43.1	Very low	115 Å²	115	135.6 Å²	135.6	70%	0.697	80%	0.799	S	S	*	*			trans	-95.9	106	166.6	178.3	0	0	0	0	107.5	V8 L12	V8-V10 HydrophobicContact CG1-CG2 4.45Å; V10-L12 PolarHBondContact O-N 3.42Å
11	A	42.2	Very low	43.6	Very low	99 Å²	99	133.7 Å²	133.7	82%	0.818	79%	0.793	S	S	*	*			trans	-78.6	106.3	167.8	0	0	0	0	0	108.7	S13	A11-S13 PolarHBondContact O-N 3.39Å
12	L	44.4	Very low	44.5	Very low	158 Å²	158	128 Å²	128	83%	0.827	77%	0.773	S	S	*	*			trans	-80.3	107	166.9	-91	150.5	0	0	0	108.1	V10 L14	V10-L12 PolarHBondContact O-N 3.42Å; L12-L14 PolarHBondContact O-N 3.21Å
13	S	44.1	Very low	45.6	Very low	113 Å²	113	126.6 Å²	126.6	79%	0.79	77%	0.766	S	S	*	*			trans	-66.5	108.9	172.1	56.4	0	0	0	0	110.1	A11 A15	A11-S13 PolarHBondContact O-N 3.39Å; S13-A15 PolarHBondContact O-N 3.11Å; S13-A15 VanDerWaalsContact O-N 3.11Å
14	L	48.7	Very low	47.2	Very low	176 Å²	176	126.9 Å²	126.9	92%	0.921	77%	0.765	S	S	*	*			trans	-71.5	93.5	162.9	-81	155.3	0	0	0	108.2	L12	L12-L14 PolarHBondContact O-N 3.21Å
15	A	49.4	Very low	49.3	Very low	79 Å²	79	127 Å²	127	65%	0.653	76%	0.761	S	S	*	*			trans	-73.3	124.9	163.4	0	0	0	0	0	108	S13 L17	S13-A15 PolarHBondContact O-N 3.11Å; S13-A15 VanDerWaalsContact O-N 3.11Å; A15-L17 PolarHBondContact O-N 2.91Å
16	P	49.7	Very low	51.6	Low	110 Å²	110	121.3 Å²	121.3	71%	0.714	73%	0.728	S	S	*	*			trans	-69.4	117.3	172.3	26.6	-28.7	0	0	0	108.2	L18	P16-L18 VanDerWaalsContact C-N 3.25Å; P16-L18 PolarHBondContact O-N 3.22Å
17	L	48.3	Very low	54.3	Low	163 Å²	163	116.6 Å²	116.6	85%	0.853	70%	0.7	S	S	*	*			trans	-64.3	93.9	161.1	-95.8	126.5	0	0	0	107.1	A15 V19	A15-L17 PolarHBondContact O-N 2.91Å; L17-V19 PolarHBondContact O-N 3.03Å
18	L	44.2	Very low	56.9	Low	149 Å²	149	116.7 Å²	116.7	78%	0.78	69%	0.687	S	S	*	*			trans	-64.2	84.1	160.3	-91.9	144.6	0	0	0	107.2	P16 L20	P16-L18 VanDerWaalsContact C-N 3.25Å; P16-L18 PolarHBondContact O-N 3.22Å; L18-L20 VanDerWaalsContact C-N 3.28Å; L18-L20 PolarHBondContact O-N 3.18Å
19	V	52.9	Low	59.7	Low	115 Å²	115	111.3 Å²	111.3	70%	0.697	65%	0.654	S	S	*	*			trans	-66.4	100	157.2	-178.2	0	0	0	0	104.5	L17 S21	L17-V19 PolarHBondContact O-N 3.03Å; V19-S21 PolarHBondContact O-N 2.82Å
20	L	46.3	Very low	62.5	Low	156 Å²	156	104 Å²	104	82%	0.817	62%	0.623	S	S	*	*			trans	-62.1	90.3	164.6	-80.7	158.2	0	0	0	106.4	L18 V22	L18-L20 VanDerWaalsContact C-N 3.28Å; L18-L20 PolarHBondContact O-N 3.18Å; L20-V22 PolarHBondContact O-N 2.86Å
21	S	52.9	Low	65.1	Low	97 Å²	97	98.6 Å²	98.6	68%	0.678	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-59.4	118.7	170.2	54.1	0	0	0	0	107.1	V19	V19-S21 PolarHBondContact O-N 2.82Å
22	V	55.9	Low	67.8	Low	130 Å²	130	94 Å²	94	79%	0.788	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-55.7	122.8	165.6	178.1	0	0	0	0	105.9	L20	L20-V22 PolarHBondContact O-N 2.86Å
23	P	61.4	Low	70.4	Confident	103 Å²	103	86.6 Å²	86.6	67%	0.669	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-59.2	134.7	-178.5	22.1	-30.6	0	0	0	108.6
24	P	68.6	Low	73	Confident	122 Å²	122	81.2 Å²	81.2	79%	0.792	48%	0.475	S	S	*	.	P	Polyproline II helix	trans	-58	147.1	178.6	23.3	-31.7	0	0	0	110.3	G26	P24-G26 PolarHBondContact O-N 3.05Å
25	I	81.2	Confident	75.4	Confident	122 Å²	122	72.9 Å²	72.9	63%	0.626	43%	0.432	S	S	*	.			trans	-69.7	104.4	176.2	-63.1	175.3	0	0	0	107.6	T27 Q28	I25-T27 WeakPolarHBondContact CG2-OG1 3.15Å; I25-T27 PolarHBondContact O-N 3.2Å; I25-T27 VanDerWaalsContact O-N 3.13Å; I25-Q28 WeakPolarHBondContact O-CB 3.5Å; I25-Q28 PolarHBondContact O-N 2.94Å
26	G	90	Very high	77.7	Confident	14 Å²	14	70.5 Å²	70.5	14%	0.144	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-5.8	-177.2	0	0	0	0	0	115	P24 T49 F50 N51	P24-G26 PolarHBondContact O-N 3.05Å; G26-T49 WeakPolarHBondContact O-CB 3.41Å; G26-F50 CarbonylContact O-C 3.36Å; G26-F50 PolarHBondContact O-N 2.88Å; G26-N51 PolarHBondContact O-N 2.73Å
27	T	95.3	Very high	79.9	Confident	26 Å²	26	66.3 Å²	66.3	16%	0.16	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-4.3	175.9	53.8	0	0	0	0	113.3	I25 P29 N51 T53 A113	I25-T27 WeakPolarHBondContact CG2-OG1 3.15Å; I25-T27 PolarHBondContact O-N 3.2Å; I25-T27 VanDerWaalsContact O-N 3.13Å; T27-P29 WeakPolarHBondContact O-CD 3.37Å; T27-N51 HydrophobicContact CG2-CB 3.8Å; T27-T53 HydrophobicContact CG2-CG2 4Å; T27-A113 HydrophobicContact CG2-CB 4.15Å; T27-A113 PolarHBondContact OG1-O 2.99Å
28	Q	96.1	Very high	82.1	Confident	83 Å²	83	60.3 Å²	60.3	39%	0.388	36%	0.358	S	S	.	.	S	Bend	trans	-72	124.4	178.6	-178.5	59.2	39.7	0	0	110.1	I25 W115	I25-Q28 WeakPolarHBondContact O-CB 3.5Å; I25-Q28 PolarHBondContact O-N 2.94Å; Q28-W115 PolarHBondContact NE2-O 2.89Å
29	P	98.3	Very high	84.6	Confident	9 Å²	9	57.9 Å²	57.9	6%	0.058	34%	0.342	C	S	.	.			trans	-62.4	134.2	175.1	-27.8	38.5	0	0	0	112.6	T27 W47 C109 G114	T27-P29 WeakPolarHBondContact O-CD 3.37Å; P29-W47 HydrophobicContact CB-CG 4.16Å; P29-C109 WeakPolarHBondContact CG-O 3.18Å; P29-G114 WeakPolarHBondContact CD-O 3.45Å
30	E	98.3	Very high	86.6	Confident	46 Å²	46	55.4 Å²	55.4	22%	0.215	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	179.2	169.2	58.2	166	-123.2	0	0	110.5	V32 T48 F50 R186	E30-V32 PolarHBondContact O-N 2.99Å; E30-T48 PolarHBondContact N-O 2.85Å; E30-T48 VanDerWaalsContact N-O 3.15Å; E30-T48 PolarHBondContact O-N 3.2Å; E30-F50 HydrophobicContact CG-CE2 4.35Å; E30-F50 WeakPolarHBondContact OE1-CE2 3.43Å; E30-R186 IonicContact OE1-CZ 3.52Å; E30-R186 IonicContact OE1-NH1 3.93Å; E30-R186 PolarHBondContact OE1-NH1 3.46Å; E30-R186 IonicContact OE2-NH1 3.89Å
31	Q	98.6	Very high	89	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	59.9	32.3	178.4	-56.1	175.4	32.9	0	0	112.4	H33 T48 D182 M185 R186	Q31-H33 PolarHBondContact O-N 3.47Å; Q31-H33 PolarHBondContact O-ND1 2.95Å; Q31-T48 PolarHBondContact OE1-OG1 3.39Å; Q31-D182 PolarHBondContact NE2-OD1 3.24Å; Q31-M185 HydrophobicContact CB-CB 3.73Å; Q31-M185 HydrophobicContact CG-CB 3.58Å; Q31-R186 HydrophobicContact CG-CG 4.06Å
32	V	98.9	Very high	91.1	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	127.9	-176.3	-176.4	0	0	0	0	109.7	E30 I45 T46 W47 Y107 F119 Q189 A193	E30-V32 PolarHBondContact O-N 2.99Å; V32-I45 HydrophobicContact CG1-CG2 4.47Å; V32-T46 WeakPolarHBondContact CA-O 3.47Å; V32-W47 HydrophobicContact CG2-CB 3.93Å; V32-Y107 HydrophobicContact CG1-CE2 4.12Å; V32-Y107 WeakPolarHBondContact CG1-OH 3.21Å; V32-F119 HydrophobicContact CB-CE2 3.92Å; V32-F119 HydrophobicContact CB-CZ 4.23Å; V32-F119 HydrophobicContact CG1-CD2 4.09Å; V32-F119 HydrophobicContact CG1-CE2 3.95Å; V32-F119 HydrophobicContact CG2-CE2 3.8Å; V32-F119 HydrophobicContact CG2-CZ 4.25Å; V32-Q189 HydrophobicContact CB-CG 4.22Å; V32-Q189 WeakPolarHBondContact O-CG 3.47Å; V32-A193 HydrophobicContact CB-CB 4.34Å; V32-A193 HydrophobicContact CG1-CB 4.15Å
33	H	98.9	Very high	93.1	Very high	4 Å²	4	38 Å²	38	2%	0.019	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	155.8	175.4	59.7	-76.9	0	0	0	111.3	Q31 T46 M185 A192 R216	Q31-H33 PolarHBondContact O-N 3.47Å; Q31-H33 PolarHBondContact O-ND1 2.95Å; H33-T46 VanDerWaalsContact CE1-CB 3.49Å; H33-T46 WeakPolarHBondContact CE1-CB 3.45Å; H33-T46 WeakPolarHBondContact CE1-CG2 3.49Å; H33-T46 PolarHBondContact N-O 2.71Å; H33-T46 WeakPolarHBondContact NE2-CB 3.47Å; H33-T46 PolarHBondContact O-N 3.09Å; H33-M185 WeakPolarHBondContact ND1-CE 3.21Å; H33-A192 CarbonylContact C-O 3.6Å; H33-A192 VanDerWaalsContact CA-O 3.27Å; H33-A192 WeakPolarHBondContact CA-O 3.28Å; H33-A192 HydrophobicContact CB-CB 3.52Å; H33-R216 PolarHBondContact CE1-O 3.49Å; H33-R216 PolarHBondContact NE2-O 3.42Å
34	I	98.9	Very high	94.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	150.6	-176.1	75.9	-176.2	0	0	0	111.3	M43 E44 I45 Y107 F121 A192 V195 P196 Y197	I34-M43 HydrophobicContact CB-CG 4.05Å; I34-M43 HydrophobicContact CB-SD 3.98Å; I34-M43 HydrophobicContact CD1-CE 4.27Å; I34-M43 HydrophobicContact CD1-CG 4.41Å; I34-M43 HydrophobicContact CD1-SD 4.03Å; I34-M43 HydrophobicContact CG1-SD 3.98Å; I34-E44 VanDerWaalsContact CA-O 3.23Å; I34-E44 WeakPolarHBondContact CA-O 3.2Å; I34-I45 HydrophobicContact CB-CD1 4.12Å; I34-I45 HydrophobicContact CG2-CD1 3.38Å; I34-Y107 VanDerWaalsContact CG2-OH 3.3Å; I34-Y107 WeakPolarHBondContact CG2-OH 3.21Å; I34-F121 HydrophobicContact CD1-CB 3.47Å; I34-F121 VanDerWaalsContact CD1-CB 3.47Å; I34-F121 HydrophobicContact CD1-CG 3.96Å; I34-A192 PolarHBondContact N-O 3.14Å; I34-V195 WeakPolarHBondContact CG1-O 3.43Å; I34-P196 WeakPolarHBondContact O-CA 3.31Å; I34-Y197 PolarHBondContact O-N 3.13Å
35	S	98.7	Very high	96.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	163.1	178.4	60.6	0	0	0	0	111.6	A37 E44 S218	S35-A37 PolarHBondContact O-N 2.79Å; S35-E44 PolarHBondContact N-O 3.16Å; S35-E44 PolarHBondContact O-N 2.87Å; S35-S218 VanDerWaalsContact CB-O 3.26Å; S35-S218 WeakPolarHBondContact CB-O 3.43Å; S35-S218 PolarHBondContact OG-O 2.7Å
36	Y	97.8	Very high	97.2	Very high	29 Å²	29	22.9 Å²	22.9	11%	0.114	14%	0.14	C	C	.	.			trans	-69	125.7	173	177.3	-117.2	0	0	0	110.5	G38 F39 L124 M198 P220 W230	Y36-G38 VanDerWaalsContact C-N 3.28Å; Y36-G38 VanDerWaalsContact CE1-C 3.44Å; Y36-G38 VanDerWaalsContact CZ-C 3.4Å; Y36-G38 PolarHBondContact O-N 2.93Å; Y36-G38 VanDerWaalsContact OH-C 3.28Å; Y36-G38 PolarHBondContact OH-O 3.41Å; Y36-F39 WeakPolarHBondContact CE2-O 3.38Å; Y36-F39 VanDerWaalsContact CZ-N 3.29Å; Y36-F39 WeakPolarHBondContact OH-CA 3.47Å; Y36-F39 PolarHBondContact OH-N 3.33Å; Y36-F39 VanDerWaalsContact OH-N 3.13Å; Y36-F39 PolarHBondContact OH-O 3.47Å; Y36-L124 HydrophobicContact CD2-CD1 3.59Å; Y36-L124 HydrophobicContact CE2-CD1 4.25Å; Y36-L124 HydrophobicContact CG-CD1 4.16Å; Y36-M198 PolarHBondContact N-SD 3.3Å; Y36-P220 HydrophobicContact CD1-CB 4.4Å; Y36-P220 HydrophobicContact CD1-CG 4.2Å; Y36-P220 WeakPolarHBondContact O-CD 3.1Å; Y36-W230 HydrophobicContact CD1-CB 3.76Å; Y36-W230 HydrophobicContact CD1-CD2 4.36Å; Y36-W230 AromaticContact CD1-CE3 3.93Å; Y36-W230 HydrophobicContact CD1-CE3 3.93Å; Y36-W230 HydrophobicContact CD1-CG 4.35Å; Y36-W230 HydrophobicContact CE1-CB 3.81Å; Y36-W230 HydrophobicContact CG-CE3 4.11Å
37	A	96.3	Very high	97.6	Very high	22 Å²	22	22.3 Å²	22.3	18%	0.182	13%	0.133	C	C	.	.			trans	-81.3	-3.3	-175	0	0	0	0	0	114.3	S35 F39 S42 E44 T95	S35-A37 PolarHBondContact O-N 2.79Å; A37-F39 HydrophobicContact CB-CE1 4.17Å; A37-S42 WeakPolarHBondContact CB-OG 3.38Å; A37-E44 HydrophobicContact CB-CB 4.06Å; A37-T95 HydrophobicContact CB-CG2 3.63Å
38	G	95.1	Very high	97.8	Very high	38 Å²	38	21.1 Å²	21.1	39%	0.392	13%	0.126	S	C	.	.	S	Bend	trans	107.2	-4.1	175.3	0	0	0	0	0	115.3	Y36 P220	Y36-G38 VanDerWaalsContact C-N 3.28Å; Y36-G38 VanDerWaalsContact CE1-C 3.44Å; Y36-G38 VanDerWaalsContact CZ-C 3.4Å; Y36-G38 PolarHBondContact O-N 2.93Å; Y36-G38 VanDerWaalsContact OH-C 3.28Å; Y36-G38 PolarHBondContact OH-O 3.41Å; G38-P220 VanDerWaalsContact CA-CB 3.43Å
39	F	95.6	Very high	97.9	Very high	97 Å²	97	17.2 Å²	17.2	43%	0.425	11%	0.108	S	C	.	.	S	Bend	trans	-141.6	158.3	176.7	57.5	-84	0	0	0	112.9	Y36 A37 S42 T95 T97	Y36-F39 WeakPolarHBondContact CE2-O 3.38Å; Y36-F39 VanDerWaalsContact CZ-N 3.29Å; Y36-F39 WeakPolarHBondContact OH-CA 3.47Å; Y36-F39 PolarHBondContact OH-N 3.33Å; Y36-F39 VanDerWaalsContact OH-N 3.13Å; Y36-F39 PolarHBondContact OH-O 3.47Å; A37-F39 HydrophobicContact CB-CE1 4.17Å; F39-S42 VanDerWaalsContact CE2-CB 3.42Å; F39-S42 WeakPolarHBondContact O-CB 3.44Å; F39-S42 PolarHBondContact O-N 2.91Å; F39-S42 PolarHBondContact O-OG 3.27Å; F39-T95 HydrophobicContact CE1-CG2 4.23Å; F39-T95 HydrophobicContact CZ-CG2 3.89Å; F39-T97 HydrophobicContact CE2-CG2 3.9Å; F39-T97 HydrophobicContact CZ-CG2 3.83Å
40	A	94.9	Very high	97.8	Very high	63 Å²	63	19.2 Å²	19.2	52%	0.521	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	147	-179.1	0	0	0	0	0	112.2	S42 E126	A40-S42 VanDerWaalsContact C-N 3.27Å; A40-S42 PolarHBondContact O-N 3.22Å; A40-E126 HydrophobicContact CB-CG 4.31Å; A40-E126 WeakPolarHBondContact CB-OE1 3.34Å
41	G	96.8	Very high	97.7	Very high	14 Å²	14	21.4 Å²	21.4	14%	0.144	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	24.1	179.5	0	0	0	0	0	114.9	T97 D98 L99 E126	G41-T97 CarbonylContact O-C 3.57Å; G41-D98 PolarHBondContact O-N 3.27Å; G41-D98 VanDerWaalsContact O-N 3.13Å; G41-L99 WeakPolarHBondContact O-CB 3.4Å; G41-L99 WeakPolarHBondContact O-CG 3.4Å; G41-L99 PolarHBondContact O-N 3.44Å; G41-E126 WeakPolarHBondContact CA-OE1 3.49Å; G41-E126 PolarHBondContact N-OE1 3.25Å
42	S	97.8	Very high	97.6	Very high	5 Å²	5	28 Å²	28	4%	0.035	16%	0.16	C	C	.	.			trans	-124.7	155.9	-176.3	76.8	0	0	0	0	114.6	A37 F39 A40 L96	A37-S42 WeakPolarHBondContact CB-OG 3.38Å; F39-S42 VanDerWaalsContact CE2-CB 3.42Å; F39-S42 WeakPolarHBondContact O-CB 3.44Å; F39-S42 PolarHBondContact O-N 2.91Å; F39-S42 PolarHBondContact O-OG 3.27Å; A40-S42 VanDerWaalsContact C-N 3.27Å; A40-S42 PolarHBondContact O-N 3.22Å; S42-L96 WeakPolarHBondContact CA-O 3.32Å; S42-L96 WeakPolarHBondContact CB-O 3.29Å
43	M	98.6	Very high	97.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	130.6	171.1	-168.3	65.9	70.7	0	0	108.7	I34 I45 L96 L99 F121 P196	I34-M43 HydrophobicContact CB-CG 4.05Å; I34-M43 HydrophobicContact CB-SD 3.98Å; I34-M43 HydrophobicContact CD1-CE 4.27Å; I34-M43 HydrophobicContact CD1-CG 4.41Å; I34-M43 HydrophobicContact CD1-SD 4.03Å; I34-M43 HydrophobicContact CG1-SD 3.98Å; M43-I45 HydrophobicContact CG-CD1 3.93Å; M43-L96 HydrophobicContact CB-CB 4.46Å; M43-L96 PolarHBondContact N-O 3Å; M43-L96 VanDerWaalsContact N-O 3.14Å; M43-L96 PolarHBondContact O-N 3.08Å; M43-L99 HydrophobicContact CB-CD1 3.76Å; M43-F121 HydrophobicContact CB-CE2 4.08Å; M43-F121 HydrophobicContact CB-CZ 4.22Å; M43-F121 HydrophobicContact CE-CD2 3.61Å; M43-F121 HydrophobicContact CE-CE2 3.87Å; M43-F121 HydrophobicContact CE-CG 4.49Å; M43-F121 HydrophobicContact CG-CD2 4.35Å; M43-F121 HydrophobicContact CG-CE2 4.11Å; M43-F121 HydrophobicContact CG-CZ 4.33Å; M43-P196 HydrophobicContact CE-CG 3.67Å; M43-P196 HydrophobicContact SD-CG 3.95Å
44	E	98.8	Very high	97.2	Very high	28 Å²	28	38.2 Å²	38.2	13%	0.131	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	127	171.3	-177	80.5	116.5	0	0	108.9	I34 S35 A37 V94 T95	I34-E44 VanDerWaalsContact CA-O 3.23Å; I34-E44 WeakPolarHBondContact CA-O 3.2Å; S35-E44 PolarHBondContact N-O 3.16Å; S35-E44 PolarHBondContact O-N 2.87Å; A37-E44 HydrophobicContact CB-CB 4.06Å; E44-V94 PolarHBondContact OE2-N 3.45Å; E44-T95 WeakPolarHBondContact OE2-CA 3.26Å; E44-T95 WeakPolarHBondContact OE2-CB 3.4Å; E44-T95 PolarHBondContact OE2-N 2.97Å; E44-T95 PolarHBondContact OE2-OG1 2.83Å
45	I	98.9	Very high	97.1	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	120.9	173.3	-47.9	-59.1	0	0	0	108	V32 I34 M43 W47 V58 R93 V94 L96 Y107 C109	V32-I45 HydrophobicContact CG1-CG2 4.47Å; I34-I45 HydrophobicContact CB-CD1 4.12Å; I34-I45 HydrophobicContact CG2-CD1 3.38Å; M43-I45 HydrophobicContact CG-CD1 3.93Å; I45-W47 HydrophobicContact CG2-CE3 4.25Å; I45-W47 HydrophobicContact CG2-CZ3 4.43Å; I45-V58 HydrophobicContact CB-CG2 3.97Å; I45-V58 HydrophobicContact CG1-CG1 4.44Å; I45-V58 HydrophobicContact CG1-CG2 4.13Å; I45-V58 HydrophobicContact CG2-CG2 4.07Å; I45-R93 WeakPolarHBondContact O-CA 3.3Å; I45-V94 PolarHBondContact N-O 3.4Å; I45-V94 PolarHBondContact O-N 2.82Å; I45-L96 HydrophobicContact CD1-CD1 4.19Å; I45-L96 HydrophobicContact CG1-CD1 4.05Å; I45-L96 HydrophobicContact CG1-CG 4.04Å; I45-Y107 HydrophobicContact CD1-CD2 4.39Å; I45-Y107 HydrophobicContact CD1-CE2 4.09Å; I45-Y107 HydrophobicContact CG1-CE2 4.46Å; I45-Y107 HydrophobicContact CG2-CD2 4.23Å; I45-Y107 HydrophobicContact CG2-CE2 3.64Å; I45-C109 HydrophobicContact CG2-CB 4.31Å
46	T	98.9	Very high	97.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.2	-180	-55	0	0	0	0	110.7	V32 H33 I91 H92 R93 S218	V32-T46 WeakPolarHBondContact CA-O 3.47Å; H33-T46 VanDerWaalsContact CE1-CB 3.49Å; H33-T46 WeakPolarHBondContact CE1-CB 3.45Å; H33-T46 WeakPolarHBondContact CE1-CG2 3.49Å; H33-T46 PolarHBondContact N-O 2.71Å; H33-T46 WeakPolarHBondContact NE2-CB 3.47Å; H33-T46 PolarHBondContact O-N 3.09Å; T46-I91 HydrophobicContact CG2-CG2 3.72Å; T46-H92 VanDerWaalsContact CA-O 3.23Å; T46-H92 WeakPolarHBondContact CA-O 3.31Å; T46-H92 WeakPolarHBondContact CG2-O 3.45Å; T46-R93 HydrophobicContact CG2-CG 4.23Å; T46-S218 WeakPolarHBondContact OG1-CB 3.39Å; T46-S218 PolarHBondContact OG1-OG 3.05Å
47	W	98.9	Very high	97.1	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	168.2	174.3	72.9	91.7	0	0	0	111.8	P29 V32 I45 V58 H92 V94 C109	P29-W47 HydrophobicContact CB-CG 4.16Å; V32-W47 HydrophobicContact CG2-CB 3.93Å; I45-W47 HydrophobicContact CG2-CE3 4.25Å; I45-W47 HydrophobicContact CG2-CZ3 4.43Å; W47-V58 HydrophobicContact CH2-CG2 4.32Å; W47-V58 HydrophobicContact CZ3-CG2 3.93Å; W47-H92 AromaticContact CD1-CD2 3.65Å; W47-H92 AromaticContact CD1-CG 3.95Å; W47-H92 HydrophobicContact CD2-CB 3.41Å; W47-H92 VanDerWaalsContact CD2-CB 3.41Å; W47-H92 AromaticContact CE2-CD2 3.88Å; W47-H92 AromaticContact CE2-CG 3.39Å; W47-H92 HydrophobicContact CE3-CB 3.75Å; W47-H92 HydrophobicContact CG-CB 3.99Å; W47-H92 HydrophobicContact CH2-CB 3.77Å; W47-H92 HydrophobicContact CZ2-CB 3.39Å; W47-H92 AromaticContact CZ2-CG 3.64Å; W47-H92 AromaticContact CZ2-ND1 3.87Å; W47-H92 HydrophobicContact CZ3-CB 3.92Å; W47-H92 PolarHBondContact N-O 2.78Å; W47-H92 VanDerWaalsContact N-O 3.15Å; W47-H92 AromaticContact NE1-CD2 3.28Å; W47-H92 PolarHBondContact NE1-CD2 3.36Å; W47-H92 VanDerWaalsContact NE1-CD2 3.28Å; W47-H92 AromaticContact NE1-CG 3.3Å; W47-H92 VanDerWaalsContact NE1-CG 3.3Å; W47-H92 AromaticContact NE1-ND1 3.96Å; W47-H92 AromaticContact NE1-NE2 3.98Å; W47-H92 PolarHBondContact O-N 3.49Å; W47-V94 HydrophobicContact CH2-CG2 3.46Å; W47-V94 VanDerWaalsContact CH2-CG2 3.46Å; W47-V94 HydrophobicContact CZ3-CB 4.18Å; W47-V94 HydrophobicContact CZ3-CG2 3.55Å; W47-C109 HydrophobicContact CD2-CB 3.93Å; W47-C109 HydrophobicContact CE3-CB 3.64Å; W47-C109 HydrophobicContact CH2-CB 3.97Å; W47-C109 HydrophobicContact CZ2-CB 4.27Å; W47-C109 HydrophobicContact CZ3-CB 3.67Å
48	T	98.7	Very high	97.3	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.012	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	141.7	-179.2	-57.2	0	0	0	0	111	E30 Q31 F50 M89 Y90 I91	E30-T48 PolarHBondContact N-O 2.85Å; E30-T48 VanDerWaalsContact N-O 3.15Å; E30-T48 PolarHBondContact O-N 3.2Å; Q31-T48 PolarHBondContact OE1-OG1 3.39Å; T48-F50 HydrophobicContact CG2-CE1 4.5Å; T48-F50 HydrophobicContact CG2-CZ 4.42Å; T48-M89 HydrophobicContact CG2-CB 4.17Å; T48-M89 HydrophobicContact CG2-CG 4.32Å; T48-Y90 WeakPolarHBondContact CA-O 3.35Å; T48-I91 HydrophobicContact CG2-CD1 4.08Å
49	T	98.4	Very high	97.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	161.8	158.3	70.2	0	0	0	0	109.8	G26 N51 T53 Y90 H92	G26-T49 WeakPolarHBondContact O-CB 3.41Å; T49-N51 PolarHBondContact OG1-O 3.48Å; T49-T53 HydrophobicContact CG2-CG2 4.45Å; T49-Y90 PolarHBondContact N-O 2.89Å; T49-Y90 PolarHBondContact O-N 3.09Å; T49-H92 PolarHBondContact OG1-NE2 3.4Å
50	F	97.1	Very high	97.6	Very high	52 Å²	52	37.3 Å²	37.3	23%	0.228	19%	0.193	C	C	.	.	S	Bend	trans	-103.1	-9.6	179.2	-63.7	-75.7	0	0	0	113.5	G26 E30 T48 M89	G26-F50 CarbonylContact O-C 3.36Å; G26-F50 PolarHBondContact O-N 2.88Å; E30-F50 HydrophobicContact CG-CE2 4.35Å; E30-F50 WeakPolarHBondContact OE1-CE2 3.43Å; T48-F50 HydrophobicContact CG2-CE1 4.5Å; T48-F50 HydrophobicContact CG2-CZ 4.42Å; F50-M89 HydrophobicContact CD1-CG 3.79Å; F50-M89 HydrophobicContact CE1-CG 3.64Å; F50-M89 HydrophobicContact CE1-SD 4.27Å
51	N	96	Very high	97.7	Very high	92 Å²	92	34.3 Å²	34.3	49%	0.492	17%	0.168	S	C	.	.	S	Bend	trans	-123.1	149.3	169.3	-72.4	16	0	0	0	109.8	G26 T27 T49 Y90	G26-N51 PolarHBondContact O-N 2.73Å; T27-N51 HydrophobicContact CG2-CB 3.8Å; T49-N51 PolarHBondContact OG1-O 3.48Å; N51-Y90 VanDerWaalsContact C-CD2 3.45Å
52	E	95.7	Very high	97.8	Very high	140 Å²	140	36.2 Å²	36.2	65%	0.654	18%	0.175	S	C	*	.			trans	-59.3	138.7	175.1	-161.8	164.3	178	0	0	111.2	Y90	E52-Y90 HydrophobicContact CB-CD1 4.13Å; E52-Y90 HydrophobicContact CB-CE1 3.5Å; E52-Y90 HydrophobicContact CB-CE2 4.11Å; E52-Y90 VanDerWaalsContact CB-CZ 3.49Å; E52-Y90 HydrophobicContact CG-CD1 4.08Å; E52-Y90 HydrophobicContact CG-CE1 3.55Å; E52-Y90 PolarHBondContact OE2-OH 2.73Å
53	T	96.1	Very high	97.7	Very high	17 Å²	17	43.9 Å²	43.9	10%	0.104	20%	0.203	C	C	.	.			trans	-116.4	151.4	168.9	65.3	0	0	0	0	109.4	T27 T49 E55 H92 A113	T27-T53 HydrophobicContact CG2-CG2 4Å; T49-T53 HydrophobicContact CG2-CG2 4.45Å; T53-E55 VanDerWaalsContact C-N 3.26Å; T53-E55 PolarHBondContact O-N 2.96Å; T53-E55 PolarHBondContact OG1-O 2.92Å; T53-H92 PolarHBondContact OG1-CE1 3.01Å; T53-A113 HydrophobicContact CG2-CB 4.4Å
54	E	93.6	Very high	97.4	Very high	202 Å²	202	47.7 Å²	47.7	94%	0.944	24%	0.243	S	C	*	.	S	Bend	trans	-67	-30.5	179.2	-64.2	-172.8	168.7	0	0	112.3
55	E	96.4	Very high	97.2	Very high	79 Å²	79	48.4 Å²	48.4	37%	0.369	26%	0.258	S	S	.	.			trans	-132.7	155.8	-175.7	-56.6	-159.9	155.4	0	0	112.3	T53 T57 K73	T53-E55 VanDerWaalsContact C-N 3.26Å; T53-E55 PolarHBondContact O-N 2.96Å; T53-E55 PolarHBondContact OG1-O 2.92Å; E55-T57 PolarHBondContact OE2-OG1 2.86Å; E55-K73 IonicContact OE1-NZ 2.78Å; E55-K73 PolarHBondContact OE1-NZ 3.39Å; E55-K73 IonicContact OE2-NZ 3.37Å; E55-K73 PolarHBondContact OE2-NZ 3.35Å
56	S	98.6	Very high	96.9	Very high	7 Å²	7	57.7 Å²	57.7	5%	0.049	29%	0.293	C	S	.	.			trans	-122.1	98.6	167.8	-49.3	0	0	0	0	107.4	K73 G74 A76 H92 V94	S56-K73 WeakPolarHBondContact O-CA 3.29Å; S56-G74 PolarHBondContact O-N 2.82Å; S56-A76 PolarHBondContact OG-N 2.7Å; S56-H92 PolarHBondContact OG-ND1 3.47Å; S56-V94 WeakPolarHBondContact O-CG2 3.39Å
57	T	98.8	Very high	96.6	Very high	6 Å²	6	62.9 Å²	62.9	4%	0.037	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138	-170.3	-61.8	0	0	0	0	110.5	E55 E59 T71 A72 C109 G110 W115	E55-T57 PolarHBondContact OE2-OG1 2.86Å; T57-E59 HydrophobicContact CG2-CG 4.29Å; T57-T71 HydrophobicContact CG2-CG2 3.5Å; T57-T71 VanDerWaalsContact CG2-CG2 3.5Å; T57-A72 WeakPolarHBondContact CA-O 3.29Å; T57-C109 CarbonylContact O-C 3.57Å; T57-C109 WeakPolarHBondContact O-CA 3.44Å; T57-G110 PolarHBondContact N-O 3.17Å; T57-G110 PolarHBondContact O-N 2.88Å; T57-W115 HydrophobicContact CG2-CH2 3.87Å; T57-W115 HydrophobicContact CG2-CZ3 4.39Å
58	V	98.9	Very high	96.4	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125.9	166.6	176.8	0	0	0	0	107.6	I45 W47 Y60 T71 A72 V94 L96 Y107 H108 C109	I45-V58 HydrophobicContact CB-CG2 3.97Å; I45-V58 HydrophobicContact CG1-CG1 4.44Å; I45-V58 HydrophobicContact CG1-CG2 4.13Å; I45-V58 HydrophobicContact CG2-CG2 4.07Å; W47-V58 HydrophobicContact CH2-CG2 4.32Å; W47-V58 HydrophobicContact CZ3-CG2 3.93Å; V58-Y60 HydrophobicContact CG1-CD1 4.28Å; V58-T71 CarbonylContact O-C 3.6Å; V58-T71 WeakPolarHBondContact O-CA 3.38Å; V58-A72 PolarHBondContact N-O 3.41Å; V58-A72 PolarHBondContact O-N 3.26Å; V58-V94 HydrophobicContact CB-CB 4.46Å; V58-V94 HydrophobicContact CB-CG1 4Å; V58-V94 HydrophobicContact CG2-CB 3.6Å; V58-V94 HydrophobicContact CG2-CG1 3.69Å; V58-V94 HydrophobicContact CG2-CG2 3.96Å; V58-L96 HydrophobicContact CB-CD2 4.12Å; V58-L96 HydrophobicContact CG1-CD1 4.45Å; V58-L96 HydrophobicContact CG1-CD2 3.93Å; V58-Y107 HydrophobicContact CG1-CD2 4.14Å; V58-H108 WeakPolarHBondContact CA-O 3.46Å; V58-C109 HydrophobicContact CG2-CB 3.91Å
59	E	98.8	Very high	96.3	Very high	54 Å²	54	69.9 Å²	69.9	25%	0.252	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	136.9	166	-44.7	-179	142.2	0	0	109	T57 F68 L70 T71 Y107 H108 W115	T57-E59 HydrophobicContact CG2-CG 4.29Å; E59-F68 HydrophobicContact CB-CB 3.78Å; E59-F68 HydrophobicContact CB-CD1 4.16Å; E59-F68 HydrophobicContact CB-CG 4.15Å; E59-F68 WeakPolarHBondContact O-CD1 3.34Å; E59-L70 CarbonylContact C-O 3.56Å; E59-L70 WeakPolarHBondContact CA-O 3.29Å; E59-T71 HydrophobicContact CG-CG2 4.41Å; E59-Y107 VanDerWaalsContact O-CA 3.27Å; E59-Y107 WeakPolarHBondContact O-CA 3.04Å; E59-H108 PolarHBondContact N-O 2.96Å; E59-H108 VanDerWaalsContact N-O 3.09Å; E59-H108 PolarHBondContact O-CD2 3.49Å; E59-H108 PolarHBondContact O-N 3.48Å; E59-H108 IonicContact OE2-CD2 3.51Å; E59-H108 IonicContact OE2-CE1 3.71Å; E59-H108 IonicContact OE2-NE2 3.91Å; E59-H108 PolarHBondContact OE2-NE2 3.38Å; E59-W115 HydrophobicContact CG-CH2 3.8Å; E59-W115 HydrophobicContact CG-CZ3 4Å
60	Y	98.7	Very high	96.3	Very high	20 Å²	20	73 Å²	73	8%	0.078	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	167	-171.1	67.8	-71.1	0	0	0	111.5	V58 F68 E69 L70 A72 L96 L99 Y105 V106	V58-Y60 HydrophobicContact CG1-CD1 4.28Å; Y60-F68 CarbonylContact O-C 3.52Å; Y60-F68 WeakPolarHBondContact O-CA 3.44Å; Y60-E69 PolarHBondContact O-N 3.15Å; Y60-L70 HydrophobicContact CD1-CB 3.81Å; Y60-L70 HydrophobicContact CD2-CB 4.13Å; Y60-L70 HydrophobicContact CD2-CD1 3.98Å; Y60-L70 HydrophobicContact CE1-CB 3.48Å; Y60-L70 VanDerWaalsContact CE1-CB 3.48Å; Y60-L70 HydrophobicContact CE2-CB 3.82Å; Y60-L70 HydrophobicContact CE2-CD1 3.41Å; Y60-L70 VanDerWaalsContact CE2-CD1 3.41Å; Y60-L70 HydrophobicContact CE2-CG 4.25Å; Y60-L70 HydrophobicContact CG-CB 4.11Å; Y60-L70 VanDerWaalsContact CZ-CB 3.48Å; Y60-L70 PolarHBondContact N-O 2.93Å; Y60-L70 WeakPolarHBondContact O-CB 3.24Å; Y60-L70 PolarHBondContact O-N 3.42Å; Y60-A72 HydrophobicContact CE1-CB 4.14Å; Y60-L96 HydrophobicContact CD1-CD1 4.45Å; Y60-L96 HydrophobicContact CD1-CD2 3.87Å; Y60-L96 HydrophobicContact CD2-CD1 4.09Å; Y60-L96 HydrophobicContact CE1-CD2 3.7Å; Y60-L96 HydrophobicContact CE2-CD1 4.36Å; Y60-L96 HydrophobicContact CG-CD1 4.15Å; Y60-L96 HydrophobicContact CG-CD2 4.4Å; Y60-L99 HydrophobicContact CD2-CD2 4.39Å; Y60-L99 HydrophobicContact CE2-CD2 3.86Å; Y60-Y105 AromaticContact CD2-CD1 3.78Å; Y60-Y105 HydrophobicContact CD2-CD1 3.78Å; Y60-Y105 HydrophobicContact CD2-CE1 4.11Å; Y60-Y105 HydrophobicContact CE2-CD1 4.36Å; Y60-Y105 HydrophobicContact CE2-CE1 4.24Å; Y60-V106 CarbonylContact C-O 3.47Å; Y60-V106 WeakPolarHBondContact CA-O 3.37Å; Y60-V106 WeakPolarHBondContact CB-O 3.38Å
61	G	98.2	Very high	96.4	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	162.9	178.1	0	0	0	0	0	111.6	Y105 V106	G61-Y105 CarbonylContact O-C 3.58Å; G61-Y105 VanDerWaalsContact O-CA 3.28Å; G61-Y105 WeakPolarHBondContact O-CA 3.42Å; G61-Y105 WeakPolarHBondContact O-CD1 3.44Å; G61-V106 PolarHBondContact N-O 3.31Å; G61-V106 PolarHBondContact O-N 2.97Å
62	L	97.9	Very high	96.5	Very high	55 Å²	55	70.8 Å²	70.8	29%	0.288	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	136.9	175.8	-77	168	0	0	0	110.4	G64 G65 Y105	L62-G64 PolarHBondContact O-N 3.15Å; L62-G65 WeakPolarHBondContact O-CA 3.42Å; L62-G65 PolarHBondContact O-N 3.09Å; L62-Y105 HydrophobicContact CD2-CD1 4.3Å; L62-Y105 HydrophobicContact CD2-CD2 4.43Å; L62-Y105 HydrophobicContact CD2-CE1 3.73Å; L62-Y105 HydrophobicContact CD2-CE2 3.86Å; L62-Y105 VanDerWaalsContact CD2-CZ 3.48Å; L62-Y105 HydrophobicContact CG-CE1 3.94Å
63	W	95.1	Very high	96.6	Very high	165 Å²	165	70.4 Å²	70.4	63%	0.625	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	130	175.6	-173.9	-78.8	0	0	0	110.8	G65 A104 V106	W63-G65 PolarHBondContact O-N 2.87Å; W63-A104 HydrophobicContact CB-CB 3.72Å; W63-A104 WeakPolarHBondContact CB-O 3.45Å; W63-A104 HydrophobicContact CG-CB 4.31Å; W63-A104 PolarHBondContact N-O 3.23Å; W63-V106 HydrophobicContact CD2-CG1 4.08Å; W63-V106 HydrophobicContact CE3-CG1 3.18Å; W63-V106 HydrophobicContact CZ3-CG1 3.48Å; W63-V106 VanDerWaalsContact CZ3-CG1 3.48Å
64	G	93.6	Very high	96.7	Very high	80 Å²	80	71 Å²	71	83%	0.825	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-2.6	-175.1	0	0	0	0	0	115	L62	L62-G64 PolarHBondContact O-N 3.15Å
65	G	93.4	Very high	96.9	Very high	43 Å²	43	69.4 Å²	69.4	44%	0.443	36%	0.36	S	S	.	.	S	Bend	trans	-88.7	-160.7	170.5	0	0	0	0	0	112.9	L62 W63 L67	L62-G65 WeakPolarHBondContact O-CA 3.42Å; L62-G65 PolarHBondContact O-N 3.09Å; W63-G65 PolarHBondContact O-N 2.87Å; G65-L67 PolarHBondContact O-N 3.03Å
66	R	93.3	Very high	97	Very high	195 Å²	195	67.5 Å²	67.5	74%	0.736	36%	0.358	S	S	*	.			trans	-72.8	125.1	170.7	-177.7	178.5	179.4	179.5	-1.6	108.7	F68 E69	R66-F68 PolarHBondContact O-N 3.39Å; R66-E69 HydrophobicContact CB-CB 4.26Å; R66-E69 HydrophobicContact CG-CB 4.37Å
67	L	92.9	Very high	96.9	Very high	109 Å²	109	70.1 Å²	70.1	57%	0.571	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	134.8	176.3	-61.7	179.7	0	0	0	110.2	G65 E69 V106	G65-L67 PolarHBondContact O-N 3.03Å; L67-E69 VanDerWaalsContact C-N 3.29Å; L67-E69 PolarHBondContact O-N 3.15Å; L67-V106 HydrophobicContact CD2-CG2 3.66Å
68	F	94.4	Very high	96.9	Very high	54 Å²	54	74 Å²	74	24%	0.237	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	38.6	170.1	-47.2	-44.7	0	0	0	113.7	E59 Y60 R66 L70 H108 V118	E59-F68 HydrophobicContact CB-CB 3.78Å; E59-F68 HydrophobicContact CB-CD1 4.16Å; E59-F68 HydrophobicContact CB-CG 4.15Å; E59-F68 WeakPolarHBondContact O-CD1 3.34Å; Y60-F68 CarbonylContact O-C 3.52Å; Y60-F68 WeakPolarHBondContact O-CA 3.44Å; R66-F68 PolarHBondContact O-N 3.39Å; F68-L70 VanDerWaalsContact C-N 3.31Å; F68-H108 AromaticContact CD1-CD2 3.61Å; F68-H108 AromaticContact CD1-NE2 3.98Å; F68-H108 AromaticContact CD2-NE2 3.93Å; F68-H108 HydrophobicContact CE1-CB 4.49Å; F68-H108 AromaticContact CE1-CD2 3.47Å; F68-H108 VanDerWaalsContact CE1-CD2 3.47Å; F68-H108 WeakPolarHBondContact CE1-CD2 3.33Å; F68-H108 AromaticContact CG-NE2 3.9Å; F68-H108 AromaticContact CZ-CD2 3.75Å; F68-V118 HydrophobicContact CE1-CG1 4.42Å; F68-V118 HydrophobicContact CZ-CG1 4.01Å; F68-V118 HydrophobicContact CZ-CG2 3.87Å
69	E	96.6	Very high	96.9	Very high	97 Å²	97	74.2 Å²	74.2	45%	0.453	40%	0.395	S	S	.	.			trans	-76.7	-19.4	177.4	76	-174.3	164.3	0	0	113.4	Y60 R66 L67	Y60-E69 PolarHBondContact O-N 3.15Å; R66-E69 HydrophobicContact CB-CB 4.26Å; R66-E69 HydrophobicContact CG-CB 4.37Å; L67-E69 VanDerWaalsContact C-N 3.29Å; L67-E69 PolarHBondContact O-N 3.15Å
70	L	98.1	Very high	96.9	Very high	67 Å²	67	75.2 Å²	75.2	35%	0.351	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	149.4	178.1	-55.1	174.9	0	0	0	110	E59 Y60 F68 Y105	E59-L70 CarbonylContact C-O 3.56Å; E59-L70 WeakPolarHBondContact CA-O 3.29Å; Y60-L70 HydrophobicContact CD1-CB 3.81Å; Y60-L70 HydrophobicContact CD2-CB 4.13Å; Y60-L70 HydrophobicContact CD2-CD1 3.98Å; Y60-L70 HydrophobicContact CE1-CB 3.48Å; Y60-L70 VanDerWaalsContact CE1-CB 3.48Å; Y60-L70 HydrophobicContact CE2-CB 3.82Å; Y60-L70 HydrophobicContact CE2-CD1 3.41Å; Y60-L70 VanDerWaalsContact CE2-CD1 3.41Å; Y60-L70 HydrophobicContact CE2-CG 4.25Å; Y60-L70 HydrophobicContact CG-CB 4.11Å; Y60-L70 VanDerWaalsContact CZ-CB 3.48Å; Y60-L70 PolarHBondContact N-O 2.93Å; Y60-L70 WeakPolarHBondContact O-CB 3.24Å; Y60-L70 PolarHBondContact O-N 3.42Å; F68-L70 VanDerWaalsContact C-N 3.31Å; L70-Y105 HydrophobicContact CD1-CE1 4.49Å
71	T	98.3	Very high	96.8	Very high	81 Å²	81	74.4 Å²	74.4	50%	0.497	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	137.1	177.4	-50.7	0	0	0	0	109.5	T57 V58 E59	T57-T71 HydrophobicContact CG2-CG2 3.5Å; T57-T71 VanDerWaalsContact CG2-CG2 3.5Å; V58-T71 CarbonylContact O-C 3.6Å; V58-T71 WeakPolarHBondContact O-CA 3.38Å; E59-T71 HydrophobicContact CG-CG2 4.41Å
72	A	98.8	Very high	96.8	Very high	15 Å²	15	76.3 Å²	76.3	12%	0.124	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	145.1	170	0	0	0	0	0	109.5	T57 V58 Y60 V94 L96	T57-A72 WeakPolarHBondContact CA-O 3.29Å; V58-A72 PolarHBondContact N-O 3.41Å; V58-A72 PolarHBondContact O-N 3.26Å; Y60-A72 HydrophobicContact CE1-CB 4.14Å; A72-V94 HydrophobicContact CB-CG1 3.6Å; A72-L96 HydrophobicContact CB-CD2 3.55Å
73	K	98.6	Very high	96.7	Very high	132 Å²	132	74.1 Å²	74.1	57%	0.574	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.6	144.5	175.1	-63.5	-164.2	-179.7	-157.5	0	109.7	E55 S56	E55-K73 IonicContact OE1-NZ 2.78Å; E55-K73 PolarHBondContact OE1-NZ 3.39Å; E55-K73 IonicContact OE2-NZ 3.37Å; E55-K73 PolarHBondContact OE2-NZ 3.35Å; S56-K73 WeakPolarHBondContact O-CA 3.29Å
74	G	98.1	Very high	96.8	Very high	31 Å²	31	72.1 Å²	72.1	32%	0.32	42%	0.423	S	S	.	.			trans	-138.1	-143.5	178.1	0	0	0	0	0	111.5	S56 R93	S56-G74 PolarHBondContact O-N 2.82Å; G74-R93 VanDerWaalsContact CA-O 3.29Å; G74-R93 WeakPolarHBondContact CA-O 3.21Å
75	K	97.4	Very high	97	Very high	167 Å²	167	73.2 Å²	73.2	73%	0.726	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.8	152	-172.5	-61.7	-179.7	-175.8	174.4	0	111.5	H92 R93	K75-H92 WeakPolarHBondContact O-CA 3.32Å; K75-R93 PolarHBondContact N-O 3.29Å; K75-R93 PolarHBondContact O-N 2.97Å
76	A	98.1	Very high	97.2	Very high	40 Å²	40	72.4 Å²	72.4	33%	0.331	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	141.1	166.4	0	0	0	0	0	110.1	S56 I91	S56-A76 PolarHBondContact OG-N 2.7Å; A76-I91 CarbonylContact C-O 3.53Å; A76-I91 WeakPolarHBondContact CA-O 3.23Å
77	T	97.8	Very high	97.4	Very high	61 Å²	61	65 Å²	65	37%	0.374	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.3	168.6	53	0	0	0	0	109.4	F79 I91 R93	T77-F79 PolarHBondContact O-N 3.33Å; T77-I91 PolarHBondContact N-O 3.24Å; T77-I91 PolarHBondContact O-N 2.91Å; T77-I91 PolarHBondContact OG1-O 3.09Å; T77-R93 PolarHBondContact OG1-NH1 3.27Å; T77-R93 VanDerWaalsContact OG1-NH1 3.14Å
78	L	98.3	Very high	97.6	Very high	87 Å²	87	65.8 Å²	65.8	46%	0.455	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	116.7	171.6	174.8	65.1	0	0	0	109.3	V80 K88 Y90	L78-V80 HydrophobicContact CD1-CG2 4.36Å; L78-V80 HydrophobicContact CD2-CG2 4.13Å; L78-V80 HydrophobicContact CG-CG2 4Å; L78-K88 HydrophobicContact CD1-CB 3.83Å; L78-K88 HydrophobicContact CD1-CD 4.23Å; L78-K88 HydrophobicContact CD1-CG 4.09Å; L78-Y90 HydrophobicContact CB-CE1 4.38Å; L78-Y90 HydrophobicContact CD1-CD1 4.49Å; L78-Y90 HydrophobicContact CD1-CE1 4.09Å; L78-Y90 HydrophobicContact CD1-CE2 4.17Å
79	F	98.1	Very high	97.8	Very high	6 Å²	6	63.2 Å²	63.2	3%	0.026	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	126.8	167.2	173.2	-140	0	0	0	108.9	T77 D81 K88 M89 I91 N212 N215	T77-F79 PolarHBondContact O-N 3.33Å; F79-D81 HydrophobicContact CZ-CB 4.46Å; F79-K88 WeakPolarHBondContact O-CA 3.46Å; F79-M89 HydrophobicContact CB-CB 4.47Å; F79-M89 HydrophobicContact CD1-CB 4.39Å; F79-M89 HydrophobicContact CD1-CE 3.41Å; F79-M89 VanDerWaalsContact CD1-CE 3.41Å; F79-M89 HydrophobicContact CD1-SD 4.16Å; F79-M89 HydrophobicContact CE1-CE 3.4Å; F79-M89 HydrophobicContact CE1-SD 4.35Å; F79-M89 HydrophobicContact CG-CE 4.32Å; F79-M89 HydrophobicContact CZ-CE 4.29Å; F79-M89 PolarHBondContact N-O 3.29Å; F79-M89 PolarHBondContact O-N 3.14Å; F79-I91 HydrophobicContact CB-CG1 4.07Å; F79-N212 WeakPolarHBondContact CE1-OD1 3.29Å; F79-N212 HydrophobicContact CZ-CB 4.45Å; F79-N215 HydrophobicContact CB-CB 4.06Å; F79-N215 HydrophobicContact CD1-CB 3.87Å; F79-N215 HydrophobicContact CD2-CB 3.85Å; F79-N215 WeakPolarHBondContact CD2-ND2 3.39Å; F79-N215 HydrophobicContact CE1-CB 4.3Å; F79-N215 HydrophobicContact CE2-CB 4.31Å; F79-N215 HydrophobicContact CG-CB 3.65Å
80	V	98.3	Very high	97.9	Very high	74 Å²	74	60.1 Å²	60.1	45%	0.448	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	114.3	173.5	-174.1	0	0	0	0	107.2	L78 R87 K88	L78-V80 HydrophobicContact CD1-CG2 4.36Å; L78-V80 HydrophobicContact CD2-CG2 4.13Å; L78-V80 HydrophobicContact CG-CG2 4Å; V80-R87 WeakPolarHBondContact CA-O 3.4Å; V80-K88 HydrophobicContact CG2-CG 4.36Å
81	D	97.9	Very high	97.9	Very high	3 Å²	3	57 Å²	57	2%	0.016	33%	0.326	C	S	.	.			trans	-62.9	145	177.5	-177.3	-104.6	0	0	0	110.9	F79 G83 R87 M89 N177 N212	F79-D81 HydrophobicContact CZ-CB 4.46Å; D81-G83 PolarHBondContact O-N 2.98Å; D81-G83 WeakPolarHBondContact OD1-CA 3.28Å; D81-G83 PolarHBondContact OD1-N 2.73Å; D81-R87 HydrophobicContact CB-CB 4.38Å; D81-R87 PolarHBondContact N-O 2.81Å; D81-M89 HydrophobicContact CB-CE 3.86Å; D81-N177 WeakPolarHBondContact OD1-CA 3.43Å; D81-N212 PolarHBondContact OD2-ND2 3.08Å
82	G	97	Very high	97.9	Very high	41 Å²	41	53.1 Å²	53.1	42%	0.423	30%	0.302	S	S	.	.	S	Bend	trans	-76	-8	-177.9	0	0	0	0	0	114.6	Y208	G82-Y208 VanDerWaalsContact C-CE2 3.45Å; G82-Y208 VanDerWaalsContact CA-CE2 3.45Å
83	G	96.9	Very high	97.9	Very high	9 Å²	9	54.9 Å²	54.9	9%	0.093	31%	0.305	C	S	.	.	S	Bend	trans	-63	162.7	176.4	0	0	0	0	0	113.3	D81 E85 G86	D81-G83 PolarHBondContact O-N 2.98Å; D81-G83 WeakPolarHBondContact OD1-CA 3.28Å; D81-G83 PolarHBondContact OD1-N 2.73Å; G83-E85 PolarHBondContact O-N 3.04Å; G83-G86 PolarHBondContact O-N 3.45Å
84	S	97.4	Very high	97.9	Very high	122 Å²	122	48.6 Å²	48.6	85%	0.853	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-27.8	-176.9	63.4	0	0	0	0	115.6	G86 N177	S84-G86 VanDerWaalsContact C-N 3.34Å; S84-N177 PolarHBondContact N-OD1 2.51Å; S84-N177 PolarHBondContact OG-OD1 2.74Å; S84-N177 VanDerWaalsContact OG-OD1 3.08Å
85	E	97.7	Very high	98	Very high	104 Å²	104	49.5 Å²	49.5	49%	0.486	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-18	177.3	-70.6	-175.6	-142.8	0	0	113.2	G83 R87 N177 R179	G83-E85 PolarHBondContact O-N 3.04Å; E85-R87 VanDerWaalsContact C-N 3.28Å; E85-R87 HydrophobicContact CB-CG 3.93Å; E85-R87 PolarHBondContact O-N 3.04Å; E85-N177 HydrophobicContact CB-CB 4.08Å; E85-N177 HydrophobicContact CG-CB 4.32Å; E85-N177 PolarHBondContact N-OD1 2.59Å; E85-N177 PolarHBondContact OE1-ND2 2.6Å; E85-R179 IonicContact OE1-CZ 3.39Å; E85-R179 IonicContact OE1-NH1 3.3Å; E85-R179 PolarHBondContact OE1-NH1 3.17Å; E85-R179 IonicContact OE1-NH2 2.71Å; E85-R179 PolarHBondContact OE1-NH2 3.42Å; E85-R179 IonicContact OE2-CZ 3.86Å; E85-R179 IonicContact OE2-NH1 2.7Å; E85-R179 PolarHBondContact OE2-NH1 3.13Å; E85-R179 IonicContact OE2-NH2 3.7Å; E85-R179 PolarHBondContact OE2-NH2 3.06Å
86	G	97	Very high	98	Very high	26 Å²	26	41.6 Å²	41.6	27%	0.268	24%	0.243	S	C	.	.			trans	54.8	44.2	-175.3	0	0	0	0	0	112	G83 S84 K88	G83-G86 PolarHBondContact O-N 3.45Å; S84-G86 VanDerWaalsContact C-N 3.34Å; G86-K88 PolarHBondContact O-N 3Å
87	R	97.3	Very high	98	Very high	39 Å²	39	42.3 Å²	42.3	15%	0.147	24%	0.244	C	C	.	.			trans	-58.3	133.3	-173.4	-79.1	-175.5	59.6	-126.3	6	110.3	V80 D81 E85 N177 D182	V80-R87 WeakPolarHBondContact CA-O 3.4Å; D81-R87 HydrophobicContact CB-CB 4.38Å; D81-R87 PolarHBondContact N-O 2.81Å; E85-R87 VanDerWaalsContact C-N 3.28Å; E85-R87 HydrophobicContact CB-CG 3.93Å; E85-R87 PolarHBondContact O-N 3.04Å; R87-N177 VanDerWaalsContact CD-O 3.29Å; R87-N177 WeakPolarHBondContact CD-O 3.29Å; R87-N177 HydrophobicContact CG-CB 4.36Å; R87-N177 PolarHBondContact NH1-O 2.82Å; R87-D182 IonicContact CZ-OD2 3.49Å; R87-D182 VanDerWaalsContact CZ-OD2 3.3Å; R87-D182 IonicContact NH1-OD2 3.06Å; R87-D182 PolarHBondContact NH1-OD2 2.89Å; R87-D182 IonicContact NH2-OD2 3.26Å; R87-D182 PolarHBondContact NH2-OD2 3.06Å
88	K	97.5	Very high	98	Very high	125 Å²	125	46.6 Å²	46.6	54%	0.543	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.6	179.6	-65.4	-175.2	-178	179.6	0	110	L78 F79 V80 G86	L78-K88 HydrophobicContact CD1-CB 3.83Å; L78-K88 HydrophobicContact CD1-CD 4.23Å; L78-K88 HydrophobicContact CD1-CG 4.09Å; F79-K88 WeakPolarHBondContact O-CA 3.46Å; V80-K88 HydrophobicContact CG2-CG 4.36Å; G86-K88 PolarHBondContact O-N 3Å
89	M	98	Very high	98	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.1	174.8	-69.9	162.2	-78.8	0	0	108.2	T48 F50 F79 D81 I91 R216	T48-M89 HydrophobicContact CG2-CB 4.17Å; T48-M89 HydrophobicContact CG2-CG 4.32Å; F50-M89 HydrophobicContact CD1-CG 3.79Å; F50-M89 HydrophobicContact CE1-CG 3.64Å; F50-M89 HydrophobicContact CE1-SD 4.27Å; F79-M89 HydrophobicContact CB-CB 4.47Å; F79-M89 HydrophobicContact CD1-CB 4.39Å; F79-M89 HydrophobicContact CD1-CE 3.41Å; F79-M89 VanDerWaalsContact CD1-CE 3.41Å; F79-M89 HydrophobicContact CD1-SD 4.16Å; F79-M89 HydrophobicContact CE1-CE 3.4Å; F79-M89 HydrophobicContact CE1-SD 4.35Å; F79-M89 HydrophobicContact CG-CE 4.32Å; F79-M89 HydrophobicContact CZ-CE 4.29Å; F79-M89 PolarHBondContact N-O 3.29Å; F79-M89 PolarHBondContact O-N 3.14Å; D81-M89 HydrophobicContact CB-CE 3.86Å; M89-I91 HydrophobicContact CB-CD1 4.29Å; M89-R216 PolarHBondContact SD-NH2 2.79Å; M89-R216 VanDerWaalsContact SD-NH2 3.35Å
90	Y	98.5	Very high	98	Very high	32 Å²	32	50.3 Å²	50.3	13%	0.125	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	113.2	174.6	-65	-98.3	0	0	0	107.1	T48 T49 N51 E52 L78 H92	T48-Y90 WeakPolarHBondContact CA-O 3.35Å; T49-Y90 PolarHBondContact N-O 2.89Å; T49-Y90 PolarHBondContact O-N 3.09Å; N51-Y90 VanDerWaalsContact C-CD2 3.45Å; E52-Y90 HydrophobicContact CB-CD1 4.13Å; E52-Y90 HydrophobicContact CB-CE1 3.5Å; E52-Y90 HydrophobicContact CB-CE2 4.11Å; E52-Y90 VanDerWaalsContact CB-CZ 3.49Å; E52-Y90 HydrophobicContact CG-CD1 4.08Å; E52-Y90 HydrophobicContact CG-CE1 3.55Å; E52-Y90 PolarHBondContact OE2-OH 2.73Å; L78-Y90 HydrophobicContact CB-CE1 4.38Å; L78-Y90 HydrophobicContact CD1-CD1 4.49Å; L78-Y90 HydrophobicContact CD1-CE1 4.09Å; L78-Y90 HydrophobicContact CD1-CE2 4.17Å; Y90-H92 PolarHBondContact O-CD2 2.94Å; Y90-H92 VanDerWaalsContact O-CD2 3.23Å
91	I	98.7	Very high	97.9	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	114.1	179.4	-46.2	-59.5	0	0	0	108.3	T46 T48 A76 T77 F79 M89 N215	T46-I91 HydrophobicContact CG2-CG2 3.72Å; T48-I91 HydrophobicContact CG2-CD1 4.08Å; A76-I91 CarbonylContact C-O 3.53Å; A76-I91 WeakPolarHBondContact CA-O 3.23Å; T77-I91 PolarHBondContact N-O 3.24Å; T77-I91 PolarHBondContact O-N 2.91Å; T77-I91 PolarHBondContact OG1-O 3.09Å; F79-I91 HydrophobicContact CB-CG1 4.07Å; M89-I91 HydrophobicContact CB-CD1 4.29Å; I91-N215 WeakPolarHBondContact CG2-O 3.48Å
92	H	98.8	Very high	97.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	137	-178.3	-61.6	-93.3	0	0	0	110.1	T46 W47 T49 T53 S56 K75 Y90	T46-H92 VanDerWaalsContact CA-O 3.23Å; T46-H92 WeakPolarHBondContact CA-O 3.31Å; T46-H92 WeakPolarHBondContact CG2-O 3.45Å; W47-H92 AromaticContact CD1-CD2 3.65Å; W47-H92 AromaticContact CD1-CG 3.95Å; W47-H92 HydrophobicContact CD2-CB 3.41Å; W47-H92 VanDerWaalsContact CD2-CB 3.41Å; W47-H92 AromaticContact CE2-CD2 3.88Å; W47-H92 AromaticContact CE2-CG 3.39Å; W47-H92 HydrophobicContact CE3-CB 3.75Å; W47-H92 HydrophobicContact CG-CB 3.99Å; W47-H92 HydrophobicContact CH2-CB 3.77Å; W47-H92 HydrophobicContact CZ2-CB 3.39Å; W47-H92 AromaticContact CZ2-CG 3.64Å; W47-H92 AromaticContact CZ2-ND1 3.87Å; W47-H92 HydrophobicContact CZ3-CB 3.92Å; W47-H92 PolarHBondContact N-O 2.78Å; W47-H92 VanDerWaalsContact N-O 3.15Å; W47-H92 AromaticContact NE1-CD2 3.28Å; W47-H92 PolarHBondContact NE1-CD2 3.36Å; W47-H92 VanDerWaalsContact NE1-CD2 3.28Å; W47-H92 AromaticContact NE1-CG 3.3Å; W47-H92 VanDerWaalsContact NE1-CG 3.3Å; W47-H92 AromaticContact NE1-ND1 3.96Å; W47-H92 AromaticContact NE1-NE2 3.98Å; W47-H92 PolarHBondContact O-N 3.49Å; T49-H92 PolarHBondContact OG1-NE2 3.4Å; T53-H92 PolarHBondContact OG1-CE1 3.01Å; S56-H92 PolarHBondContact OG-ND1 3.47Å; K75-H92 WeakPolarHBondContact O-CA 3.32Å; Y90-H92 PolarHBondContact O-CD2 2.94Å; Y90-H92 VanDerWaalsContact O-CD2 3.23Å
93	R	98.8	Very high	97.9	Very high	52 Å²	52	50.5 Å²	50.5	20%	0.196	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	125.4	176.6	-66.9	177	177.3	77.7	1	109.9	I45 T46 G74 K75 T77 N215 S218	I45-R93 WeakPolarHBondContact O-CA 3.3Å; T46-R93 HydrophobicContact CG2-CG 4.23Å; G74-R93 VanDerWaalsContact CA-O 3.29Å; G74-R93 WeakPolarHBondContact CA-O 3.21Å; K75-R93 PolarHBondContact N-O 3.29Å; K75-R93 PolarHBondContact O-N 2.97Å; T77-R93 PolarHBondContact OG1-NH1 3.27Å; T77-R93 VanDerWaalsContact OG1-NH1 3.14Å; R93-N215 PolarHBondContact NH2-O 2.87Å; R93-S218 WeakPolarHBondContact CD-OG 3.09Å; R93-S218 PolarHBondContact NE-OG 3.05Å
94	V	98.9	Very high	97.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	116.1	177.7	-178.1	0	0	0	0	109.6	E44 I45 W47 S56 V58 A72 L96	E44-V94 PolarHBondContact OE2-N 3.45Å; I45-V94 PolarHBondContact N-O 3.4Å; I45-V94 PolarHBondContact O-N 2.82Å; W47-V94 HydrophobicContact CH2-CG2 3.46Å; W47-V94 VanDerWaalsContact CH2-CG2 3.46Å; W47-V94 HydrophobicContact CZ3-CB 4.18Å; W47-V94 HydrophobicContact CZ3-CG2 3.55Å; S56-V94 WeakPolarHBondContact O-CG2 3.39Å; V58-V94 HydrophobicContact CB-CB 4.46Å; V58-V94 HydrophobicContact CB-CG1 4Å; V58-V94 HydrophobicContact CG2-CB 3.6Å; V58-V94 HydrophobicContact CG2-CG1 3.69Å; V58-V94 HydrophobicContact CG2-CG2 3.96Å; A72-V94 HydrophobicContact CB-CG1 3.6Å; V94-L96 HydrophobicContact CG1-CD2 4.45Å
95	T	98.8	Very high	98	Very high	51 Å²	51	46.5 Å²	46.5	31%	0.313	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	120.9	177.8	-48.1	0	0	0	0	110.1	A37 F39 E44 T97	A37-T95 HydrophobicContact CB-CG2 3.63Å; F39-T95 HydrophobicContact CE1-CG2 4.23Å; F39-T95 HydrophobicContact CZ-CG2 3.89Å; E44-T95 WeakPolarHBondContact OE2-CA 3.26Å; E44-T95 WeakPolarHBondContact OE2-CB 3.4Å; E44-T95 PolarHBondContact OE2-N 2.97Å; E44-T95 PolarHBondContact OE2-OG1 2.83Å; T95-T97 HydrophobicContact CG2-CG2 4.27Å
96	L	98.8	Very high	98	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	137.1	167.1	-52.2	-172.1	0	0	0	108.8	S42 M43 I45 V58 Y60 A72 V94 L99 F121	S42-L96 WeakPolarHBondContact CA-O 3.32Å; S42-L96 WeakPolarHBondContact CB-O 3.29Å; M43-L96 HydrophobicContact CB-CB 4.46Å; M43-L96 PolarHBondContact N-O 3Å; M43-L96 VanDerWaalsContact N-O 3.14Å; M43-L96 PolarHBondContact O-N 3.08Å; I45-L96 HydrophobicContact CD1-CD1 4.19Å; I45-L96 HydrophobicContact CG1-CD1 4.05Å; I45-L96 HydrophobicContact CG1-CG 4.04Å; V58-L96 HydrophobicContact CB-CD2 4.12Å; V58-L96 HydrophobicContact CG1-CD1 4.45Å; V58-L96 HydrophobicContact CG1-CD2 3.93Å; Y60-L96 HydrophobicContact CD1-CD1 4.45Å; Y60-L96 HydrophobicContact CD1-CD2 3.87Å; Y60-L96 HydrophobicContact CD2-CD1 4.09Å; Y60-L96 HydrophobicContact CE1-CD2 3.7Å; Y60-L96 HydrophobicContact CE2-CD1 4.36Å; Y60-L96 HydrophobicContact CG-CD1 4.15Å; Y60-L96 HydrophobicContact CG-CD2 4.4Å; A72-L96 HydrophobicContact CB-CD2 3.55Å; V94-L96 HydrophobicContact CG1-CD2 4.45Å; L96-L99 HydrophobicContact CB-CD1 4.13Å; L96-L99 HydrophobicContact CB-CD2 4.15Å; L96-L99 HydrophobicContact CB-CG 4.29Å; L96-F121 HydrophobicContact CD1-CE1 3.94Å; L96-F121 HydrophobicContact CD1-CZ 3.81Å
97	T	98.3	Very high	98.1	Very high	56 Å²	56	40.8 Å²	40.8	34%	0.344	21%	0.211	S	C	.	.			trans	-127.3	168.5	179.7	66.3	0	0	0	0	110.7	F39 G41 T95 L99	F39-T97 HydrophobicContact CE2-CG2 3.9Å; F39-T97 HydrophobicContact CZ-CG2 3.83Å; G41-T97 CarbonylContact O-C 3.57Å; T95-T97 HydrophobicContact CG2-CG2 4.27Å; T97-L99 PolarHBondContact O-N 3.25Å; T97-L99 VanDerWaalsContact O-N 3.08Å
98	D	97.1	Very high	98.2	Very high	150 Å²	150	39.9 Å²	39.9	80%	0.802	21%	0.209	S	C	*	.	S	Bend	trans	55.9	29.2	175.7	-50.2	-66.1	0	0	0	113	G41	G41-D98 PolarHBondContact O-N 3.27Å; G41-D98 VanDerWaalsContact O-N 3.13Å
99	L	98.3	Very high	98.2	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.031	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-67.4	136.7	176.8	-62.5	175.2	0	0	0	109.5	G41 M43 Y60 L96 T97 P101 Y105 F121 A123	G41-L99 WeakPolarHBondContact O-CB 3.4Å; G41-L99 WeakPolarHBondContact O-CG 3.4Å; G41-L99 PolarHBondContact O-N 3.44Å; M43-L99 HydrophobicContact CB-CD1 3.76Å; Y60-L99 HydrophobicContact CD2-CD2 4.39Å; Y60-L99 HydrophobicContact CE2-CD2 3.86Å; L96-L99 HydrophobicContact CB-CD1 4.13Å; L96-L99 HydrophobicContact CB-CD2 4.15Å; L96-L99 HydrophobicContact CB-CG 4.29Å; T97-L99 PolarHBondContact O-N 3.25Å; T97-L99 VanDerWaalsContact O-N 3.08Å; L99-P101 VanDerWaalsContact O-CD 3.31Å; L99-P101 WeakPolarHBondContact O-CD 3.2Å; L99-Y105 HydrophobicContact CB-CE2 4.23Å; L99-Y105 HydrophobicContact CD2-CD1 4.32Å; L99-Y105 HydrophobicContact CD2-CD2 4.26Å; L99-Y105 HydrophobicContact CD2-CE1 3.93Å; L99-Y105 HydrophobicContact CD2-CE2 3.9Å; L99-Y105 HydrophobicContact CD2-CG 4.47Å; L99-F121 HydrophobicContact CD1-CE2 3.91Å; L99-F121 HydrophobicContact CD1-CZ 4.01Å; L99-F121 HydrophobicContact CD2-CZ 4.4Å; L99-A123 HydrophobicContact CB-CB 3.91Å; L99-A123 HydrophobicContact CD1-CB 4.24Å
100	R	97.7	Very high	98.2	Very high	165 Å²	165	34 Å²	34	62%	0.623	18%	0.184	S	C	*	.	P	Polyproline II helix	trans	-68.8	121.1	174	-174.4	-179	172	-177.9	-1.7	108.8	S103 Y105 A123	R100-S103 VanDerWaalsContact CD-OG 3.24Å; R100-S103 WeakPolarHBondContact CD-OG 3.14Å; R100-S103 VanDerWaalsContact CG-OG 3.24Å; R100-S103 WeakPolarHBondContact CG-OG 3.36Å; R100-S103 VanDerWaalsContact O-CB 3.26Å; R100-S103 WeakPolarHBondContact O-CB 3.09Å; R100-S103 PolarHBondContact O-N 2.97Å; R100-S103 PolarHBondContact O-OG 2.87Å; R100-Y105 PolarHBondContact N-OH 2.67Å; R100-A123 WeakPolarHBondContact O-CB 3.22Å
101	P	97.2	Very high	98.2	Very high	49 Å²	49	32.8 Å²	32.8	32%	0.318	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	145.8	-178.5	-27.6	36.3	0	0	0	112.4	L99 S103 E126	L99-P101 VanDerWaalsContact O-CD 3.31Å; L99-P101 WeakPolarHBondContact O-CD 3.2Å; P101-S103 PolarHBondContact O-N 3.39Å; P101-S103 PolarHBondContact O-OG 2.93Å; P101-E126 HydrophobicContact CB-CG 4.16Å; P101-E126 HydrophobicContact CG-CB 4.47Å; P101-E126 VanDerWaalsContact CG-CD 3.5Å; P101-E126 HydrophobicContact CG-CG 3.92Å
102	A	96.5	Very high	98	Very high	55 Å²	55	41.2 Å²	41.2	46%	0.455	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	25.3	178.9	0	0	0	0	0	114.8	A123 L124 N125	A102-A123 VanDerWaalsContact CA-O 3.29Å; A102-A123 WeakPolarHBondContact CA-O 3.37Å; A102-A123 PolarHBondContact N-O 2.69Å; A102-L124 PolarHBondContact N-O 3.05Å; A102-N125 HydrophobicContact CB-CB 4.03Å
103	S	97.6	Very high	97.8	Very high	18 Å²	18	43.6 Å²	43.6	13%	0.126	24%	0.239	C	C	.	.			trans	-109.1	139.9	179.3	-58	0	0	0	0	110.8	R100 P101 Y105 A123	R100-S103 VanDerWaalsContact CD-OG 3.24Å; R100-S103 WeakPolarHBondContact CD-OG 3.14Å; R100-S103 VanDerWaalsContact CG-OG 3.24Å; R100-S103 WeakPolarHBondContact CG-OG 3.36Å; R100-S103 VanDerWaalsContact O-CB 3.26Å; R100-S103 WeakPolarHBondContact O-CB 3.09Å; R100-S103 PolarHBondContact O-N 2.97Å; R100-S103 PolarHBondContact O-OG 2.87Å; P101-S103 PolarHBondContact O-N 3.39Å; P101-S103 PolarHBondContact O-OG 2.93Å; S103-Y105 WeakPolarHBondContact O-CD2 3.27Å; S103-A123 PolarHBondContact O-N 2.81Å
104	A	97.7	Very high	97.6	Very high	38 Å²	38	41.7 Å²	41.7	31%	0.314	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	137.3	176.2	0	0	0	0	0	111	W63 F121	W63-A104 HydrophobicContact CB-CB 3.72Å; W63-A104 WeakPolarHBondContact CB-O 3.45Å; W63-A104 HydrophobicContact CG-CB 4.31Å; W63-A104 PolarHBondContact N-O 3.23Å; A104-F121 CarbonylContact C-O 3.53Å; A104-F121 WeakPolarHBondContact CA-O 3.34Å
105	Y	98.5	Very high	97.5	Very high	9 Å²	9	45 Å²	45	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	145.5	176.4	-75.1	-94.2	0	0	0	110	Y60 G61 L62 L70 L99 R100 S103 S120 F121 A123	Y60-Y105 AromaticContact CD2-CD1 3.78Å; Y60-Y105 HydrophobicContact CD2-CD1 3.78Å; Y60-Y105 HydrophobicContact CD2-CE1 4.11Å; Y60-Y105 HydrophobicContact CE2-CD1 4.36Å; Y60-Y105 HydrophobicContact CE2-CE1 4.24Å; G61-Y105 CarbonylContact O-C 3.58Å; G61-Y105 VanDerWaalsContact O-CA 3.28Å; G61-Y105 WeakPolarHBondContact O-CA 3.42Å; G61-Y105 WeakPolarHBondContact O-CD1 3.44Å; L62-Y105 HydrophobicContact CD2-CD1 4.3Å; L62-Y105 HydrophobicContact CD2-CD2 4.43Å; L62-Y105 HydrophobicContact CD2-CE1 3.73Å; L62-Y105 HydrophobicContact CD2-CE2 3.86Å; L62-Y105 VanDerWaalsContact CD2-CZ 3.48Å; L62-Y105 HydrophobicContact CG-CE1 3.94Å; L70-Y105 HydrophobicContact CD1-CE1 4.49Å; L99-Y105 HydrophobicContact CB-CE2 4.23Å; L99-Y105 HydrophobicContact CD2-CD1 4.32Å; L99-Y105 HydrophobicContact CD2-CD2 4.26Å; L99-Y105 HydrophobicContact CD2-CE1 3.93Å; L99-Y105 HydrophobicContact CD2-CE2 3.9Å; L99-Y105 HydrophobicContact CD2-CG 4.47Å; R100-Y105 PolarHBondContact N-OH 2.67Å; S103-Y105 WeakPolarHBondContact O-CD2 3.27Å; Y105-S120 CarbonylContact O-C 3.56Å; Y105-S120 WeakPolarHBondContact O-CA 3.27Å; Y105-S120 VanDerWaalsContact O-CB 3.22Å; Y105-S120 WeakPolarHBondContact O-CB 3.39Å; Y105-F121 HydrophobicContact CD2-CE2 4.3Å; Y105-F121 HydrophobicContact CD2-CZ 4.27Å; Y105-F121 HydrophobicContact CG-CZ 4.16Å; Y105-F121 PolarHBondContact N-O 3.32Å; Y105-F121 PolarHBondContact O-N 2.83Å; Y105-A123 HydrophobicContact CD2-CB 4.29Å; Y105-A123 HydrophobicContact CE2-CB 4.1Å
106	V	98.4	Very high	97.5	Very high	10 Å²	10	43.2 Å²	43.2	6%	0.061	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	141.6	164.7	-67.6	0	0	0	0	108.6	Y60 G61 W63 L67 F119	Y60-V106 CarbonylContact C-O 3.47Å; Y60-V106 WeakPolarHBondContact CA-O 3.37Å; Y60-V106 WeakPolarHBondContact CB-O 3.38Å; G61-V106 PolarHBondContact N-O 3.31Å; G61-V106 PolarHBondContact O-N 2.97Å; W63-V106 HydrophobicContact CD2-CG1 4.08Å; W63-V106 HydrophobicContact CE3-CG1 3.18Å; W63-V106 HydrophobicContact CZ3-CG1 3.48Å; W63-V106 VanDerWaalsContact CZ3-CG1 3.48Å; L67-V106 HydrophobicContact CD2-CG2 3.66Å; V106-F119 WeakPolarHBondContact CA-O 3.27Å
107	Y	98.8	Very high	97.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	160.3	179.4	79.3	-79.4	0	0	0	112.3	V32 I34 I45 V58 E59 F119 F121 A193	V32-Y107 HydrophobicContact CG1-CE2 4.12Å; V32-Y107 WeakPolarHBondContact CG1-OH 3.21Å; I34-Y107 VanDerWaalsContact CG2-OH 3.3Å; I34-Y107 WeakPolarHBondContact CG2-OH 3.21Å; I45-Y107 HydrophobicContact CD1-CD2 4.39Å; I45-Y107 HydrophobicContact CD1-CE2 4.09Å; I45-Y107 HydrophobicContact CG1-CE2 4.46Å; I45-Y107 HydrophobicContact CG2-CD2 4.23Å; I45-Y107 HydrophobicContact CG2-CE2 3.64Å; V58-Y107 HydrophobicContact CG1-CD2 4.14Å; E59-Y107 VanDerWaalsContact O-CA 3.27Å; E59-Y107 WeakPolarHBondContact O-CA 3.04Å; Y107-F119 HydrophobicContact CD1-CB 3.88Å; Y107-F119 HydrophobicContact CE1-CB 3.32Å; Y107-F119 HydrophobicContact CE1-CG 4.38Å; Y107-F119 HydrophobicContact CE2-CB 4.23Å; Y107-F119 HydrophobicContact CE2-CD2 4.14Å; Y107-F119 PolarHBondContact N-O 3.17Å; Y107-F119 PolarHBondContact O-N 2.77Å; Y107-F121 AromaticContact CD1-CD1 3.56Å; Y107-F121 HydrophobicContact CD1-CD1 3.56Å; Y107-F121 AromaticContact CD1-CE1 3.91Å; Y107-F121 HydrophobicContact CD1-CE1 3.91Å; Y107-F121 AromaticContact CE1-CD1 3.71Å; Y107-F121 HydrophobicContact CE1-CD1 3.71Å; Y107-F121 HydrophobicContact CE1-CE1 4.39Å; Y107-F121 HydrophobicContact CG-CD1 4.49Å; Y107-F121 HydrophobicContact CG-CE1 4.44Å; Y107-A193 PolarHBondContact OH-O 2.87Å
108	H	98.6	Very high	97.4	Very high	20 Å²	20	50.2 Å²	50.2	9%	0.093	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	155.8	163.1	70.4	144.9	0	0	0	108.5	V58 E59 F68 W115	V58-H108 WeakPolarHBondContact CA-O 3.46Å; E59-H108 PolarHBondContact N-O 2.96Å; E59-H108 VanDerWaalsContact N-O 3.09Å; E59-H108 PolarHBondContact O-CD2 3.49Å; E59-H108 PolarHBondContact O-N 3.48Å; E59-H108 IonicContact OE2-CD2 3.51Å; E59-H108 IonicContact OE2-CE1 3.71Å; E59-H108 IonicContact OE2-NE2 3.91Å; E59-H108 PolarHBondContact OE2-NE2 3.38Å; F68-H108 AromaticContact CD1-CD2 3.61Å; F68-H108 AromaticContact CD1-NE2 3.98Å; F68-H108 AromaticContact CD2-NE2 3.93Å; F68-H108 HydrophobicContact CE1-CB 4.49Å; F68-H108 AromaticContact CE1-CD2 3.47Å; F68-H108 VanDerWaalsContact CE1-CD2 3.47Å; F68-H108 WeakPolarHBondContact CE1-CD2 3.33Å; F68-H108 AromaticContact CG-NE2 3.9Å; F68-H108 AromaticContact CZ-CD2 3.75Å; H108-W115 AromaticContact CE1-CD2 3.61Å; H108-W115 AromaticContact CE1-CE3 3.4Å; H108-W115 AromaticContact CE1-CZ3 3.93Å; H108-W115 AromaticContact ND1-CD2 3.85Å; H108-W115 AromaticContact ND1-CE3 3.51Å; H108-W115 AromaticContact NE2-CE3 3.91Å
109	C	98.8	Very high	97.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	150.8	-175.8	61.3	0	0	0	0	111.1	P29 I45 W47 T57 V58 S116	P29-C109 WeakPolarHBondContact CG-O 3.18Å; I45-C109 HydrophobicContact CG2-CB 4.31Å; W47-C109 HydrophobicContact CD2-CB 3.93Å; W47-C109 HydrophobicContact CE3-CB 3.64Å; W47-C109 HydrophobicContact CH2-CB 3.97Å; W47-C109 HydrophobicContact CZ2-CB 4.27Å; W47-C109 HydrophobicContact CZ3-CB 3.67Å; T57-C109 CarbonylContact O-C 3.57Å; T57-C109 WeakPolarHBondContact O-CA 3.44Å; V58-C109 HydrophobicContact CG2-CB 3.91Å; C109-S116 PolarHBondContact N-OG 3.25Å; C109-S116 WeakPolarHBondContact O-CB 3.35Å; C109-S116 PolarHBondContact O-N 3.03Å; C109-S116 PolarHBondContact O-OG 2.97Å
110	G	98.3	Very high	97.4	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.021	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.1	-142.5	179.4	0	0	0	0	0	113.8	T57 G114	T57-G110 PolarHBondContact N-O 3.17Å; T57-G110 PolarHBondContact O-N 2.88Å; G110-G114 VanDerWaalsContact CA-O 3.29Å; G110-G114 WeakPolarHBondContact CA-O 3.3Å
111	S	97.1	Very high	97.5	Very high	7 Å²	7	37.3 Å²	37.3	5%	0.049	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.7	-179.4	177.7	66.4	0	0	0	0	110.2	A113 G114 W115	S111-A113 PolarHBondContact O-N 3.26Å; S111-A113 PolarHBondContact OG-N 3Å; S111-G114 PolarHBondContact N-O 3.39Å; S111-G114 CarbonylContact O-C 3.5Å; S111-G114 PolarHBondContact O-N 3.02Å; S111-G114 VanDerWaalsContact O-O 3.05Å; S111-W115 PolarHBondContact O-NE1 2.91Å
112	E	94.6	Very high	97.5	Very high	177 Å²	177	38.8 Å²	38.8	83%	0.827	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55	-19.3	170.6	-63.7	-61.2	143.8	0	0	113.8
113	A	94.4	Very high	97.6	Very high	51 Å²	51	36.3 Å²	36.3	42%	0.421	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-10	176.6	0	0	0	0	0	114.4	T27 T53 S111	T27-A113 HydrophobicContact CG2-CB 4.15Å; T27-A113 PolarHBondContact OG1-O 2.99Å; T53-A113 HydrophobicContact CG2-CB 4.4Å; S111-A113 PolarHBondContact O-N 3.26Å; S111-A113 PolarHBondContact OG-N 3Å
114	G	94.8	Very high	97.5	Very high	12 Å²	12	36.6 Å²	36.6	12%	0.124	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.6	138.3	-178.1	0	0	0	0	0	112.6	P29 G110 S111	P29-G114 WeakPolarHBondContact CD-O 3.45Å; G110-G114 VanDerWaalsContact CA-O 3.29Å; G110-G114 WeakPolarHBondContact CA-O 3.3Å; S111-G114 PolarHBondContact N-O 3.39Å; S111-G114 CarbonylContact O-C 3.5Å; S111-G114 PolarHBondContact O-N 3.02Å; S111-G114 VanDerWaalsContact O-O 3.05Å
115	W	97.3	Very high	97.4	Very high	69 Å²	69	37 Å²	37	26%	0.261	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.7	-179.6	-68.7	100.3	0	0	0	110.5	Q28 T57 E59 H108 S111	Q28-W115 PolarHBondContact NE2-O 2.89Å; T57-W115 HydrophobicContact CG2-CH2 3.87Å; T57-W115 HydrophobicContact CG2-CZ3 4.39Å; E59-W115 HydrophobicContact CG-CH2 3.8Å; E59-W115 HydrophobicContact CG-CZ3 4Å; H108-W115 AromaticContact CE1-CD2 3.61Å; H108-W115 AromaticContact CE1-CE3 3.4Å; H108-W115 AromaticContact CE1-CZ3 3.93Å; H108-W115 AromaticContact ND1-CD2 3.85Å; H108-W115 AromaticContact ND1-CE3 3.51Å; H108-W115 AromaticContact NE2-CE3 3.91Å; S111-W115 PolarHBondContact O-NE1 2.91Å
116	S	98.3	Very high	97	Very high	13 Å²	13	41 Å²	41	9%	0.091	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-63.7	173.2	175.4	71.8	0	0	0	0	112.9	C109	C109-S116 PolarHBondContact N-OG 3.25Å; C109-S116 WeakPolarHBondContact O-CB 3.35Å; C109-S116 PolarHBondContact O-N 3.03Å; C109-S116 PolarHBondContact O-OG 2.97Å
117	D	97.4	Very high	96.9	Very high	120 Å²	120	42.6 Å²	42.6	64%	0.642	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-57.7	164.2	157.5	-70.6	-39.4	0	0	0	111.1	F119	D117-F119 HydrophobicContact CB-CE1 4.43Å; D117-F119 HydrophobicContact CB-CE2 4.37Å; D117-F119 HydrophobicContact CB-CZ 4.04Å; D117-F119 VanDerWaalsContact O-CD2 3.3Å; D117-F119 WeakPolarHBondContact O-CD2 3.47Å; D117-F119 VanDerWaalsContact O-CE2 3.31Å; D117-F119 WeakPolarHBondContact O-CE2 3.23Å
118	V	98.1	Very high	96.7	Very high	83 Å²	83	44.6 Å²	44.6	50%	0.503	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-84.3	126.1	174.2	-176.1	0	0	0	0	109.6	F68	F68-V118 HydrophobicContact CE1-CG1 4.42Å; F68-V118 HydrophobicContact CZ-CG1 4.01Å; F68-V118 HydrophobicContact CZ-CG2 3.87Å
119	F	98.3	Very high	96.5	Very high	12 Å²	12	48.3 Å²	48.3	5%	0.053	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	174.6	177.3	-58.2	-72	0	0	0	110.9	V32 V106 Y107 D117 Q189 A193 Y194	V32-F119 HydrophobicContact CB-CE2 3.92Å; V32-F119 HydrophobicContact CB-CZ 4.23Å; V32-F119 HydrophobicContact CG1-CD2 4.09Å; V32-F119 HydrophobicContact CG1-CE2 3.95Å; V32-F119 HydrophobicContact CG2-CE2 3.8Å; V32-F119 HydrophobicContact CG2-CZ 4.25Å; V106-F119 WeakPolarHBondContact CA-O 3.27Å; Y107-F119 HydrophobicContact CD1-CB 3.88Å; Y107-F119 HydrophobicContact CE1-CB 3.32Å; Y107-F119 HydrophobicContact CE1-CG 4.38Å; Y107-F119 HydrophobicContact CE2-CB 4.23Å; Y107-F119 HydrophobicContact CE2-CD2 4.14Å; Y107-F119 PolarHBondContact N-O 3.17Å; Y107-F119 PolarHBondContact O-N 2.77Å; D117-F119 HydrophobicContact CB-CE1 4.43Å; D117-F119 HydrophobicContact CB-CE2 4.37Å; D117-F119 HydrophobicContact CB-CZ 4.04Å; D117-F119 VanDerWaalsContact O-CD2 3.3Å; D117-F119 WeakPolarHBondContact O-CD2 3.47Å; D117-F119 VanDerWaalsContact O-CE2 3.31Å; D117-F119 WeakPolarHBondContact O-CE2 3.23Å; F119-Q189 HydrophobicContact CE1-CG 4.37Å; F119-Q189 HydrophobicContact CZ-CG 4.3Å; F119-A193 HydrophobicContact CB-CB 4.47Å; F119-A193 HydrophobicContact CD1-CB 3.57Å; F119-A193 HydrophobicContact CD2-CB 4.44Å; F119-A193 HydrophobicContact CE1-CB 3.83Å; F119-A193 HydrophobicContact CG-CB 3.91Å; F119-A193 HydrophobicContact CZ-CB 4.37Å; F119-Y194 HydrophobicContact CD1-CE1 4.47Å; F119-Y194 AromaticContact CD1-CE2 3.92Å; F119-Y194 HydrophobicContact CD1-CE2 3.92Å; F119-Y194 AromaticContact CD1-CZ 3.76Å; F119-Y194 HydrophobicContact CE1-CE2 4.44Å
120	S	97.8	Very high	96.4	Very high	33 Å²	33	50.1 Å²	50.1	23%	0.231	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	148.4	174.1	61.6	0	0	0	0	111.5	Y105 Y194	Y105-S120 CarbonylContact O-C 3.56Å; Y105-S120 WeakPolarHBondContact O-CA 3.27Å; Y105-S120 VanDerWaalsContact O-CB 3.22Å; Y105-S120 WeakPolarHBondContact O-CB 3.39Å; S120-Y194 WeakPolarHBondContact O-CA 3.45Å; S120-Y194 WeakPolarHBondContact O-CD1 3.29Å
121	F	98.3	Very high	96.4	Very high	5 Å²	5	51.5 Å²	51.5	2%	0.022	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	164.3	174.2	70.2	-86.7	0	0	0	110.5	I34 M43 L96 L99 A104 Y105 Y107 A123 Y194	I34-F121 HydrophobicContact CD1-CB 3.47Å; I34-F121 VanDerWaalsContact CD1-CB 3.47Å; I34-F121 HydrophobicContact CD1-CG 3.96Å; M43-F121 HydrophobicContact CB-CE2 4.08Å; M43-F121 HydrophobicContact CB-CZ 4.22Å; M43-F121 HydrophobicContact CE-CD2 3.61Å; M43-F121 HydrophobicContact CE-CE2 3.87Å; M43-F121 HydrophobicContact CE-CG 4.49Å; M43-F121 HydrophobicContact CG-CD2 4.35Å; M43-F121 HydrophobicContact CG-CE2 4.11Å; M43-F121 HydrophobicContact CG-CZ 4.33Å; L96-F121 HydrophobicContact CD1-CE1 3.94Å; L96-F121 HydrophobicContact CD1-CZ 3.81Å; L99-F121 HydrophobicContact CD1-CE2 3.91Å; L99-F121 HydrophobicContact CD1-CZ 4.01Å; L99-F121 HydrophobicContact CD2-CZ 4.4Å; A104-F121 CarbonylContact C-O 3.53Å; A104-F121 WeakPolarHBondContact CA-O 3.34Å; Y105-F121 HydrophobicContact CD2-CE2 4.3Å; Y105-F121 HydrophobicContact CD2-CZ 4.27Å; Y105-F121 HydrophobicContact CG-CZ 4.16Å; Y105-F121 PolarHBondContact N-O 3.32Å; Y105-F121 PolarHBondContact O-N 2.83Å; Y107-F121 AromaticContact CD1-CD1 3.56Å; Y107-F121 HydrophobicContact CD1-CD1 3.56Å; Y107-F121 AromaticContact CD1-CE1 3.91Å; Y107-F121 HydrophobicContact CD1-CE1 3.91Å; Y107-F121 AromaticContact CE1-CD1 3.71Å; Y107-F121 HydrophobicContact CE1-CD1 3.71Å; Y107-F121 HydrophobicContact CE1-CE1 4.39Å; Y107-F121 HydrophobicContact CG-CD1 4.49Å; Y107-F121 HydrophobicContact CG-CE1 4.44Å; F121-A123 HydrophobicContact CE2-CB 4.34Å; F121-Y194 WeakPolarHBondContact CB-O 3.38Å
122	T	97.9	Very high	96.4	Very high	80 Å²	80	51.2 Å²	51.2	49%	0.491	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	124.6	168.9	-60.3	0	0	0	0	109
123	A	97.9	Very high	96.6	Very high	3 Å²	3	46.8 Å²	46.8	3%	0.025	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-60.7	138.9	174.8	0	0	0	0	0	110	L99 R100 A102 S103 Y105 F121	L99-A123 HydrophobicContact CB-CB 3.91Å; L99-A123 HydrophobicContact CD1-CB 4.24Å; R100-A123 WeakPolarHBondContact O-CB 3.22Å; A102-A123 VanDerWaalsContact CA-O 3.29Å; A102-A123 WeakPolarHBondContact CA-O 3.37Å; A102-A123 PolarHBondContact N-O 2.69Å; S103-A123 PolarHBondContact O-N 2.81Å; Y105-A123 HydrophobicContact CD2-CB 4.29Å; Y105-A123 HydrophobicContact CE2-CB 4.1Å; F121-A123 HydrophobicContact CE2-CB 4.34Å
124	L	96	Very high	96.8	Very high	25 Å²	25	44.4 Å²	44.4	13%	0.131	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-55.6	142.8	-177.1	-71.2	175.8	0	0	0	111.4	Y36 A102 V162 P196 W230	Y36-L124 HydrophobicContact CD2-CD1 3.59Å; Y36-L124 HydrophobicContact CE2-CD1 4.25Å; Y36-L124 HydrophobicContact CG-CD1 4.16Å; A102-L124 PolarHBondContact N-O 3.05Å; L124-V162 HydrophobicContact CD2-CG2 4.19Å; L124-P196 HydrophobicContact CD2-CG 4.19Å; L124-P196 HydrophobicContact CG-CG 4.45Å; L124-W230 HydrophobicContact CD1-CZ3 4.09Å
125	N	95.5	Very high	97	Very high	47 Å²	47	43.8 Å²	43.8	25%	0.251	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-82	124.7	173.3	-173.7	-11	0	0	0	109.3	A102 S127 W130	A102-N125 HydrophobicContact CB-CB 4.03Å; N125-S127 VanDerWaalsContact C-N 3.34Å; N125-S127 WeakPolarHBondContact OD1-CB 3.4Å; N125-S127 PolarHBondContact OD1-N 3.23Å; N125-W130 HydrophobicContact CB-CD2 3.76Å; N125-W130 HydrophobicContact CB-CE3 4.3Å; N125-W130 HydrophobicContact CB-CG 3.94Å; N125-W130 HydrophobicContact CB-CZ2 4.01Å; N125-W130 WeakPolarHBondContact ND2-CB 3.39Å; N125-W130 PolarHBondContact O-NE1 2.75Å
126	E	91.3	Very high	97.1	Very high	92 Å²	92	40.5 Å²	40.5	43%	0.43	23%	0.229	S	C	.	.			trans	-85.6	-9.1	-177.4	-63.7	177.4	179.1	0	0	113.3	A40 G41 P101	A40-E126 HydrophobicContact CB-CG 4.31Å; A40-E126 WeakPolarHBondContact CB-OE1 3.34Å; G41-E126 WeakPolarHBondContact CA-OE1 3.49Å; G41-E126 PolarHBondContact N-OE1 3.25Å; P101-E126 HydrophobicContact CB-CG 4.16Å; P101-E126 HydrophobicContact CG-CB 4.47Å; P101-E126 VanDerWaalsContact CG-CD 3.5Å; P101-E126 HydrophobicContact CG-CG 3.92Å
127	S	94.8	Very high	97.1	Very high	44 Å²	44	39.9 Å²	39.9	31%	0.308	22%	0.224	S	C	.	.			trans	-58.7	152.2	172	-177.4	0	0	0	0	110.3	N125 S129 W130 G233	N125-S127 VanDerWaalsContact C-N 3.34Å; N125-S127 WeakPolarHBondContact OD1-CB 3.4Å; N125-S127 PolarHBondContact OD1-N 3.23Å; S127-S129 PolarHBondContact OG-N 3.32Å; S127-S129 PolarHBondContact OG-OG 2.87Å; S127-W130 PolarHBondContact O-NE1 3.25Å; S127-G233 WeakPolarHBondContact O-CA 3.16Å
128	T	94.9	Very high	97.2	Very high	41 Å²	41	34.2 Å²	34.2	25%	0.252	19%	0.194	S	C	.	.	S	Bend	trans	-96.8	-9	171.8	55	0	0	0	0	112.4	G233 S234 E277	T128-G233 CarbonylContact O-C 3.41Å; T128-S234 WeakPolarHBondContact O-CB 3.06Å; T128-S234 PolarHBondContact O-N 2.9Å; T128-E277 HydrophobicContact CG2-CG 3.43Å; T128-E277 VanDerWaalsContact CG2-CG 3.43Å; T128-E277 WeakPolarHBondContact CG2-OE1 3.36Å
129	S	94.3	Very high	97.2	Very high	98 Å²	98	30.2 Å²	30.2	69%	0.685	17%	0.17	S	C	*	.	S	Bend	trans	-102.2	-1.7	-176.7	62.6	0	0	0	0	114.1	S127	S127-S129 PolarHBondContact OG-N 3.32Å; S127-S129 PolarHBondContact OG-OG 2.87Å
130	W	96.7	Very high	97.1	Very high	39 Å²	39	29.7 Å²	29.7	15%	0.148	17%	0.167	C	C	.	.	S	Bend	trans	-78.4	163.1	171.1	81	-72.2	0	0	0	111.1	N125 S127 P132 D161 V232	N125-W130 HydrophobicContact CB-CD2 3.76Å; N125-W130 HydrophobicContact CB-CE3 4.3Å; N125-W130 HydrophobicContact CB-CG 3.94Å; N125-W130 HydrophobicContact CB-CZ2 4.01Å; N125-W130 WeakPolarHBondContact ND2-CB 3.39Å; N125-W130 PolarHBondContact O-NE1 2.75Å; S127-W130 PolarHBondContact O-NE1 3.25Å; W130-P132 HydrophobicContact CD2-CB 4.39Å; W130-P132 HydrophobicContact CE3-CB 4.21Å; W130-P132 HydrophobicContact CH2-CB 3.5Å; W130-P132 HydrophobicContact CZ2-CB 3.69Å; W130-P132 HydrophobicContact CZ2-CG 4.4Å; W130-P132 VanDerWaalsContact CZ3-CA 3.44Å; W130-P132 HydrophobicContact CZ3-CB 3.77Å; W130-P132 WeakPolarHBondContact O-CD 3.04Å; W130-D161 HydrophobicContact CH2-CB 3.81Å; W130-D161 HydrophobicContact CZ3-CB 3.93Å; W130-V232 HydrophobicContact CH2-CG2 4.28Å; W130-V232 HydrophobicContact CZ2-CG2 3.58Å
131	S	98	Very high	97	Very high	31 Å²	31	28.1 Å²	28.1	22%	0.217	16%	0.156	C	C	.	.			trans	-110.3	90.3	-174.3	-178.1	0	0	0	0	111.1	Q404 V405 H406	S131-Q404 VanDerWaalsContact OG-CG 3.25Å; S131-Q404 WeakPolarHBondContact OG-CG 3.44Å; S131-Q404 PolarHBondContact OG-NE2 2.8Å; S131-V405 WeakPolarHBondContact CA-O 3.33Å; S131-V405 WeakPolarHBondContact CB-O 3.49Å; S131-V405 PolarHBondContact OG-O 3.02Å; S131-H406 WeakPolarHBondContact OG-CA 3.32Å
132	P	98.3	Very high	96.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.162	C	C	.	.			trans	-68.7	140.4	179.2	26.9	-34.2	0	0	0	112.2	W130 F134 V232 Q404 V405	W130-P132 HydrophobicContact CD2-CB 4.39Å; W130-P132 HydrophobicContact CE3-CB 4.21Å; W130-P132 HydrophobicContact CH2-CB 3.5Å; W130-P132 HydrophobicContact CZ2-CB 3.69Å; W130-P132 HydrophobicContact CZ2-CG 4.4Å; W130-P132 VanDerWaalsContact CZ3-CA 3.44Å; W130-P132 HydrophobicContact CZ3-CB 3.77Å; W130-P132 WeakPolarHBondContact O-CD 3.04Å; P132-F134 HydrophobicContact CB-CE2 3.59Å; P132-F134 HydrophobicContact CB-CZ 3.69Å; P132-F134 HydrophobicContact CG-CE2 3.76Å; P132-F134 HydrophobicContact CG-CZ 3.92Å; P132-F134 WeakPolarHBondContact O-CE2 3.48Å; P132-V232 HydrophobicContact CB-CG2 3.91Å; P132-V232 HydrophobicContact CG-CG2 4.22Å; P132-Q404 WeakPolarHBondContact O-CA 3.09Å; P132-V405 HydrophobicContact CG-CB 4.02Å; P132-V405 HydrophobicContact CG-CG2 4.43Å; P132-V405 PolarHBondContact O-N 3.03Å; P132-V405 VanDerWaalsContact O-N 3.14Å
133	R	98.8	Very high	96.6	Very high	85 Å²	85	31.4 Å²	31.4	32%	0.321	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134.5	178.4	-57.8	165.2	-64.9	155.3	8.3	110.4	G158 M159 D161 V162 M403 Q404	R133-G158 PolarHBondContact NH1-O 3.1Å; R133-G158 PolarHBondContact NH2-O 3.13Å; R133-M159 VanDerWaalsContact CZ-O 3.29Å; R133-M159 PolarHBondContact NE-O 2.83Å; R133-M159 PolarHBondContact NH1-O 3.02Å; R133-D161 WeakPolarHBondContact CB-OD2 3.34Å; R133-D161 IonicContact CZ-OD1 3.16Å; R133-D161 IonicContact CZ-OD2 3.51Å; R133-D161 PolarHBondContact N-OD2 3.11Å; R133-D161 IonicContact NE-OD1 3.52Å; R133-D161 IonicContact NE-OD2 2.7Å; R133-D161 PolarHBondContact NE-OD2 3.41Å; R133-D161 VanDerWaalsContact NE-OD2 3.07Å; R133-D161 IonicContact NH2-OD1 3.45Å; R133-D161 PolarHBondContact NH2-OD1 2.89Å; R133-D161 IonicContact NH2-OD2 2.97Å; R133-D161 PolarHBondContact O-N 3.09Å; R133-V162 PolarHBondContact O-N 3.11Å; R133-M403 CarbonylContact C-O 3.46Å; R133-M403 WeakPolarHBondContact CA-O 3.07Å; R133-Q404 HydrophobicContact CG-CB 4.49Å; R133-Q404 HydrophobicContact CG-CG 4.01Å
134	F	98.9	Very high	96.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	146.1	-174.4	-50.5	-105.6	0	0	0	110.4	P132 V136 V162 L164 V232 I237 R402 M403 V405	P132-F134 HydrophobicContact CB-CE2 3.59Å; P132-F134 HydrophobicContact CB-CZ 3.69Å; P132-F134 HydrophobicContact CG-CE2 3.76Å; P132-F134 HydrophobicContact CG-CZ 3.92Å; P132-F134 WeakPolarHBondContact O-CE2 3.48Å; F134-V136 HydrophobicContact CB-CG2 4.11Å; F134-V162 VanDerWaalsContact CA-O 3.3Å; F134-V162 WeakPolarHBondContact CA-O 3.44Å; F134-V162 HydrophobicContact CD1-CB 3.55Å; F134-V162 HydrophobicContact CD1-CG1 3.72Å; F134-V162 HydrophobicContact CD1-CG2 4.26Å; F134-V162 HydrophobicContact CE1-CB 3.76Å; F134-V162 HydrophobicContact CE1-CG1 3.91Å; F134-V162 HydrophobicContact CE1-CG2 3.97Å; F134-V162 HydrophobicContact CG-CB 4.45Å; F134-L164 HydrophobicContact CD1-CD1 4.18Å; F134-L164 HydrophobicContact CD1-CD2 4.27Å; F134-L164 HydrophobicContact CD1-CG 4.05Å; F134-V232 HydrophobicContact CE1-CG1 4.02Å; F134-V232 HydrophobicContact CZ-CG1 3.7Å; F134-V232 HydrophobicContact CZ-CG2 4.41Å; F134-I237 HydrophobicContact CE1-CD1 3.71Å; F134-I237 HydrophobicContact CZ-CD1 3.97Å; F134-R402 WeakPolarHBondContact O-CA 3.41Å; F134-M403 HydrophobicContact CB-CB 4.22Å; F134-M403 HydrophobicContact CB-CE 4.09Å; F134-M403 HydrophobicContact CD1-CE 4.11Å; F134-M403 HydrophobicContact CD2-CB 4.42Å; F134-M403 HydrophobicContact CD2-CE 3.49Å; F134-M403 VanDerWaalsContact CD2-CE 3.49Å; F134-M403 HydrophobicContact CD2-CG 4.45Å; F134-M403 HydrophobicContact CE1-CE 4.46Å; F134-M403 HydrophobicContact CE2-CE 3.89Å; F134-M403 HydrophobicContact CG-CE 3.64Å; F134-M403 HydrophobicContact CZ-CE 4.36Å; F134-M403 PolarHBondContact N-O 3.44Å; F134-M403 PolarHBondContact O-N 2.98Å; F134-V405 HydrophobicContact CE2-CG2 4.03Å
135	A	98.9	Very high	96.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	138.5	149.7	0	0	0	0	0	108.4	Y137 L151 Y160 V162 I163 L164 Y400	A135-Y137 HydrophobicContact CB-CD1 4.43Å; A135-Y137 HydrophobicContact CB-CE1 4.32Å; A135-L151 HydrophobicContact CB-CD2 3.78Å; A135-Y160 HydrophobicContact CB-CD1 3.99Å; A135-Y160 HydrophobicContact CB-CD2 4.1Å; A135-Y160 HydrophobicContact CB-CE1 3.83Å; A135-Y160 HydrophobicContact CB-CE2 3.95Å; A135-Y160 HydrophobicContact CB-CG 4.13Å; A135-V162 PolarHBondContact N-O 3.23Å; A135-I163 HydrophobicContact CB-CD1 3.6Å; A135-L164 PolarHBondContact O-N 2.86Å; A135-Y400 HydrophobicContact CB-CD2 4.33Å
136	V	98.9	Very high	96.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	125.6	-178.2	-172.2	0	0	0	0	108.5	F134 L164 V166 L333 T371 T401 M403	F134-V136 HydrophobicContact CB-CG2 4.11Å; V136-L164 WeakPolarHBondContact CA-O 3.39Å; V136-L164 HydrophobicContact CB-CB 4.48Å; V136-L164 HydrophobicContact CG1-CB 4.2Å; V136-L164 HydrophobicContact CG2-CB 4.21Å; V136-L164 HydrophobicContact CG2-CD1 4.01Å; V136-L164 HydrophobicContact CG2-CG 4.31Å; V136-V166 HydrophobicContact CG1-CG2 3.94Å; V136-L333 HydrophobicContact CG1-CB 4.45Å; V136-L333 HydrophobicContact CG1-CD1 3.94Å; V136-L333 HydrophobicContact CG1-CD2 4.37Å; V136-L333 HydrophobicContact CG1-CG 4.48Å; V136-L333 HydrophobicContact CG2-CD1 4.38Å; V136-T371 HydrophobicContact CG1-CG2 3.89Å; V136-T371 PolarHBondContact O-OG1 2.89Å; V136-T401 HydrophobicContact CB-CG2 4.49Å; V136-T401 PolarHBondContact N-O 2.95Å; V136-T401 PolarHBondContact O-N 3.27Å; V136-M403 HydrophobicContact CG2-CB 4.15Å; V136-M403 HydrophobicContact CG2-CE 4.4Å
137	Y	98.8	Very high	97	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	154.2	177.3	53.7	-89.4	0	0	0	110.8	A135 M140 L151 I163 L164 H165 V166 Y197 T371 A374	A135-Y137 HydrophobicContact CB-CD1 4.43Å; A135-Y137 HydrophobicContact CB-CE1 4.32Å; Y137-M140 HydrophobicContact CD2-CB 4.27Å; Y137-M140 HydrophobicContact CE2-CB 4.21Å; Y137-M140 HydrophobicContact CE2-CE 3.83Å; Y137-M140 HydrophobicContact CE2-SD 4.1Å; Y137-L151 HydrophobicContact CD1-CD1 3.87Å; Y137-L151 HydrophobicContact CD1-CD2 4.04Å; Y137-L151 HydrophobicContact CE1-CD1 3.48Å; Y137-L151 VanDerWaalsContact CE1-CD1 3.48Å; Y137-L151 HydrophobicContact CE1-CD2 3.7Å; Y137-L151 HydrophobicContact CE1-CG 4.23Å; Y137-L151 HydrophobicContact CE2-CD1 4.2Å; Y137-L151 HydrophobicContact CG-CD1 4.39Å; Y137-I163 HydrophobicContact CE1-CG2 3.67Å; Y137-I163 WeakPolarHBondContact OH-CG2 3.42Å; Y137-L164 PolarHBondContact N-O 3.39Å; Y137-L164 VanDerWaalsContact N-O 3.11Å; Y137-H165 AromaticContact CD2-CD2 3.94Å; Y137-H165 HydrophobicContact CE2-CB 4.15Å; Y137-H165 AromaticContact CE2-CD2 3.9Å; Y137-H165 AromaticContact CE2-CE1 3.83Å; Y137-H165 AromaticContact CE2-CG 3.61Å; Y137-H165 AromaticContact CE2-ND1 3.57Å; Y137-H165 AromaticContact CE2-NE2 3.99Å; Y137-H165 CarbonylContact O-C 3.57Å; Y137-H165 VanDerWaalsContact O-CA 3.23Å; Y137-H165 WeakPolarHBondContact O-CA 3.49Å; Y137-H165 PolarHBondContact O-CD2 2.94Å; Y137-V166 PolarHBondContact O-N 3.5Å; Y137-Y197 WeakPolarHBondContact OH-CE2 3.25Å; Y137-Y197 PolarHBondContact OH-OH 3.08Å; Y137-T371 WeakPolarHBondContact CA-O 3.5Å; Y137-A374 HydrophobicContact CD2-CB 3.94Å; Y137-A374 HydrophobicContact CG-CB 4.19Å
138	G	98.4	Very high	97.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.152	C	C	.	.			trans	-115.7	-177.9	161.8	0	0	0	0	0	111	M140 T371 A374	G138-M140 VanDerWaalsContact C-N 3.28Å; G138-M140 PolarHBondContact O-N 3.19Å; G138-T371 PolarHBondContact N-O 3.3Å; G138-A374 VanDerWaalsContact O-CB 3.3Å; G138-A374 WeakPolarHBondContact O-CB 3.26Å
139	D	98.4	Very high	97.3	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.168	C	C	.	.			trans	64.4	35	159.8	-52.1	-91.4	0	0	0	112.7	G141 G167 Y171 H286 A335 H336 H338 G372 G375 C376	D139-G141 PolarHBondContact O-N 3.26Å; D139-G167 PolarHBondContact N-O 2.95Å; D139-Y171 WeakPolarHBondContact CA-OH 3.36Å; D139-Y171 HydrophobicContact CB-CE2 4.47Å; D139-Y171 WeakPolarHBondContact CB-OH 3.25Å; D139-Y171 VanDerWaalsContact CG-OH 3.31Å; D139-Y171 PolarHBondContact OD1-OH 3.19Å; D139-H286 IonicContact OD1-CE1 3.33Å; D139-H286 PolarHBondContact OD1-CE1 2.8Å; D139-H286 IonicContact OD2-CE1 3.27Å; D139-A335 WeakPolarHBondContact OD2-CB 3.49Å; D139-H336 VanDerWaalsContact OD1-CA 3.32Å; D139-H336 WeakPolarHBondContact OD1-CA 3.42Å; D139-H336 PolarHBondContact OD1-N 3.49Å; D139-H336 PolarHBondContact OD2-N 3.46Å; D139-H338 IonicContact OD1-CD2 2.86Å; D139-H338 IonicContact OD1-NE2 3.62Å; D139-G372 WeakPolarHBondContact CB-O 2.99Å; D139-G372 WeakPolarHBondContact OD2-CA 3.29Å; D139-G375 CarbonylContact O-C 3.6Å; D139-G375 PolarHBondContact O-N 3.43Å; D139-G375 VanDerWaalsContact O-O 3.13Å; D139-C376 WeakPolarHBondContact O-CB 3.45Å
140	M	97.1	Very high	97.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.145	C	C	.	.			trans	-90.9	100.4	172.2	-167.1	173.9	64.2	0	0	109.1	Y137 G138 P145 L148 L151 A170 F184 I188 A374	Y137-M140 HydrophobicContact CD2-CB 4.27Å; Y137-M140 HydrophobicContact CE2-CB 4.21Å; Y137-M140 HydrophobicContact CE2-CE 3.83Å; Y137-M140 HydrophobicContact CE2-SD 4.1Å; G138-M140 VanDerWaalsContact C-N 3.28Å; G138-M140 PolarHBondContact O-N 3.19Å; M140-P145 HydrophobicContact CG-CB 4.06Å; M140-L148 HydrophobicContact CE-CD1 4.3Å; M140-L148 HydrophobicContact SD-CB 4.09Å; M140-L148 HydrophobicContact SD-CD1 4.25Å; M140-L151 HydrophobicContact SD-CD1 4.11Å; M140-A170 PolarHBondContact O-N 3.03Å; M140-F184 HydrophobicContact CE-CE2 4.09Å; M140-F184 HydrophobicContact CE-CZ 4.27Å; M140-F184 WeakPolarHBondContact O-CE2 3.19Å; M140-I188 HydrophobicContact CE-CG2 3.53Å; M140-A374 HydrophobicContact CB-CB 3.95Å; M140-A374 HydrophobicContact CG-CB 4.37Å
141	G	94.8	Very high	97.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-88.4	171	175.8	0	0	0	0	0	115.1	D139 P145 Y171	D139-G141 PolarHBondContact O-N 3.26Å; G141-P145 WeakPolarHBondContact O-CB 3.5Å; G141-Y171 VanDerWaalsContact CA-CD2 3.47Å
142	N	95.1	Very high	97.7	Very high	25 Å²	25	27.7 Å²	27.7	13%	0.134	14%	0.14	C	C	.	.	S	Bend	trans	-75.9	-35.2	-175.5	179.5	65.8	0	0	0	114	A170 I180 E183 F184 Q187	N142-A170 WeakPolarHBondContact CB-O 3.38Å; N142-A170 PolarHBondContact N-O 3.34Å; N142-I180 HydrophobicContact CB-CG2 4.27Å; N142-E183 WeakPolarHBondContact OD1-CB 3.29Å; N142-F184 HydrophobicContact CB-CB 4.43Å; N142-Q187 PolarHBondContact O-NE2 2.87Å; N142-Q187 VanDerWaalsContact O-NE2 3.15Å; N142-Q187 VanDerWaalsContact OD1-CD 3.23Å; N142-Q187 PolarHBondContact OD1-NE2 3.01Å; N142-Q187 PolarHBondContact OD1-OE1 3.12Å
143	E	93.5	Very high	97.7	Very high	129 Å²	129	34.2 Å²	34.2	60%	0.603	17%	0.168	S	C	*	.	S	Bend	trans	-89.2	-17.9	-170.7	-66.9	-176.3	-126	0	0	114.6	R377	E143-R377 HydrophobicContact CB-CB 4.24Å
144	N	96	Very high	97.7	Very high	28 Å²	28	31 Å²	31	15%	0.15	16%	0.157	C	C	.	.			trans	-145.8	55.3	-179	-176.9	44.4	0	0	0	112	Q146 G375 C376 Y398	N144-Q146 VanDerWaalsContact C-N 3.29Å; N144-Q146 PolarHBondContact O-N 3.4Å; N144-Q146 WeakPolarHBondContact OD1-CG 3.39Å; N144-Q146 PolarHBondContact OD1-NE2 2.89Å; N144-G375 CarbonylContact O-C 3.53Å; N144-G375 WeakPolarHBondContact O-CA 3.49Å; N144-C376 VanDerWaalsContact CB-O 3.25Å; N144-C376 WeakPolarHBondContact CB-O 3.48Å; N144-C376 PolarHBondContact ND2-O 2.88Å; N144-C376 PolarHBondContact O-N 2.92Å; N144-Y398 PolarHBondContact ND2-OH 2.85Å; N144-Y398 VanDerWaalsContact ND2-OH 3.07Å
145	P	96.6	Very high	97.6	Very high	32 Å²	32	31.3 Å²	31.3	21%	0.208	16%	0.159	C	C	.	.			trans	-80	71.6	-176.1	33.8	-36.6	0	0	0	111.5	M140 G141 S147 L148	M140-P145 HydrophobicContact CG-CB 4.06Å; G141-P145 WeakPolarHBondContact O-CB 3.5Å; P145-S147 VanDerWaalsContact C-N 3.32Å; P145-S147 PolarHBondContact O-N 2.76Å; P145-L148 HydrophobicContact CB-CB 3.75Å; P145-L148 HydrophobicContact CB-CD2 4Å; P145-L148 HydrophobicContact CB-CG 4.49Å; P145-L148 HydrophobicContact CG-CB 4.29Å; P145-L148 HydrophobicContact CG-CD2 3.89Å; P145-L148 VanDerWaalsContact O-CB 3.27Å; P145-L148 WeakPolarHBondContact O-CB 3.24Å; P145-L148 PolarHBondContact O-N 2.93Å; P145-L148 VanDerWaalsContact O-N 3.08Å
146	Q	98.1	Very high	97.4	Very high	84 Å²	84	37 Å²	37	39%	0.393	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-40	-170.7	-69.9	-68.8	-31.4	0	0	113.6	N144 L148 A374 Y398	N144-Q146 VanDerWaalsContact C-N 3.29Å; N144-Q146 PolarHBondContact O-N 3.4Å; N144-Q146 WeakPolarHBondContact OD1-CG 3.39Å; N144-Q146 PolarHBondContact OD1-NE2 2.89Å; Q146-L148 PolarHBondContact O-N 3.22Å; Q146-A374 PolarHBondContact N-O 2.89Å; Q146-Y398 HydrophobicContact CB-CD1 4.04Å; Q146-Y398 HydrophobicContact CB-CD2 4.04Å; Q146-Y398 HydrophobicContact CB-CG 3.68Å; Q146-Y398 HydrophobicContact CG-CD1 4Å; Q146-Y398 HydrophobicContact CG-CD2 3.58Å; Q146-Y398 HydrophobicContact CG-CE1 4.21Å; Q146-Y398 HydrophobicContact CG-CE2 3.77Å; Q146-Y398 HydrophobicContact CG-CG 3.69Å
147	S	98.4	Very high	97.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-13.3	-179.9	-59.9	0	0	0	0	114.3	P145 A149 R150 L151 A374 G399 D418	P145-S147 VanDerWaalsContact C-N 3.32Å; P145-S147 PolarHBondContact O-N 2.76Å; S147-A149 PolarHBondContact O-N 3.06Å; S147-R150 PolarHBondContact O-N 3.15Å; S147-L151 WeakPolarHBondContact O-CG 3.35Å; S147-L151 PolarHBondContact O-N 3.28Å; S147-A374 WeakPolarHBondContact CB-O 3.38Å; S147-A374 PolarHBondContact N-O 3.45Å; S147-A374 WeakPolarHBondContact OG-CA 3.42Å; S147-A374 PolarHBondContact OG-O 3.07Å; S147-G399 WeakPolarHBondContact OG-CA 3.42Å; S147-G399 PolarHBondContact OG-O 2.75Å; S147-G399 VanDerWaalsContact OG-O 3.08Å; S147-D418 WeakPolarHBondContact CA-OD2 3.18Å; S147-D418 PolarHBondContact OG-OD2 3.11Å
148	L	98.4	Very high	97.2	Very high	16 Å²	16	43.8 Å²	43.8	8%	0.084	23%	0.234	C	C	.	.	H	α-helix	trans	-60.1	-46.8	-168.5	174.9	67.8	0	0	0	113	M140 P145 Q146 R150 L151 Q152 Q187 I191	M140-L148 HydrophobicContact CE-CD1 4.3Å; M140-L148 HydrophobicContact SD-CB 4.09Å; M140-L148 HydrophobicContact SD-CD1 4.25Å; P145-L148 HydrophobicContact CB-CB 3.75Å; P145-L148 HydrophobicContact CB-CD2 4Å; P145-L148 HydrophobicContact CB-CG 4.49Å; P145-L148 HydrophobicContact CG-CB 4.29Å; P145-L148 HydrophobicContact CG-CD2 3.89Å; P145-L148 VanDerWaalsContact O-CB 3.27Å; P145-L148 WeakPolarHBondContact O-CB 3.24Å; P145-L148 PolarHBondContact O-N 2.93Å; P145-L148 VanDerWaalsContact O-N 3.08Å; Q146-L148 PolarHBondContact O-N 3.22Å; L148-R150 PolarHBondContact O-N 2.86Å; L148-L151 PolarHBondContact O-N 2.86Å; L148-Q152 HydrophobicContact CD1-CG 4.02Å; L148-Q152 HydrophobicContact CG-CG 4.26Å; L148-Q152 WeakPolarHBondContact O-CB 3.26Å; L148-Q152 WeakPolarHBondContact O-CG 3.46Å; L148-Q152 PolarHBondContact O-N 3.39Å; L148-Q187 HydrophobicContact CD2-CB 4.11Å; L148-I191 HydrophobicContact CD1-CD1 3.76Å
149	A	98.1	Very high	97.2	Very high	70 Å²	70	46.8 Å²	46.8	58%	0.579	25%	0.249	S	C	*	.	H	α-helix	trans	-61	-35.6	-176.7	0	0	0	0	0	112.2	S147 K153	S147-A149 PolarHBondContact O-N 3.06Å; A149-K153 PolarHBondContact O-N 3Å
150	R	98.4	Very high	97.2	Very high	56 Å²	56	47.2 Å²	47.2	21%	0.211	25%	0.251	C	S	.	.	H	α-helix	trans	-75	-46.5	177	-169.4	173.3	-47.8	-56	-17	111.4	S147 L148 Q152 K153 E154 Y400 D418	S147-R150 PolarHBondContact O-N 3.15Å; L148-R150 PolarHBondContact O-N 2.86Å; R150-Q152 VanDerWaalsContact C-N 3.26Å; R150-Q152 PolarHBondContact O-N 2.79Å; R150-K153 PolarHBondContact O-N 2.87Å; R150-K153 VanDerWaalsContact O-N 3.16Å; R150-E154 WeakPolarHBondContact CD-OE1 3.31Å; R150-E154 HydrophobicContact CG-CG 4.08Å; R150-E154 WeakPolarHBondContact CG-OE1 3.44Å; R150-E154 WeakPolarHBondContact O-CB 3.48Å; R150-E154 VanDerWaalsContact O-CG 3.32Å; R150-E154 WeakPolarHBondContact O-CG 3.45Å; R150-E154 PolarHBondContact O-N 2.88Å; R150-Y400 HydrophobicContact CB-CE1 4.24Å; R150-Y400 WeakPolarHBondContact CD-OH 3.48Å; R150-Y400 HydrophobicContact CG-CE1 4.17Å; R150-Y400 WeakPolarHBondContact CG-OH 3.24Å; R150-D418 IonicContact CZ-OD1 3.56Å; R150-D418 IonicContact NE-OD1 3.79Å; R150-D418 PolarHBondContact NE-OD1 3.36Å; R150-D418 IonicContact NH2-OD1 3.94Å; R150-D418 PolarHBondContact NH2-OD1 3.41Å
151	L	98.7	Very high	97.3	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.7	-40.6	176.9	-71.9	167.2	0	0	0	111.9	A135 Y137 M140 S147 L148 T155 I191 Y400	A135-L151 HydrophobicContact CB-CD2 3.78Å; Y137-L151 HydrophobicContact CD1-CD1 3.87Å; Y137-L151 HydrophobicContact CD1-CD2 4.04Å; Y137-L151 HydrophobicContact CE1-CD1 3.48Å; Y137-L151 VanDerWaalsContact CE1-CD1 3.48Å; Y137-L151 HydrophobicContact CE1-CD2 3.7Å; Y137-L151 HydrophobicContact CE1-CG 4.23Å; Y137-L151 HydrophobicContact CE2-CD1 4.2Å; Y137-L151 HydrophobicContact CG-CD1 4.39Å; M140-L151 HydrophobicContact SD-CD1 4.11Å; S147-L151 WeakPolarHBondContact O-CG 3.35Å; S147-L151 PolarHBondContact O-N 3.28Å; L148-L151 PolarHBondContact O-N 2.86Å; L151-T155 WeakPolarHBondContact O-CB 3.37Å; L151-T155 PolarHBondContact O-N 2.86Å; L151-T155 PolarHBondContact O-OG1 2.8Å; L151-I191 HydrophobicContact CB-CD1 3.62Å; L151-I191 HydrophobicContact CB-CG1 4.47Å; L151-Y400 HydrophobicContact CD2-CD1 4.17Å; L151-Y400 HydrophobicContact CD2-CD2 3.75Å; L151-Y400 HydrophobicContact CD2-CE1 4.2Å; L151-Y400 HydrophobicContact CD2-CE2 3.79Å; L151-Y400 HydrophobicContact CD2-CG 3.94Å; L151-Y400 HydrophobicContact CG-CD1 4.23Å; L151-Y400 HydrophobicContact CG-CE1 4.23Å; L151-Y400 HydrophobicContact CG-CG 4.44Å
152	Q	98.6	Very high	97.5	Very high	55 Å²	55	49 Å²	49	26%	0.257	26%	0.26	S	S	.	.	H	α-helix	trans	-58.2	-56	173.1	-75.7	174.1	-17.8	0	0	111.5	L148 R150 E154 T155 Q156 S190 I191	L148-Q152 HydrophobicContact CD1-CG 4.02Å; L148-Q152 HydrophobicContact CG-CG 4.26Å; L148-Q152 WeakPolarHBondContact O-CB 3.26Å; L148-Q152 WeakPolarHBondContact O-CG 3.46Å; L148-Q152 PolarHBondContact O-N 3.39Å; R150-Q152 VanDerWaalsContact C-N 3.26Å; R150-Q152 PolarHBondContact O-N 2.79Å; Q152-E154 VanDerWaalsContact C-N 3.33Å; Q152-E154 PolarHBondContact O-N 3Å; Q152-T155 PolarHBondContact O-N 3.1Å; Q152-Q156 WeakPolarHBondContact O-CB 3.49Å; Q152-Q156 VanDerWaalsContact O-CG 3.28Å; Q152-Q156 WeakPolarHBondContact O-CG 3.1Å; Q152-Q156 PolarHBondContact O-N 3.2Å; Q152-S190 VanDerWaalsContact CG-OG 3.26Å; Q152-S190 WeakPolarHBondContact CG-OG 3.42Å; Q152-S190 PolarHBondContact NE2-OG 3.33Å; Q152-I191 HydrophobicContact CB-CG1 4.45Å; Q152-I191 HydrophobicContact CG-CD1 4.02Å; Q152-I191 HydrophobicContact CG-CG1 3.9Å
153	K	98.3	Very high	97.7	Very high	137 Å²	137	47.8 Å²	47.8	60%	0.596	25%	0.254	S	S	*	.	H	α-helix	trans	-58.9	-45.6	-178.4	-179.1	-177.8	177	-175.2	0	111.7	A149 R150 Q156 V157	A149-K153 PolarHBondContact O-N 3Å; R150-K153 PolarHBondContact O-N 2.87Å; R150-K153 VanDerWaalsContact O-N 3.16Å; K153-Q156 PolarHBondContact O-N 3.41Å; K153-V157 WeakPolarHBondContact O-CG2 3.35Å; K153-V157 PolarHBondContact O-N 3.3Å
154	E	98.4	Very high	97.9	Very high	18 Å²	18	41.7 Å²	41.7	8%	0.084	23%	0.225	C	C	.	.	H	α-helix	trans	-73.7	-36.6	-173.7	-68.8	-173.2	-178.5	0	0	112.4	R150 Q152 V157 G158 M159 Y160 Y400 R402	R150-E154 WeakPolarHBondContact CD-OE1 3.31Å; R150-E154 HydrophobicContact CG-CG 4.08Å; R150-E154 WeakPolarHBondContact CG-OE1 3.44Å; R150-E154 WeakPolarHBondContact O-CB 3.48Å; R150-E154 VanDerWaalsContact O-CG 3.32Å; R150-E154 WeakPolarHBondContact O-CG 3.45Å; R150-E154 PolarHBondContact O-N 2.88Å; Q152-E154 VanDerWaalsContact C-N 3.33Å; Q152-E154 PolarHBondContact O-N 3Å; E154-V157 PolarHBondContact O-N 3.48Å; E154-G158 PolarHBondContact O-N 3.23Å; E154-M159 HydrophobicContact CB-CB 4.16Å; E154-M159 HydrophobicContact CB-CG 4.23Å; E154-M159 HydrophobicContact CB-SD 3.66Å; E154-M159 HydrophobicContact CG-CE 4.4Å; E154-M159 HydrophobicContact CG-SD 3.48Å; E154-M159 WeakPolarHBondContact CG-SD 3.42Å; E154-M159 VanDerWaalsContact O-CB 3.29Å; E154-M159 WeakPolarHBondContact O-CB 3.3Å; E154-M159 PolarHBondContact O-N 3.33Å; E154-Y160 HydrophobicContact CB-CD2 4.4Å; E154-Y160 HydrophobicContact CB-CE2 3.53Å; E154-Y160 PolarHBondContact OE2-OH 2.83Å; E154-Y400 PolarHBondContact OE1-OH 3.01Å; E154-Y400 PolarHBondContact OE2-OH 2.95Å; E154-R402 IonicContact OE1-CZ 3.55Å; E154-R402 IonicContact OE1-NH2 2.72Å; E154-R402 PolarHBondContact OE1-NH2 3.45Å; E154-R402 IonicContact OE2-CZ 2.82Å; E154-R402 IonicContact OE2-NE 2.83Å; E154-R402 PolarHBondContact OE2-NE 2.99Å; E154-R402 VanDerWaalsContact OE2-NE 3.17Å; E154-R402 IonicContact OE2-NH2 2.67Å; E154-R402 PolarHBondContact OE2-NH2 2.8Å
155	T	98.4	Very high	98	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.043	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-48.8	169.1	-61.6	0	0	0	0	111	L151 Q152 V157 G158 I191 V195	L151-T155 WeakPolarHBondContact O-CB 3.37Å; L151-T155 PolarHBondContact O-N 2.86Å; L151-T155 PolarHBondContact O-OG1 2.8Å; Q152-T155 PolarHBondContact O-N 3.1Å; T155-V157 VanDerWaalsContact C-N 3.27Å; T155-V157 PolarHBondContact O-N 3.2Å; T155-G158 PolarHBondContact O-N 2.91Å; T155-I191 HydrophobicContact CG2-CG2 4.16Å; T155-V195 HydrophobicContact CG2-CB 4.49Å; T155-V195 HydrophobicContact CG2-CG1 4.01Å; T155-V195 HydrophobicContact CG2-CG2 3.66Å
156	Q	95.1	Very high	98.2	Very high	120 Å²	120	38.8 Å²	38.8	56%	0.561	21%	0.208	S	C	*	.	H	α-helix	trans	-66.3	-24.9	-176.4	-74.1	-179.8	-10	0	0	114.2	Q152 K153 G158	Q152-Q156 WeakPolarHBondContact O-CB 3.49Å; Q152-Q156 VanDerWaalsContact O-CG 3.28Å; Q152-Q156 WeakPolarHBondContact O-CG 3.1Å; Q152-Q156 PolarHBondContact O-N 3.2Å; K153-Q156 PolarHBondContact O-N 3.41Å; Q156-G158 VanDerWaalsContact C-N 3.34Å
157	V	96.6	Very high	98.2	Very high	103 Å²	103	34.8 Å²	34.8	62%	0.624	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.5	9.9	173.5	-54.5	0	0	0	0	113.1	K153 E154 T155 M159	K153-V157 WeakPolarHBondContact O-CG2 3.35Å; K153-V157 PolarHBondContact O-N 3.3Å; E154-V157 PolarHBondContact O-N 3.48Å; T155-V157 VanDerWaalsContact C-N 3.27Å; T155-V157 PolarHBondContact O-N 3.2Å; V157-M159 HydrophobicContact CG2-CG 3.87Å; V157-M159 HydrophobicContact CG2-SD 4.25Å
158	G	96.6	Very high	98.2	Very high	38 Å²	38	34.9 Å²	34.9	39%	0.392	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	29.5	172.2	0	0	0	0	0	114.8	R133 E154 T155 Q156 Y160	R133-G158 PolarHBondContact NH1-O 3.1Å; R133-G158 PolarHBondContact NH2-O 3.13Å; E154-G158 PolarHBondContact O-N 3.23Å; T155-G158 PolarHBondContact O-N 2.91Å; Q156-G158 VanDerWaalsContact C-N 3.34Å; G158-Y160 VanDerWaalsContact C-N 3.32Å
159	M	98.2	Very high	98.2	Very high	64 Å²	64	34.1 Å²	34.1	32%	0.315	19%	0.186	S	C	.	.			trans	-72.8	-25.6	177.2	-69.6	-172.9	58.8	0	0	113.4	R133 E154 V157	R133-M159 VanDerWaalsContact CZ-O 3.29Å; R133-M159 PolarHBondContact NE-O 2.83Å; R133-M159 PolarHBondContact NH1-O 3.02Å; E154-M159 HydrophobicContact CB-CB 4.16Å; E154-M159 HydrophobicContact CB-CG 4.23Å; E154-M159 HydrophobicContact CB-SD 3.66Å; E154-M159 HydrophobicContact CG-CE 4.4Å; E154-M159 HydrophobicContact CG-SD 3.48Å; E154-M159 WeakPolarHBondContact CG-SD 3.42Å; E154-M159 VanDerWaalsContact O-CB 3.29Å; E154-M159 WeakPolarHBondContact O-CB 3.3Å; E154-M159 PolarHBondContact O-N 3.33Å; V157-M159 HydrophobicContact CG2-CG 3.87Å; V157-M159 HydrophobicContact CG2-SD 4.25Å
160	Y	98.6	Very high	98.2	Very high	9 Å²	9	30.8 Å²	30.8	4%	0.035	16%	0.159	C	C	.	.			trans	-118.8	145.4	-175.2	-53.5	-56.4	0	0	0	111.6	A135 E154 G158 I163 Y400 R402	A135-Y160 HydrophobicContact CB-CD1 3.99Å; A135-Y160 HydrophobicContact CB-CD2 4.1Å; A135-Y160 HydrophobicContact CB-CE1 3.83Å; A135-Y160 HydrophobicContact CB-CE2 3.95Å; A135-Y160 HydrophobicContact CB-CG 4.13Å; E154-Y160 HydrophobicContact CB-CD2 4.4Å; E154-Y160 HydrophobicContact CB-CE2 3.53Å; E154-Y160 PolarHBondContact OE2-OH 2.83Å; G158-Y160 VanDerWaalsContact C-N 3.32Å; Y160-I163 HydrophobicContact CD2-CD1 4.07Å; Y160-I163 HydrophobicContact CG-CD1 4.26Å; Y160-Y400 VanDerWaalsContact OH-CE2 3.3Å; Y160-Y400 WeakPolarHBondContact OH-CE2 3.37Å; Y160-R402 HydrophobicContact CE1-CG 3.98Å; Y160-R402 WeakPolarHBondContact OH-CD 3.45Å; Y160-R402 WeakPolarHBondContact OH-CG 3.48Å; Y160-R402 PolarHBondContact OH-NE 2.85Å
161	D	98.5	Very high	98.1	Very high	38 Å²	38	28.2 Å²	28.2	20%	0.203	15%	0.149	C	C	.	.	S	Bend	trans	-100.5	-23.1	171.5	-50.2	-59.2	0	0	0	110.5	W130 R133 P196	W130-D161 HydrophobicContact CH2-CB 3.81Å; W130-D161 HydrophobicContact CZ3-CB 3.93Å; R133-D161 WeakPolarHBondContact CB-OD2 3.34Å; R133-D161 IonicContact CZ-OD1 3.16Å; R133-D161 IonicContact CZ-OD2 3.51Å; R133-D161 PolarHBondContact N-OD2 3.11Å; R133-D161 IonicContact NE-OD1 3.52Å; R133-D161 IonicContact NE-OD2 2.7Å; R133-D161 PolarHBondContact NE-OD2 3.41Å; R133-D161 VanDerWaalsContact NE-OD2 3.07Å; R133-D161 IonicContact NH2-OD1 3.45Å; R133-D161 PolarHBondContact NH2-OD1 2.89Å; R133-D161 IonicContact NH2-OD2 2.97Å; R133-D161 PolarHBondContact O-N 3.09Å; D161-P196 WeakPolarHBondContact O-CD 3.25Å
162	V	98.5	Very high	98	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	149	-176.8	178.8	0	0	0	0	109.7	L124 R133 F134 A135 L164 M198 W230	L124-V162 HydrophobicContact CD2-CG2 4.19Å; R133-V162 PolarHBondContact O-N 3.11Å; F134-V162 VanDerWaalsContact CA-O 3.3Å; F134-V162 WeakPolarHBondContact CA-O 3.44Å; F134-V162 HydrophobicContact CD1-CB 3.55Å; F134-V162 HydrophobicContact CD1-CG1 3.72Å; F134-V162 HydrophobicContact CD1-CG2 4.26Å; F134-V162 HydrophobicContact CE1-CB 3.76Å; F134-V162 HydrophobicContact CE1-CG1 3.91Å; F134-V162 HydrophobicContact CE1-CG2 3.97Å; F134-V162 HydrophobicContact CG-CB 4.45Å; A135-V162 PolarHBondContact N-O 3.23Å; V162-L164 HydrophobicContact CG1-CD2 3.89Å; V162-M198 HydrophobicContact CG1-CG 4Å; V162-W230 HydrophobicContact CB-CH2 4.34Å; V162-W230 HydrophobicContact CG1-CH2 3.6Å; V162-W230 HydrophobicContact CG1-CZ2 3.88Å; V162-W230 HydrophobicContact CG2-CH2 3.76Å; V162-W230 HydrophobicContact CG2-CZ3 4.48Å
163	I	98.9	Very high	98	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	135.2	165.9	-56.4	-66.1	0	0	0	109.4	A135 Y137 Y160 I191 V195 P196 Y197 M198	A135-I163 HydrophobicContact CB-CD1 3.6Å; Y137-I163 HydrophobicContact CE1-CG2 3.67Å; Y137-I163 WeakPolarHBondContact OH-CG2 3.42Å; Y160-I163 HydrophobicContact CD2-CD1 4.07Å; Y160-I163 HydrophobicContact CG-CD1 4.26Å; I163-I191 HydrophobicContact CD1-CG2 4.11Å; I163-I191 HydrophobicContact CG1-CG2 3.8Å; I163-V195 HydrophobicContact CD1-CG2 4.23Å; I163-V195 HydrophobicContact CG1-CG2 3.52Å; I163-P196 PolarHBondContact N-O 3.11Å; I163-Y197 HydrophobicContact CB-CD2 3.83Å; I163-Y197 HydrophobicContact CB-CE2 4.22Å; I163-Y197 HydrophobicContact CB-CG 4.37Å; I163-Y197 HydrophobicContact CG1-CD2 4.16Å; I163-Y197 HydrophobicContact CG2-CD2 3.78Å; I163-Y197 HydrophobicContact CG2-CE2 3.66Å; I163-Y197 HydrophobicContact CG2-CG 4.4Å; I163-M198 PolarHBondContact O-N 3.15Å
164	L	98.9	Very high	98	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	105	168.2	-53.5	-174.5	0	0	0	108.5	F134 A135 V136 Y137 V162 M198 W230 M284 L333 M403	F134-L164 HydrophobicContact CD1-CD1 4.18Å; F134-L164 HydrophobicContact CD1-CD2 4.27Å; F134-L164 HydrophobicContact CD1-CG 4.05Å; A135-L164 PolarHBondContact O-N 2.86Å; V136-L164 WeakPolarHBondContact CA-O 3.39Å; V136-L164 HydrophobicContact CB-CB 4.48Å; V136-L164 HydrophobicContact CG1-CB 4.2Å; V136-L164 HydrophobicContact CG2-CB 4.21Å; V136-L164 HydrophobicContact CG2-CD1 4.01Å; V136-L164 HydrophobicContact CG2-CG 4.31Å; Y137-L164 PolarHBondContact N-O 3.39Å; Y137-L164 VanDerWaalsContact N-O 3.11Å; V162-L164 HydrophobicContact CG1-CD2 3.89Å; L164-M198 CarbonylContact C-O 3.56Å; L164-M198 WeakPolarHBondContact CA-O 3.35Å; L164-M198 HydrophobicContact CD2-CB 3.92Å; L164-M198 HydrophobicContact CD2-CG 4.47Å; L164-W230 HydrophobicContact CD2-CZ2 4.17Å; L164-M284 HydrophobicContact CB-CE 4.44Å; L164-M284 HydrophobicContact CB-SD 4.11Å; L164-M284 HydrophobicContact CD1-SD 4.39Å; L164-M284 HydrophobicContact CD2-SD 4.16Å; L164-M284 HydrophobicContact CG-SD 4.44Å; L164-L333 HydrophobicContact CD1-CD1 3.98Å; L164-M403 HydrophobicContact CD1-CE 4.15Å
165	H	98.9	Very high	98	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	107.6	174.3	-165.9	164.7	0	0	0	110	Y137 G167 F169 F184 Y197 M198 T199 C200	Y137-H165 AromaticContact CD2-CD2 3.94Å; Y137-H165 HydrophobicContact CE2-CB 4.15Å; Y137-H165 AromaticContact CE2-CD2 3.9Å; Y137-H165 AromaticContact CE2-CE1 3.83Å; Y137-H165 AromaticContact CE2-CG 3.61Å; Y137-H165 AromaticContact CE2-ND1 3.57Å; Y137-H165 AromaticContact CE2-NE2 3.99Å; Y137-H165 CarbonylContact O-C 3.57Å; Y137-H165 VanDerWaalsContact O-CA 3.23Å; Y137-H165 WeakPolarHBondContact O-CA 3.49Å; Y137-H165 PolarHBondContact O-CD2 2.94Å; H165-G167 VanDerWaalsContact C-N 3.35Å; H165-G167 PolarHBondContact O-N 2.86Å; H165-G167 VanDerWaalsContact O-N 3.16Å; H165-F169 HydrophobicContact CB-CE1 3.79Å; H165-F169 HydrophobicContact CB-CZ 4.23Å; H165-F169 AromaticContact CD2-CE1 3.77Å; H165-F169 AromaticContact CE1-CD1 3.41Å; H165-F169 VanDerWaalsContact CE1-CD1 3.41Å; H165-F169 WeakPolarHBondContact CE1-CD1 3.23Å; H165-F169 AromaticContact CE1-CE1 3.61Å; H165-F169 AromaticContact CG-CD1 3.97Å; H165-F169 AromaticContact CG-CE1 3.32Å; H165-F169 AromaticContact CG-CZ 3.98Å; H165-F169 AromaticContact ND1-CD1 3.43Å; H165-F169 WeakPolarHBondContact ND1-CD1 3.34Å; H165-F169 AromaticContact ND1-CE1 3.21Å; H165-F169 WeakPolarHBondContact ND1-CE1 3.39Å; H165-F169 AromaticContact NE2-CD1 3.95Å; H165-F169 AromaticContact NE2-CE1 3.98Å; H165-F184 AromaticContact CE1-CZ 3.75Å; H165-Y197 HydrophobicContact CB-CD1 4.31Å; H165-Y197 HydrophobicContact CB-CE1 3.44Å; H165-Y197 VanDerWaalsContact CB-CE1 3.44Å; H165-Y197 AromaticContact CG-CE1 3.96Å; H165-Y197 AromaticContact ND1-CE1 3.66Å; H165-Y197 AromaticContact ND1-CZ 3.56Å; H165-Y197 PolarHBondContact ND1-OH 3.14Å; H165-M198 PolarHBondContact N-O 2.94Å; H165-T199 HydrophobicContact CB-CG2 4.36Å; H165-T199 WeakPolarHBondContact O-CA 3.3Å; H165-C200 PolarHBondContact O-N 3.35Å
166	V	98.8	Very high	97.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	58.9	-167.5	-163.2	0	0	0	0	111.6	V136 Y137 C200 M284 G285 H286 A335	V136-V166 HydrophobicContact CG1-CG2 3.94Å; Y137-V166 PolarHBondContact O-N 3.5Å; V166-C200 VanDerWaalsContact C-SG 3.59Å; V166-C200 VanDerWaalsContact CA-SG 3.56Å; V166-M284 HydrophobicContact CB-CE 4.29Å; V166-M284 HydrophobicContact CG1-CB 4.42Å; V166-M284 HydrophobicContact CG1-CE 4.42Å; V166-M284 HydrophobicContact CG2-CE 3.94Å; V166-G285 WeakPolarHBondContact CG1-O 3.29Å; V166-H286 PolarHBondContact O-ND1 2.78Å; V166-A335 HydrophobicContact CB-CB 3.93Å; V166-A335 HydrophobicContact CG1-CB 4.03Å; V166-A335 VanDerWaalsContact O-CB 3.31Å; V166-A335 WeakPolarHBondContact O-CB 3.32Å
167	G	98.4	Very high	98.1	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	79.2	170.4	172.7	0	0	0	0	0	116.1	D139 H165 C200	D139-G167 PolarHBondContact N-O 2.95Å; H165-G167 VanDerWaalsContact C-N 3.35Å; H165-G167 PolarHBondContact O-N 2.86Å; H165-G167 VanDerWaalsContact O-N 3.16Å; G167-C200 WeakPolarHBondContact CA-O 3.49Å; G167-C200 PolarHBondContact N-O 2.72Å
168	D	98.6	Very high	98.1	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.005	10%	0.102	C	C	.	.			trans	57.2	79.6	-177.7	-74.8	-4.1	0	0	0	113.7	Y171 G202 N203 H204 E205 H286 H336	D168-Y171 HydrophobicContact CB-CE1 4.29Å; D168-Y171 HydrophobicContact CB-CE2 3.71Å; D168-Y171 VanDerWaalsContact CB-OH 3.24Å; D168-Y171 WeakPolarHBondContact CB-OH 3.46Å; D168-Y171 WeakPolarHBondContact O-CE2 3.3Å; D168-G202 VanDerWaalsContact OD1-CA 3.28Å; D168-G202 WeakPolarHBondContact OD1-CA 3.23Å; D168-N203 PolarHBondContact OD1-N 3.13Å; D168-N203 PolarHBondContact OD2-OD1 2.98Å; D168-H204 HydrophobicContact CB-CB 4.39Å; D168-H204 VanDerWaalsContact CG-CD2 3.41Å; D168-H204 IonicContact OD1-CD2 2.7Å; D168-H204 PolarHBondContact OD1-CD2 3.35Å; D168-H204 IonicContact OD1-CG 3.58Å; D168-H204 PolarHBondContact OD1-N 3.33Å; D168-H204 IonicContact OD2-CD2 3.76Å; D168-H204 PolarHBondContact OD2-CD2 2.86Å; D168-E205 WeakPolarHBondContact CA-OE2 3.24Å; D168-E205 PolarHBondContact N-OE2 2.76Å; D168-H286 IonicContact OD1-CD2 3.54Å; D168-H286 IonicContact OD1-CE1 3.38Å; D168-H286 IonicContact OD1-NE2 3.38Å; D168-H286 PolarHBondContact OD1-NE2 3.17Å; D168-H286 IonicContact OD2-CE1 2.86Å; D168-H286 PolarHBondContact OD2-CE1 2.91Å; D168-H286 VanDerWaalsContact OD2-CE1 3.23Å; D168-H286 IonicContact OD2-NE2 3.03Å; D168-H286 PolarHBondContact OD2-NE2 3.37Å; D168-H336 IonicContact OD2-ND1 3.77Å
169	F	98.3	Very high	98.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.097	C	C	.	.			trans	-97.8	140.7	-179.1	-54.5	-93.1	0	0	0	110.5	H165 Y171 M173 F184 Y197 T199 C200 E205 Y213 F217	H165-F169 HydrophobicContact CB-CE1 3.79Å; H165-F169 HydrophobicContact CB-CZ 4.23Å; H165-F169 AromaticContact CD2-CE1 3.77Å; H165-F169 AromaticContact CE1-CD1 3.41Å; H165-F169 VanDerWaalsContact CE1-CD1 3.41Å; H165-F169 WeakPolarHBondContact CE1-CD1 3.23Å; H165-F169 AromaticContact CE1-CE1 3.61Å; H165-F169 AromaticContact CG-CD1 3.97Å; H165-F169 AromaticContact CG-CE1 3.32Å; H165-F169 AromaticContact CG-CZ 3.98Å; H165-F169 AromaticContact ND1-CD1 3.43Å; H165-F169 WeakPolarHBondContact ND1-CD1 3.34Å; H165-F169 AromaticContact ND1-CE1 3.21Å; H165-F169 WeakPolarHBondContact ND1-CE1 3.39Å; H165-F169 AromaticContact NE2-CD1 3.95Å; H165-F169 AromaticContact NE2-CE1 3.98Å; F169-Y171 PolarHBondContact O-N 2.87Å; F169-M173 HydrophobicContact CB-CE 3.28Å; F169-M173 HydrophobicContact CB-CG 4.33Å; F169-M173 HydrophobicContact CB-SD 4.45Å; F169-M173 HydrophobicContact CD1-CE 4.41Å; F169-M173 HydrophobicContact CD2-CE 4.38Å; F169-M173 HydrophobicContact CG-CE 3.81Å; F169-F184 HydrophobicContact CB-CD1 4.21Å; F169-F184 HydrophobicContact CB-CE1 3.77Å; F169-F184 HydrophobicContact CB-CZ 4.09Å; F169-F184 AromaticContact CD1-CE1 3.68Å; F169-F184 HydrophobicContact CD1-CE1 3.68Å; F169-F184 AromaticContact CD1-CZ 3.8Å; F169-F184 HydrophobicContact CD1-CZ 3.8Å; F169-F184 HydrophobicContact CG-CE1 4.17Å; F169-F184 HydrophobicContact CG-CZ 4.43Å; F169-Y197 HydrophobicContact CE1-CE1 4.3Å; F169-T199 HydrophobicContact CE1-CG2 3.79Å; F169-T199 HydrophobicContact CZ-CG2 3.64Å; F169-C200 WeakPolarHBondContact CE2-O 3.46Å; F169-E205 HydrophobicContact CD2-CG 3.88Å; F169-E205 WeakPolarHBondContact CD2-OE2 3.19Å; F169-E205 HydrophobicContact CE2-CG 4.49Å; F169-E205 PolarHBondContact N-OE1 3.37Å; F169-Y213 HydrophobicContact CD2-CD2 4.25Å; F169-Y213 AromaticContact CE2-CD2 3.88Å; F169-Y213 HydrophobicContact CE2-CD2 3.88Å; F169-Y213 AromaticContact CE2-CE2 3.78Å; F169-Y213 HydrophobicContact CE2-CE2 3.78Å; F169-Y213 HydrophobicContact CZ-CE2 4.29Å; F169-F217 HydrophobicContact CD1-CE2 4.2Å; F169-F217 AromaticContact CD1-CZ 3.67Å; F169-F217 HydrophobicContact CD1-CZ 3.67Å; F169-F217 HydrophobicContact CD2-CE2 4.16Å; F169-F217 HydrophobicContact CD2-CZ 4.43Å; F169-F217 HydrophobicContact CE1-CE1 4.3Å; F169-F217 HydrophobicContact CE1-CE2 4.27Å; F169-F217 AromaticContact CE1-CZ 3.75Å; F169-F217 HydrophobicContact CE1-CZ 3.75Å; F169-F217 HydrophobicContact CE2-CE2 4.29Å; F169-F217 HydrophobicContact CG-CE2 4.18Å; F169-F217 HydrophobicContact CG-CZ 4.06Å; F169-F217 HydrophobicContact CZ-CE2 4.38Å; F169-F217 HydrophobicContact CZ-CZ 4.27Å
170	A	97.8	Very high	98.2	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.008	9%	0.089	C	C	.	.	B	Isolated β-bridge	trans	66.3	-40.4	172.1	0	0	0	0	0	116.5	M140 N142 M173 I180 F184	M140-A170 PolarHBondContact O-N 3.03Å; N142-A170 WeakPolarHBondContact CB-O 3.38Å; N142-A170 PolarHBondContact N-O 3.34Å; A170-M173 HydrophobicContact CB-CG 3.94Å; A170-I180 HydrophobicContact CB-CG2 4.07Å; A170-F184 HydrophobicContact CB-CB 3.38Å; A170-F184 HydrophobicContact CB-CD1 4.18Å; A170-F184 HydrophobicContact CB-CD2 4.1Å; A170-F184 HydrophobicContact CB-CG 3.61Å
171	Y	97.2	Very high	98.2	Very high	1 Å²	1	18.1 Å²	18.1	0%	0.004	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	71.9	-172.4	-67.6	-109.6	0	0	0	112.2	D139 G141 D168 F169 H204 H338 C376 R377 E378	D139-Y171 WeakPolarHBondContact CA-OH 3.36Å; D139-Y171 HydrophobicContact CB-CE2 4.47Å; D139-Y171 WeakPolarHBondContact CB-OH 3.25Å; D139-Y171 VanDerWaalsContact CG-OH 3.31Å; D139-Y171 PolarHBondContact OD1-OH 3.19Å; G141-Y171 VanDerWaalsContact CA-CD2 3.47Å; D168-Y171 HydrophobicContact CB-CE1 4.29Å; D168-Y171 HydrophobicContact CB-CE2 3.71Å; D168-Y171 VanDerWaalsContact CB-OH 3.24Å; D168-Y171 WeakPolarHBondContact CB-OH 3.46Å; D168-Y171 WeakPolarHBondContact O-CE2 3.3Å; F169-Y171 PolarHBondContact O-N 2.87Å; Y171-H204 AromaticContact CD1-CD2 3.82Å; Y171-H204 AromaticContact CD1-CE1 3.47Å; Y171-H204 VanDerWaalsContact CD1-CE1 3.47Å; Y171-H204 WeakPolarHBondContact CD1-CE1 3.35Å; Y171-H204 AromaticContact CD1-CG 3.75Å; Y171-H204 AromaticContact CD1-ND1 3.53Å; Y171-H204 AromaticContact CD1-NE2 3.7Å; Y171-H204 AromaticContact CE1-CD2 3.61Å; Y171-H204 AromaticContact CE1-CE1 3.86Å; Y171-H204 AromaticContact CE1-CG 3.98Å; Y171-H204 AromaticContact CE1-NE2 3.58Å; Y171-H338 AromaticContact CE1-NE2 3.87Å; Y171-H338 AromaticContact CZ-NE2 3.77Å; Y171-H338 PolarHBondContact OH-NE2 2.98Å; Y171-C376 HydrophobicContact CD1-CB 4.08Å; Y171-C376 HydrophobicContact CD2-CB 3.64Å; Y171-C376 HydrophobicContact CE1-CB 3.81Å; Y171-C376 HydrophobicContact CE2-CB 3.29Å; Y171-C376 HydrophobicContact CG-CB 4.01Å; Y171-R377 PolarHBondContact O-NE 2.93Å; Y171-R377 VanDerWaalsContact O-NE 3.13Å; Y171-R377 PolarHBondContact O-NH1 3.24Å; Y171-R377 VanDerWaalsContact O-NH1 3.09Å; Y171-R377 PolarHBondContact O-NH2 2.97Å; Y171-E378 HydrophobicContact CD1-CG 4.13Å; Y171-E378 HydrophobicContact CE1-CG 4.33Å
172	D	97.4	Very high	98.2	Very high	24 Å²	24	16.4 Å²	16.4	13%	0.128	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	cis	-126.4	150.3	2.3	-56.1	0.1	0	0	0	108.7	H174 E175 I180 H204 R377	D172-H174 WeakPolarHBondContact CB-ND1 3.41Å; D172-H174 PolarHBondContact O-N 2.96Å; D172-H174 VanDerWaalsContact O-N 3.11Å; D172-H174 IonicContact OD2-CE1 3Å; D172-H174 PolarHBondContact OD2-CE1 2.92Å; D172-H174 IonicContact OD2-ND1 3.64Å; D172-E175 HydrophobicContact CB-CG 4.13Å; D172-E175 WeakPolarHBondContact O-CB 3.21Å; D172-E175 PolarHBondContact O-N 2.87Å; D172-E175 VanDerWaalsContact O-N 3.11Å; D172-I180 WeakPolarHBondContact O-CG2 3.23Å; D172-H204 IonicContact OD1-CE1 2.69Å; D172-H204 IonicContact OD1-CG 3.24Å; D172-H204 IonicContact OD1-ND1 2.76Å; D172-H204 PolarHBondContact OD1-ND1 3.04Å; D172-H204 IonicContact OD2-ND1 3.32Å; D172-R377 IonicContact OD1-NH2 3.82Å; D172-R377 PolarHBondContact OD1-NH2 2.9Å; D172-R377 VanDerWaalsContact OD1-NH2 3.14Å
173	M	98.1	Very high	98.2	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.01	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-34	-176.4	-71.1	-161.5	165.9	0	0	114.2	F169 A170 E175 G178 G181 F184 M185 N212 F217	F169-M173 HydrophobicContact CB-CE 3.28Å; F169-M173 HydrophobicContact CB-CG 4.33Å; F169-M173 HydrophobicContact CB-SD 4.45Å; F169-M173 HydrophobicContact CD1-CE 4.41Å; F169-M173 HydrophobicContact CD2-CE 4.38Å; F169-M173 HydrophobicContact CG-CE 3.81Å; A170-M173 HydrophobicContact CB-CG 3.94Å; M173-E175 VanDerWaalsContact C-N 3.32Å; M173-G178 VanDerWaalsContact O-CA 3.29Å; M173-G178 WeakPolarHBondContact O-CA 3.43Å; M173-G181 WeakPolarHBondContact O-CA 3.29Å; M173-G181 PolarHBondContact O-N 3.47Å; M173-G181 VanDerWaalsContact O-N 3.11Å; M173-F184 HydrophobicContact CE-CD1 3.96Å; M173-F184 HydrophobicContact CE-CE1 4.18Å; M173-M185 HydrophobicContact CE-SD 4.26Å; M173-N212 HydrophobicContact CB-CB 3.73Å; M173-N212 HydrophobicContact SD-CB 4.09Å; M173-F217 HydrophobicContact CE-CE2 3.39Å; M173-F217 HydrophobicContact CE-CZ 3.59Å; M173-F217 HydrophobicContact SD-CE2 4.3Å
174	H	98	Very high	98.2	Very high	39 Å²	39	20.5 Å²	20.5	18%	0.181	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.2	-175.9	78.7	-86.9	0	0	0	113.4	D172 N177 G178 E207 Y208	D172-H174 WeakPolarHBondContact CB-ND1 3.41Å; D172-H174 PolarHBondContact O-N 2.96Å; D172-H174 VanDerWaalsContact O-N 3.11Å; D172-H174 IonicContact OD2-CE1 3Å; D172-H174 PolarHBondContact OD2-CE1 2.92Å; D172-H174 IonicContact OD2-ND1 3.64Å; H174-N177 PolarHBondContact O-N 3.17Å; H174-G178 PolarHBondContact O-N 3.38Å; H174-E207 HydrophobicContact CB-CB 4.17Å; H174-E207 HydrophobicContact CB-CG 4.17Å; H174-E207 WeakPolarHBondContact ND1-CB 3.48Å; H174-Y208 HydrophobicContact CB-CD2 4.33Å; H174-Y208 HydrophobicContact CB-CE2 3.98Å
175	E	98.1	Very high	98.1	Very high	55 Å²	55	20.6 Å²	20.6	26%	0.257	10%	0.098	S	C	.	.	H	α-helix	trans	-62.7	151	-176.9	-76.8	-176.2	178.4	0	0	112.1	D172 M173 N177 G178 R179 I180 R377	D172-E175 HydrophobicContact CB-CG 4.13Å; D172-E175 WeakPolarHBondContact O-CB 3.21Å; D172-E175 PolarHBondContact O-N 2.87Å; D172-E175 VanDerWaalsContact O-N 3.11Å; M173-E175 VanDerWaalsContact C-N 3.32Å; E175-N177 PolarHBondContact O-N 2.93Å; E175-G178 PolarHBondContact O-N 2.88Å; E175-G178 VanDerWaalsContact O-N 3.17Å; E175-R179 PolarHBondContact O-N 3.48Å; E175-I180 HydrophobicContact CB-CB 4.14Å; E175-I180 HydrophobicContact CB-CG1 3.73Å; E175-I180 PolarHBondContact O-N 2.86Å; E175-R377 VanDerWaalsContact CD-NH1 3.33Å; E175-R377 IonicContact OE1-CZ 3.88Å; E175-R377 IonicContact OE1-NH1 2.91Å; E175-R377 PolarHBondContact OE1-NH1 3.28Å; E175-R377 VanDerWaalsContact OE1-NH1 3.13Å; E175-R377 IonicContact OE1-NH2 3.3Å; E175-R377 PolarHBondContact OE1-NH2 3.38Å; E175-R377 IonicContact OE2-CZ 2.82Å; E175-R377 IonicContact OE2-NH1 2.73Å; E175-R377 PolarHBondContact OE2-NH1 3.36Å; E175-R377 IonicContact OE2-NH2 2.73Å
176	D	97.7	Very high	98.1	Very high	87 Å²	87	24.3 Å²	24.3	47%	0.465	11%	0.112	S	C	.	.	H	α-helix	trans	49.9	46.5	-171	-172.7	11.5	0	0	0	112	G178 R179 I180	D176-G178 VanDerWaalsContact C-N 3.28Å; D176-G178 PolarHBondContact O-N 3.43Å; D176-R179 HydrophobicContact CB-CB 4.04Å; D176-R179 WeakPolarHBondContact O-CB 3.42Å; D176-R179 VanDerWaalsContact O-CG 3.24Å; D176-R179 WeakPolarHBondContact O-CG 3.49Å; D176-R179 PolarHBondContact O-N 2.8Å; D176-R179 VanDerWaalsContact O-N 3.09Å; D176-R179 PolarHBondContact O-NH1 2.85Å; D176-R179 IonicContact OD1-CZ 3.47Å; D176-R179 IonicContact OD1-NH1 2.67Å; D176-R179 PolarHBondContact OD1-NH1 2.82Å; D176-R179 VanDerWaalsContact OD2-CD 3.29Å; D176-R179 WeakPolarHBondContact OD2-CD 3.34Å; D176-I180 HydrophobicContact CB-CG1 4.26Å
177	N	97.6	Very high	98.1	Very high	24 Å²	24	26.8 Å²	26.8	13%	0.128	12%	0.124	C	C	.	.	H	α-helix	trans	53.6	43.7	-179.6	-51.2	-97.7	0	0	0	111.9	D81 S84 E85 R87 H174 E175	D81-N177 WeakPolarHBondContact OD1-CA 3.43Å; S84-N177 PolarHBondContact N-OD1 2.51Å; S84-N177 PolarHBondContact OG-OD1 2.74Å; S84-N177 VanDerWaalsContact OG-OD1 3.08Å; E85-N177 HydrophobicContact CB-CB 4.08Å; E85-N177 HydrophobicContact CG-CB 4.32Å; E85-N177 PolarHBondContact N-OD1 2.59Å; E85-N177 PolarHBondContact OE1-ND2 2.6Å; R87-N177 VanDerWaalsContact CD-O 3.29Å; R87-N177 WeakPolarHBondContact CD-O 3.29Å; R87-N177 HydrophobicContact CG-CB 4.36Å; R87-N177 PolarHBondContact NH1-O 2.82Å; H174-N177 PolarHBondContact O-N 3.17Å; E175-N177 PolarHBondContact O-N 2.93Å
178	G	97.6	Very high	98.1	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	86.3	-0.9	-179.9	0	0	0	0	0	115.7	M173 H174 E175 D176 G181 D182 R216	M173-G178 VanDerWaalsContact O-CA 3.29Å; M173-G178 WeakPolarHBondContact O-CA 3.43Å; H174-G178 PolarHBondContact O-N 3.38Å; E175-G178 PolarHBondContact O-N 2.88Å; E175-G178 VanDerWaalsContact O-N 3.17Å; D176-G178 VanDerWaalsContact C-N 3.28Å; D176-G178 PolarHBondContact O-N 3.43Å; G178-G181 PolarHBondContact O-N 3.3Å; G178-D182 VanDerWaalsContact O-CG 3.3Å; G178-D182 PolarHBondContact O-N 2.94Å; G178-D182 VanDerWaalsContact O-N 3.1Å; G178-R216 PolarHBondContact O-NH2 2.88Å; G178-R216 VanDerWaalsContact O-NH2 3.15Å
179	R	98	Very high	98.1	Very high	78 Å²	78	28.6 Å²	28.6	29%	0.294	13%	0.132	S	C	.	.	H	α-helix	trans	-72.1	-31.6	-177.4	-70.7	-179.1	-175.3	89.8	2.4	112.8	E85 E175 D176 G181 D182 E183	E85-R179 IonicContact OE1-CZ 3.39Å; E85-R179 IonicContact OE1-NH1 3.3Å; E85-R179 PolarHBondContact OE1-NH1 3.17Å; E85-R179 IonicContact OE1-NH2 2.71Å; E85-R179 PolarHBondContact OE1-NH2 3.42Å; E85-R179 IonicContact OE2-CZ 3.86Å; E85-R179 IonicContact OE2-NH1 2.7Å; E85-R179 PolarHBondContact OE2-NH1 3.13Å; E85-R179 IonicContact OE2-NH2 3.7Å; E85-R179 PolarHBondContact OE2-NH2 3.06Å; E175-R179 PolarHBondContact O-N 3.48Å; D176-R179 HydrophobicContact CB-CB 4.04Å; D176-R179 WeakPolarHBondContact O-CB 3.42Å; D176-R179 VanDerWaalsContact O-CG 3.24Å; D176-R179 WeakPolarHBondContact O-CG 3.49Å; D176-R179 PolarHBondContact O-N 2.8Å; D176-R179 VanDerWaalsContact O-N 3.09Å; D176-R179 PolarHBondContact O-NH1 2.85Å; D176-R179 IonicContact OD1-CZ 3.47Å; D176-R179 IonicContact OD1-NH1 2.67Å; D176-R179 PolarHBondContact OD1-NH1 2.82Å; D176-R179 VanDerWaalsContact OD2-CD 3.29Å; D176-R179 WeakPolarHBondContact OD2-CD 3.34Å; R179-G181 VanDerWaalsContact C-N 3.33Å; R179-D182 WeakPolarHBondContact O-CB 3.24Å; R179-D182 PolarHBondContact O-N 2.75Å; R179-E183 PolarHBondContact O-N 2.9Å
180	I	98.2	Very high	98.1	Very high	30 Å²	30	30 Å²	30	15%	0.154	14%	0.142	C	C	.	.	H	α-helix	trans	-65.1	-40.6	173.8	-61.8	-56.3	0	0	0	110.5	N142 A170 D172 E175 D176 D182 E183 F184	N142-I180 HydrophobicContact CB-CG2 4.27Å; A170-I180 HydrophobicContact CB-CG2 4.07Å; D172-I180 WeakPolarHBondContact O-CG2 3.23Å; E175-I180 HydrophobicContact CB-CB 4.14Å; E175-I180 HydrophobicContact CB-CG1 3.73Å; E175-I180 PolarHBondContact O-N 2.86Å; D176-I180 HydrophobicContact CB-CG1 4.26Å; I180-D182 VanDerWaalsContact C-N 3.33Å; I180-D182 PolarHBondContact O-N 3.08Å; I180-E183 PolarHBondContact O-N 2.96Å; I180-F184 PolarHBondContact O-N 3.1Å
181	G	98.3	Very high	98.1	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.1	-40.3	170.5	0	0	0	0	0	113	M173 G178 R179 F184 M185	M173-G181 WeakPolarHBondContact O-CA 3.29Å; M173-G181 PolarHBondContact O-N 3.47Å; M173-G181 VanDerWaalsContact O-N 3.11Å; G178-G181 PolarHBondContact O-N 3.3Å; R179-G181 VanDerWaalsContact C-N 3.33Å; G181-F184 PolarHBondContact O-N 3.36Å; G181-M185 WeakPolarHBondContact O-CB 3.19Å; G181-M185 VanDerWaalsContact O-CG 3.25Å; G181-M185 WeakPolarHBondContact O-CG 3.03Å; G181-M185 PolarHBondContact O-N 3.42Å
182	D	98.5	Very high	98.2	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.011	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-43.9	176.2	-63.5	-35.6	0	0	0	112.4	Q31 R87 G178 R179 I180 M185 R186 R216	Q31-D182 PolarHBondContact NE2-OD1 3.24Å; R87-D182 IonicContact CZ-OD2 3.49Å; R87-D182 VanDerWaalsContact CZ-OD2 3.3Å; R87-D182 IonicContact NH1-OD2 3.06Å; R87-D182 PolarHBondContact NH1-OD2 2.89Å; R87-D182 IonicContact NH2-OD2 3.26Å; R87-D182 PolarHBondContact NH2-OD2 3.06Å; G178-D182 VanDerWaalsContact O-CG 3.3Å; G178-D182 PolarHBondContact O-N 2.94Å; G178-D182 VanDerWaalsContact O-N 3.1Å; R179-D182 WeakPolarHBondContact O-CB 3.24Å; R179-D182 PolarHBondContact O-N 2.75Å; I180-D182 VanDerWaalsContact C-N 3.33Å; I180-D182 PolarHBondContact O-N 3.08Å; D182-M185 PolarHBondContact O-N 2.84Å; D182-R186 WeakPolarHBondContact O-CG 3.34Å; D182-R186 PolarHBondContact O-N 3.4Å; D182-R216 IonicContact OD1-CZ 3.51Å; D182-R216 VanDerWaalsContact OD1-CZ 3.32Å; D182-R216 IonicContact OD1-NH1 3.92Å; D182-R216 PolarHBondContact OD1-NH1 3.14Å; D182-R216 IonicContact OD1-NH2 3.91Å; D182-R216 PolarHBondContact OD1-NH2 2.85Å
183	E	98.4	Very high	98.2	Very high	86 Å²	86	28.8 Å²	28.8	40%	0.402	14%	0.135	S	C	.	.	H	α-helix	trans	-61.4	-48.3	176.2	-73.9	-59	156.6	0	0	111.7	N142 R179 I180 M185 R186 Q187	N142-E183 WeakPolarHBondContact OD1-CB 3.29Å; R179-E183 PolarHBondContact O-N 2.9Å; I180-E183 PolarHBondContact O-N 2.96Å; E183-M185 VanDerWaalsContact C-N 3.34Å; E183-M185 PolarHBondContact O-N 3.48Å; E183-R186 WeakPolarHBondContact O-CB 3.36Å; E183-R186 PolarHBondContact O-N 3.23Å; E183-R186 VanDerWaalsContact O-N 3.15Å; E183-R186 IonicContact OE1-CZ 3.32Å; E183-R186 IonicContact OE1-NE 4Å; E183-R186 IonicContact OE1-NH2 3.71Å; E183-R186 PolarHBondContact OE1-NH2 2.96Å; E183-R186 IonicContact OE2-CZ 2.93Å; E183-R186 IonicContact OE2-NE 3.23Å; E183-R186 PolarHBondContact OE2-NE 2.88Å; E183-R186 IonicContact OE2-NH2 3.15Å; E183-R186 PolarHBondContact OE2-NH2 3.18Å; E183-Q187 WeakPolarHBondContact O-CG 3.43Å; E183-Q187 PolarHBondContact O-N 2.96Å
184	F	98.6	Very high	98.3	Very high	1 Å²	1	31.7 Å²	31.7	0%	0.004	15%	0.146	C	C	.	.	H	α-helix	trans	-58.6	-45.3	178.2	174.3	-96.4	0	0	0	112.1	M140 N142 H165 F169 A170 M173 I180 G181 R186 Q187 I188	M140-F184 HydrophobicContact CE-CE2 4.09Å; M140-F184 HydrophobicContact CE-CZ 4.27Å; M140-F184 WeakPolarHBondContact O-CE2 3.19Å; N142-F184 HydrophobicContact CB-CB 4.43Å; H165-F184 AromaticContact CE1-CZ 3.75Å; F169-F184 HydrophobicContact CB-CD1 4.21Å; F169-F184 HydrophobicContact CB-CE1 3.77Å; F169-F184 HydrophobicContact CB-CZ 4.09Å; F169-F184 AromaticContact CD1-CE1 3.68Å; F169-F184 HydrophobicContact CD1-CE1 3.68Å; F169-F184 AromaticContact CD1-CZ 3.8Å; F169-F184 HydrophobicContact CD1-CZ 3.8Å; F169-F184 HydrophobicContact CG-CE1 4.17Å; F169-F184 HydrophobicContact CG-CZ 4.43Å; A170-F184 HydrophobicContact CB-CB 3.38Å; A170-F184 HydrophobicContact CB-CD1 4.18Å; A170-F184 HydrophobicContact CB-CD2 4.1Å; A170-F184 HydrophobicContact CB-CG 3.61Å; M173-F184 HydrophobicContact CE-CD1 3.96Å; M173-F184 HydrophobicContact CE-CE1 4.18Å; I180-F184 PolarHBondContact O-N 3.1Å; G181-F184 PolarHBondContact O-N 3.36Å; F184-R186 VanDerWaalsContact C-N 3.3Å; F184-R186 PolarHBondContact O-N 3.44Å; F184-Q187 WeakPolarHBondContact O-CB 3.47Å; F184-Q187 PolarHBondContact O-N 3.12Å; F184-Q187 VanDerWaalsContact O-N 3.09Å; F184-I188 HydrophobicContact CD2-CG2 4.37Å; F184-I188 HydrophobicContact CE1-CD1 3.85Å; F184-I188 HydrophobicContact CE1-CG1 4.32Å; F184-I188 HydrophobicContact CE1-CG2 4.01Å; F184-I188 HydrophobicContact CE2-CG2 3.76Å; F184-I188 HydrophobicContact CZ-CD1 4.3Å; F184-I188 HydrophobicContact CZ-CG2 3.55Å; F184-I188 PolarHBondContact O-N 3.38Å
185	M	98.8	Very high	98.3	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-64.6	-35	178.4	-68.7	-58.7	-65.8	0	0	112.3	Q31 H33 M173 G181 D182 E183 I188 Q189 F217	Q31-M185 HydrophobicContact CB-CB 3.73Å; Q31-M185 HydrophobicContact CG-CB 3.58Å; H33-M185 WeakPolarHBondContact ND1-CE 3.21Å; M173-M185 HydrophobicContact CE-SD 4.26Å; G181-M185 WeakPolarHBondContact O-CB 3.19Å; G181-M185 VanDerWaalsContact O-CG 3.25Å; G181-M185 WeakPolarHBondContact O-CG 3.03Å; G181-M185 PolarHBondContact O-N 3.42Å; D182-M185 PolarHBondContact O-N 2.84Å; E183-M185 VanDerWaalsContact C-N 3.34Å; E183-M185 PolarHBondContact O-N 3.48Å; M185-I188 HydrophobicContact CE-CD1 4.26Å; M185-I188 HydrophobicContact SD-CD1 3.92Å; M185-I188 HydrophobicContact SD-CG1 4.43Å; M185-Q189 PolarHBondContact O-N 3.36Å; M185-F217 HydrophobicContact CE-CE1 4.09Å; M185-F217 HydrophobicContact CE-CZ 4.49Å; M185-F217 HydrophobicContact SD-CE1 3.96Å; M185-F217 HydrophobicContact SD-CZ 3.81Å
186	R	98.6	Very high	98.3	Very high	79 Å²	79	27.8 Å²	27.8	30%	0.298	13%	0.129	S	C	.	.	H	α-helix	trans	-65.4	-40.7	170.5	-75.7	-171.9	-70.6	-86.6	0.2	112	E30 Q31 D182 E183 F184 Q189	E30-R186 IonicContact OE1-CZ 3.52Å; E30-R186 IonicContact OE1-NH1 3.93Å; E30-R186 PolarHBondContact OE1-NH1 3.46Å; E30-R186 IonicContact OE2-NH1 3.89Å; Q31-R186 HydrophobicContact CG-CG 4.06Å; D182-R186 WeakPolarHBondContact O-CG 3.34Å; D182-R186 PolarHBondContact O-N 3.4Å; E183-R186 WeakPolarHBondContact O-CB 3.36Å; E183-R186 PolarHBondContact O-N 3.23Å; E183-R186 VanDerWaalsContact O-N 3.15Å; E183-R186 IonicContact OE1-CZ 3.32Å; E183-R186 IonicContact OE1-NE 4Å; E183-R186 IonicContact OE1-NH2 3.71Å; E183-R186 PolarHBondContact OE1-NH2 2.96Å; E183-R186 IonicContact OE2-CZ 2.93Å; E183-R186 IonicContact OE2-NE 3.23Å; E183-R186 PolarHBondContact OE2-NE 2.88Å; E183-R186 IonicContact OE2-NH2 3.15Å; E183-R186 PolarHBondContact OE2-NH2 3.18Å; F184-R186 VanDerWaalsContact C-N 3.3Å; F184-R186 PolarHBondContact O-N 3.44Å; R186-Q189 WeakPolarHBondContact O-CB 3.26Å; R186-Q189 PolarHBondContact O-N 3.03Å
187	Q	97.6	Very high	98.4	Very high	52 Å²	52	23.7 Å²	23.7	24%	0.243	11%	0.107	C	C	.	.	H	α-helix	trans	-60.2	-47.5	177.5	-72.5	-178.6	-7.1	0	0	111.5	N142 L148 E183 F184 Q189 S190	N142-Q187 PolarHBondContact O-NE2 2.87Å; N142-Q187 VanDerWaalsContact O-NE2 3.15Å; N142-Q187 VanDerWaalsContact OD1-CD 3.23Å; N142-Q187 PolarHBondContact OD1-NE2 3.01Å; N142-Q187 PolarHBondContact OD1-OE1 3.12Å; L148-Q187 HydrophobicContact CD2-CB 4.11Å; E183-Q187 WeakPolarHBondContact O-CG 3.43Å; E183-Q187 PolarHBondContact O-N 2.96Å; F184-Q187 WeakPolarHBondContact O-CB 3.47Å; F184-Q187 PolarHBondContact O-N 3.12Å; F184-Q187 VanDerWaalsContact O-N 3.09Å; Q187-Q189 PolarHBondContact O-N 2.86Å; Q187-S190 PolarHBondContact O-OG 2.76Å
188	I	98.6	Very high	98.4	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-79	-13.4	-176.6	69.1	162.6	0	0	0	114.3	M140 F184 M185 S190 I191 A192 Y197	M140-I188 HydrophobicContact CE-CG2 3.53Å; F184-I188 HydrophobicContact CD2-CG2 4.37Å; F184-I188 HydrophobicContact CE1-CD1 3.85Å; F184-I188 HydrophobicContact CE1-CG1 4.32Å; F184-I188 HydrophobicContact CE1-CG2 4.01Å; F184-I188 HydrophobicContact CE2-CG2 3.76Å; F184-I188 HydrophobicContact CZ-CD1 4.3Å; F184-I188 HydrophobicContact CZ-CG2 3.55Å; F184-I188 PolarHBondContact O-N 3.38Å; M185-I188 HydrophobicContact CE-CD1 4.26Å; M185-I188 HydrophobicContact SD-CD1 3.92Å; M185-I188 HydrophobicContact SD-CG1 4.43Å; I188-S190 PolarHBondContact O-N 2.81Å; I188-S190 VanDerWaalsContact O-N 3.09Å; I188-I191 CarbonylContact O-C 3.3Å; I188-I191 WeakPolarHBondContact O-CA 3.48Å; I188-I191 WeakPolarHBondContact O-CB 3.36Å; I188-I191 PolarHBondContact O-N 2.82Å; I188-A192 HydrophobicContact CD1-CB 4.25Å; I188-A192 HydrophobicContact CG1-CB 4.39Å; I188-A192 WeakPolarHBondContact O-CB 3.44Å; I188-A192 PolarHBondContact O-N 3.28Å; I188-Y197 HydrophobicContact CD1-CE1 4.06Å; I188-Y197 HydrophobicContact CD1-CE2 4.37Å
189	Q	98.8	Very high	98.5	Very high	39 Å²	39	22.6 Å²	22.6	18%	0.182	10%	0.101	C	C	.	.	H	α-helix	trans	-52	-36.2	179	179.2	175.7	-81.4	0	0	112.4	V32 F119 M185 R186 Q187 I191 A192 A193	V32-Q189 HydrophobicContact CB-CG 4.22Å; V32-Q189 WeakPolarHBondContact O-CG 3.47Å; F119-Q189 HydrophobicContact CE1-CG 4.37Å; F119-Q189 HydrophobicContact CZ-CG 4.3Å; M185-Q189 PolarHBondContact O-N 3.36Å; R186-Q189 WeakPolarHBondContact O-CB 3.26Å; R186-Q189 PolarHBondContact O-N 3.03Å; Q187-Q189 PolarHBondContact O-N 2.86Å; Q189-I191 PolarHBondContact O-N 3.04Å; Q189-I191 VanDerWaalsContact O-N 3.1Å; Q189-A192 PolarHBondContact O-N 2.7Å; Q189-A193 HydrophobicContact CG-CB 4.2Å; Q189-A193 WeakPolarHBondContact O-CB 3.3Å; Q189-A193 PolarHBondContact O-N 3.35Å
190	S	97.7	Very high	98.5	Very high	29 Å²	29	18.9 Å²	18.9	20%	0.203	9%	0.087	C	C	.	.	H	α-helix	trans	-60.5	-14.7	175.5	54.5	0	0	0	0	115.2	Q152 Q187 I188	Q152-S190 VanDerWaalsContact CG-OG 3.26Å; Q152-S190 WeakPolarHBondContact CG-OG 3.42Å; Q152-S190 PolarHBondContact NE2-OG 3.33Å; Q187-S190 PolarHBondContact O-OG 2.76Å; I188-S190 PolarHBondContact O-N 2.81Å; I188-S190 VanDerWaalsContact O-N 3.09Å
191	I	98.8	Very high	98.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-109.7	-57.1	172.4	-63	160.8	0	0	0	108.9	L148 L151 Q152 T155 I163 I188 Q189 A193 Y194 V195 Y197	L148-I191 HydrophobicContact CD1-CD1 3.76Å; L151-I191 HydrophobicContact CB-CD1 3.62Å; L151-I191 HydrophobicContact CB-CG1 4.47Å; Q152-I191 HydrophobicContact CB-CG1 4.45Å; Q152-I191 HydrophobicContact CG-CD1 4.02Å; Q152-I191 HydrophobicContact CG-CG1 3.9Å; T155-I191 HydrophobicContact CG2-CG2 4.16Å; I163-I191 HydrophobicContact CD1-CG2 4.11Å; I163-I191 HydrophobicContact CG1-CG2 3.8Å; I188-I191 CarbonylContact O-C 3.3Å; I188-I191 WeakPolarHBondContact O-CA 3.48Å; I188-I191 WeakPolarHBondContact O-CB 3.36Å; I188-I191 PolarHBondContact O-N 2.82Å; Q189-I191 PolarHBondContact O-N 3.04Å; Q189-I191 VanDerWaalsContact O-N 3.1Å; I191-A193 VanDerWaalsContact C-N 3.29Å; I191-A193 PolarHBondContact O-N 3.45Å; I191-Y194 PolarHBondContact O-N 3.27Å; I191-V195 HydrophobicContact CG2-CG2 4.17Å; I191-V195 PolarHBondContact O-N 2.87Å; I191-Y197 HydrophobicContact CG2-CD2 4.15Å; I191-Y197 HydrophobicContact CG2-CE2 4.05Å
192	A	98.8	Very high	98.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-70.6	-18.7	-165.9	0	0	0	0	0	114.1	H33 I34 I188 Q189 Y194 Y197	H33-A192 CarbonylContact C-O 3.6Å; H33-A192 VanDerWaalsContact CA-O 3.27Å; H33-A192 WeakPolarHBondContact CA-O 3.28Å; H33-A192 HydrophobicContact CB-CB 3.52Å; I34-A192 PolarHBondContact N-O 3.14Å; I188-A192 HydrophobicContact CD1-CB 4.25Å; I188-A192 HydrophobicContact CG1-CB 4.39Å; I188-A192 WeakPolarHBondContact O-CB 3.44Å; I188-A192 PolarHBondContact O-N 3.28Å; Q189-A192 PolarHBondContact O-N 2.7Å; A192-Y194 VanDerWaalsContact C-N 3.27Å; A192-Y197 HydrophobicContact CB-CD2 3.58Å; A192-Y197 HydrophobicContact CB-CE2 4.21Å; A192-Y197 HydrophobicContact CB-CG 3.86Å
193	A	98.8	Very high	98.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-7.3	172.4	0	0	0	0	0	113.6	V32 Y107 F119 Q189 I191	V32-A193 HydrophobicContact CB-CB 4.34Å; V32-A193 HydrophobicContact CG1-CB 4.15Å; Y107-A193 PolarHBondContact OH-O 2.87Å; F119-A193 HydrophobicContact CB-CB 4.47Å; F119-A193 HydrophobicContact CD1-CB 3.57Å; F119-A193 HydrophobicContact CD2-CB 4.44Å; F119-A193 HydrophobicContact CE1-CB 3.83Å; F119-A193 HydrophobicContact CG-CB 3.91Å; F119-A193 HydrophobicContact CZ-CB 4.37Å; Q189-A193 HydrophobicContact CG-CB 4.2Å; Q189-A193 WeakPolarHBondContact O-CB 3.3Å; Q189-A193 PolarHBondContact O-N 3.35Å; I191-A193 VanDerWaalsContact C-N 3.29Å; I191-A193 PolarHBondContact O-N 3.45Å
194	Y	98.7	Very high	98.5	Very high	63 Å²	63	15.6 Å²	15.6	25%	0.247	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-25.8	-171.6	-65.1	-90.4	0	0	0	113.9	F119 S120 F121 I191 A192	F119-Y194 HydrophobicContact CD1-CE1 4.47Å; F119-Y194 AromaticContact CD1-CE2 3.92Å; F119-Y194 HydrophobicContact CD1-CE2 3.92Å; F119-Y194 AromaticContact CD1-CZ 3.76Å; F119-Y194 HydrophobicContact CE1-CE2 4.44Å; S120-Y194 WeakPolarHBondContact O-CA 3.45Å; S120-Y194 WeakPolarHBondContact O-CD1 3.29Å; F121-Y194 WeakPolarHBondContact CB-O 3.38Å; I191-Y194 PolarHBondContact O-N 3.27Å; A192-Y194 VanDerWaalsContact C-N 3.27Å
195	V	98.3	Very high	98.5	Very high	11 Å²	11	15.8 Å²	15.8	7%	0.067	7%	0.073	C	C	.	.	S	Bend	trans	-138.3	144.7	-178.5	-69.3	0	0	0	0	110	I34 T155 I163 I191 Y197	I34-V195 WeakPolarHBondContact CG1-O 3.43Å; T155-V195 HydrophobicContact CG2-CB 4.49Å; T155-V195 HydrophobicContact CG2-CG1 4.01Å; T155-V195 HydrophobicContact CG2-CG2 3.66Å; I163-V195 HydrophobicContact CD1-CG2 4.23Å; I163-V195 HydrophobicContact CG1-CG2 3.52Å; I191-V195 HydrophobicContact CG2-CG2 4.17Å; I191-V195 PolarHBondContact O-N 2.87Å; V195-Y197 PolarHBondContact O-N 2.66Å; V195-Y197 VanDerWaalsContact O-N 3.13Å
196	P	98.4	Very high	98.4	Very high	2 Å²	2	16 Å²	16	1%	0.013	8%	0.075	C	C	.	.			trans	-50.6	119.2	173.5	-28.5	36.1	0	0	0	111.8	I34 M43 L124 D161 I163 M198	I34-P196 WeakPolarHBondContact O-CA 3.31Å; M43-P196 HydrophobicContact CE-CG 3.67Å; M43-P196 HydrophobicContact SD-CG 3.95Å; L124-P196 HydrophobicContact CD2-CG 4.19Å; L124-P196 HydrophobicContact CG-CG 4.45Å; D161-P196 WeakPolarHBondContact O-CD 3.25Å; I163-P196 PolarHBondContact N-O 3.11Å; P196-M198 HydrophobicContact CB-SD 4.31Å
197	Y	98.8	Very high	98.4	Very high	1 Å²	1	16 Å²	16	0%	0.004	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	92.8	-177.7	-156.8	-81.6	0	0	0	109.4	I34 Y137 I163 H165 F169 I188 I191 A192 V195 T199 M219	I34-Y197 PolarHBondContact O-N 3.13Å; Y137-Y197 WeakPolarHBondContact OH-CE2 3.25Å; Y137-Y197 PolarHBondContact OH-OH 3.08Å; I163-Y197 HydrophobicContact CB-CD2 3.83Å; I163-Y197 HydrophobicContact CB-CE2 4.22Å; I163-Y197 HydrophobicContact CB-CG 4.37Å; I163-Y197 HydrophobicContact CG1-CD2 4.16Å; I163-Y197 HydrophobicContact CG2-CD2 3.78Å; I163-Y197 HydrophobicContact CG2-CE2 3.66Å; I163-Y197 HydrophobicContact CG2-CG 4.4Å; H165-Y197 HydrophobicContact CB-CD1 4.31Å; H165-Y197 HydrophobicContact CB-CE1 3.44Å; H165-Y197 VanDerWaalsContact CB-CE1 3.44Å; H165-Y197 AromaticContact CG-CE1 3.96Å; H165-Y197 AromaticContact ND1-CE1 3.66Å; H165-Y197 AromaticContact ND1-CZ 3.56Å; H165-Y197 PolarHBondContact ND1-OH 3.14Å; F169-Y197 HydrophobicContact CE1-CE1 4.3Å; I188-Y197 HydrophobicContact CD1-CE1 4.06Å; I188-Y197 HydrophobicContact CD1-CE2 4.37Å; I191-Y197 HydrophobicContact CG2-CD2 4.15Å; I191-Y197 HydrophobicContact CG2-CE2 4.05Å; A192-Y197 HydrophobicContact CB-CD2 3.58Å; A192-Y197 HydrophobicContact CB-CE2 4.21Å; A192-Y197 HydrophobicContact CB-CG 3.86Å; V195-Y197 PolarHBondContact O-N 2.66Å; V195-Y197 VanDerWaalsContact O-N 3.13Å; Y197-T199 HydrophobicContact CD1-CG2 3.7Å; Y197-T199 HydrophobicContact CE1-CG2 3.96Å; Y197-M219 VanDerWaalsContact O-CE 3.29Å; Y197-M219 WeakPolarHBondContact O-CE 3.34Å
198	M	98.9	Very high	98.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	132.8	-173.4	-51.2	-59.2	-63.8	0	0	109.7	Y36 V162 I163 L164 H165 P196 M219 P220 Y228 W230	Y36-M198 PolarHBondContact N-SD 3.3Å; V162-M198 HydrophobicContact CG1-CG 4Å; I163-M198 PolarHBondContact O-N 3.15Å; L164-M198 CarbonylContact C-O 3.56Å; L164-M198 WeakPolarHBondContact CA-O 3.35Å; L164-M198 HydrophobicContact CD2-CB 3.92Å; L164-M198 HydrophobicContact CD2-CG 4.47Å; H165-M198 PolarHBondContact N-O 2.94Å; P196-M198 HydrophobicContact CB-SD 4.31Å; M198-M219 HydrophobicContact CB-SD 4.49Å; M198-M219 HydrophobicContact CE-SD 3.95Å; M198-M219 HydrophobicContact SD-SD 4.4Å; M198-P220 HydrophobicContact CE-CG 4.21Å; M198-Y228 HydrophobicContact CE-CE2 3.67Å; M198-W230 HydrophobicContact CB-CZ2 4.37Å; M198-W230 HydrophobicContact CE-CD2 4.25Å; M198-W230 HydrophobicContact CE-CG 4.46Å; M198-W230 HydrophobicContact CG-CH2 4.04Å; M198-W230 HydrophobicContact CG-CZ2 3.67Å
199	T	98.8	Very high	98.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	160.9	-167.3	60.7	0	0	0	0	113.8	H165 F169 Y197 Y213 F217 M219 Y228 S239	H165-T199 HydrophobicContact CB-CG2 4.36Å; H165-T199 WeakPolarHBondContact O-CA 3.3Å; F169-T199 HydrophobicContact CE1-CG2 3.79Å; F169-T199 HydrophobicContact CZ-CG2 3.64Å; Y197-T199 HydrophobicContact CD1-CG2 3.7Å; Y197-T199 HydrophobicContact CE1-CG2 3.96Å; T199-Y213 PolarHBondContact O-OH 3.28Å; T199-Y213 PolarHBondContact OG1-OH 3.33Å; T199-Y213 VanDerWaalsContact OG1-OH 3.08Å; T199-F217 HydrophobicContact CG2-CD1 3.84Å; T199-F217 HydrophobicContact CG2-CE1 3.92Å; T199-F217 HydrophobicContact CG2-CG 4.34Å; T199-F217 HydrophobicContact CG2-CZ 4.48Å; T199-M219 PolarHBondContact N-SD 3.28Å; T199-M219 VanDerWaalsContact N-SD 3.39Å; T199-Y228 PolarHBondContact N-OH 2.71Å; T199-Y228 WeakPolarHBondContact O-CE1 3.39Å; T199-Y228 VanDerWaalsContact O-CZ 3.3Å; T199-Y228 PolarHBondContact O-OH 3.24Å; T199-S239 PolarHBondContact O-OG 2.73Å; T199-S239 VanDerWaalsContact O-OG 3.07Å
200	C	98.7	Very high	98.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	156.6	157	68.5	0	0	0	0	108.5	H165 V166 G167 F169 Y213 S239 M284	H165-C200 PolarHBondContact O-N 3.35Å; V166-C200 VanDerWaalsContact C-SG 3.59Å; V166-C200 VanDerWaalsContact CA-SG 3.56Å; G167-C200 WeakPolarHBondContact CA-O 3.49Å; G167-C200 PolarHBondContact N-O 2.72Å; F169-C200 WeakPolarHBondContact CE2-O 3.46Å; C200-Y213 WeakPolarHBondContact CA-OH 3.3Å; C200-S239 VanDerWaalsContact CB-OG 3.23Å; C200-S239 WeakPolarHBondContact CB-OG 3.33Å; C200-M284 HydrophobicContact CB-CE 3.95Å
201	P	98.5	Very high	98.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.084	C	C	.	.			trans	-77.5	144	175.9	31.8	-34.1	0	0	0	111.6	E205 F210 Y213 L226 S241 H286	P201-E205 HydrophobicContact CB-CB 4.49Å; P201-F210 HydrophobicContact CB-CD1 4.1Å; P201-F210 HydrophobicContact CB-CE1 4.3Å; P201-Y213 HydrophobicContact CB-CD1 4.02Å; P201-Y213 HydrophobicContact CB-CD2 4.32Å; P201-Y213 HydrophobicContact CB-CE1 3.93Å; P201-Y213 HydrophobicContact CB-CE2 4.25Å; P201-Y213 HydrophobicContact CB-CG 4.23Å; P201-Y213 HydrophobicContact CG-CE1 4.15Å; P201-L226 HydrophobicContact CG-CD2 4.24Å; P201-S241 WeakPolarHBondContact CG-OG 3.42Å; P201-H286 WeakPolarHBondContact O-CB 3.49Å
202	G	98.4	Very high	98.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.085	C	C	.	.			trans	-109.9	-176.7	163.8	0	0	0	0	0	112	D168 H204 E205 E243 H286	D168-G202 VanDerWaalsContact OD1-CA 3.28Å; D168-G202 WeakPolarHBondContact OD1-CA 3.23Å; G202-H204 VanDerWaalsContact C-N 3.32Å; G202-H204 PolarHBondContact O-N 3.49Å; G202-E205 WeakPolarHBondContact CA-OE2 3.39Å; G202-E205 PolarHBondContact N-OE2 3.3Å; G202-E205 WeakPolarHBondContact O-CB 3.44Å; G202-E205 PolarHBondContact O-N 2.82Å; G202-E243 VanDerWaalsContact C-CG 3.42Å; G202-E243 WeakPolarHBondContact O-CG 3.35Å; G202-H286 WeakPolarHBondContact CA-CD2 3.49Å
203	N	97.6	Very high	98.2	Very high	25 Å²	25	17.9 Å²	17.9	13%	0.134	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-67.1	-30.9	-175.3	41.1	-82.2	0	0	0	113.7	D168 E205 A206 E243 F247 H286 R287 H336	D168-N203 PolarHBondContact OD1-N 3.13Å; D168-N203 PolarHBondContact OD2-OD1 2.98Å; N203-E205 PolarHBondContact O-N 3.07Å; N203-E205 VanDerWaalsContact O-N 3.13Å; N203-A206 VanDerWaalsContact O-CB 3.27Å; N203-A206 WeakPolarHBondContact O-CB 3.42Å; N203-A206 PolarHBondContact O-N 2.84Å; N203-E243 VanDerWaalsContact CA-OE2 3.31Å; N203-E243 WeakPolarHBondContact CA-OE2 3.22Å; N203-E243 WeakPolarHBondContact CB-OE2 3.29Å; N203-E243 PolarHBondContact N-OE2 3.32Å; N203-F247 HydrophobicContact CB-CE2 3.99Å; N203-F247 HydrophobicContact CB-CZ 3.92Å; N203-H286 PolarHBondContact OD1-NE2 3.28Å; N203-R287 PolarHBondContact OD1-NH2 3.24Å; N203-H336 PolarHBondContact OD1-CE1 3.28Å; N203-H336 PolarHBondContact OD1-ND1 3.12Å
204	H	98.3	Very high	98.1	Very high	24 Å²	24	19.5 Å²	19.5	11%	0.111	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-68.7	-8.9	178.4	-74.3	-93.8	0	0	0	112.6	D168 Y171 D172 G202 E378	D168-H204 HydrophobicContact CB-CB 4.39Å; D168-H204 VanDerWaalsContact CG-CD2 3.41Å; D168-H204 IonicContact OD1-CD2 2.7Å; D168-H204 PolarHBondContact OD1-CD2 3.35Å; D168-H204 IonicContact OD1-CG 3.58Å; D168-H204 PolarHBondContact OD1-N 3.33Å; D168-H204 IonicContact OD2-CD2 3.76Å; D168-H204 PolarHBondContact OD2-CD2 2.86Å; Y171-H204 AromaticContact CD1-CD2 3.82Å; Y171-H204 AromaticContact CD1-CE1 3.47Å; Y171-H204 VanDerWaalsContact CD1-CE1 3.47Å; Y171-H204 WeakPolarHBondContact CD1-CE1 3.35Å; Y171-H204 AromaticContact CD1-CG 3.75Å; Y171-H204 AromaticContact CD1-ND1 3.53Å; Y171-H204 AromaticContact CD1-NE2 3.7Å; Y171-H204 AromaticContact CE1-CD2 3.61Å; Y171-H204 AromaticContact CE1-CE1 3.86Å; Y171-H204 AromaticContact CE1-CG 3.98Å; Y171-H204 AromaticContact CE1-NE2 3.58Å; D172-H204 IonicContact OD1-CE1 2.69Å; D172-H204 IonicContact OD1-CG 3.24Å; D172-H204 IonicContact OD1-ND1 2.76Å; D172-H204 PolarHBondContact OD1-ND1 3.04Å; D172-H204 IonicContact OD2-ND1 3.32Å; G202-H204 VanDerWaalsContact C-N 3.32Å; G202-H204 PolarHBondContact O-N 3.49Å; H204-E378 IonicContact CE1-OE1 3.94Å; H204-E378 PolarHBondContact CE1-OE1 2.7Å; H204-E378 VanDerWaalsContact CE1-OE1 3.27Å; H204-E378 IonicContact NE2-OE1 2.62Å; H204-E378 IonicContact NE2-OE2 3.56Å
205	E	98.4	Very high	98.1	Very high	5 Å²	5	18.6 Å²	18.6	2%	0.023	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-87.2	-13.6	173	-74.7	65.3	-110.3	0	0	113.2	D168 F169 P201 G202 N203 E207 F210 Y213	D168-E205 WeakPolarHBondContact CA-OE2 3.24Å; D168-E205 PolarHBondContact N-OE2 2.76Å; F169-E205 HydrophobicContact CD2-CG 3.88Å; F169-E205 WeakPolarHBondContact CD2-OE2 3.19Å; F169-E205 HydrophobicContact CE2-CG 4.49Å; F169-E205 PolarHBondContact N-OE1 3.37Å; P201-E205 HydrophobicContact CB-CB 4.49Å; G202-E205 WeakPolarHBondContact CA-OE2 3.39Å; G202-E205 PolarHBondContact N-OE2 3.3Å; G202-E205 WeakPolarHBondContact O-CB 3.44Å; G202-E205 PolarHBondContact O-N 2.82Å; N203-E205 PolarHBondContact O-N 3.07Å; N203-E205 VanDerWaalsContact O-N 3.13Å; E205-E207 VanDerWaalsContact C-N 3.27Å; E205-E207 PolarHBondContact O-N 3.06Å; E205-E207 VanDerWaalsContact O-N 3.11Å; E205-F210 HydrophobicContact CB-CD1 3.83Å; E205-F210 HydrophobicContact CB-CE1 4.42Å; E205-F210 VanDerWaalsContact O-CA 3.23Å; E205-F210 WeakPolarHBondContact O-CA 3.43Å; E205-Y213 HydrophobicContact CB-CG 4.45Å; E205-Y213 HydrophobicContact CG-CD2 3.94Å; E205-Y213 HydrophobicContact CG-CG 4.1Å
206	A	97.6	Very high	98.1	Very high	5 Å²	5	18.1 Å²	18.1	4%	0.041	9%	0.087	C	C	.	.			trans	-60.3	-30.1	-163.5	0	0	0	0	0	115.1	N203 N209 F210 F247 Y250	N203-A206 VanDerWaalsContact O-CB 3.27Å; N203-A206 WeakPolarHBondContact O-CB 3.42Å; N203-A206 PolarHBondContact O-N 2.84Å; A206-N209 PolarHBondContact O-N 3.49Å; A206-N209 VanDerWaalsContact O-N 3.11Å; A206-F210 HydrophobicContact CB-CE1 3.95Å; A206-F210 HydrophobicContact CB-CZ 3.96Å; A206-F210 PolarHBondContact O-N 2.94Å; A206-F247 HydrophobicContact CB-CD1 3.75Å; A206-F247 HydrophobicContact CB-CD2 3.88Å; A206-F247 HydrophobicContact CB-CE1 3.46Å; A206-F247 VanDerWaalsContact CB-CE1 3.46Å; A206-F247 HydrophobicContact CB-CE2 3.63Å; A206-F247 HydrophobicContact CB-CG 3.95Å; A206-F247 HydrophobicContact CB-CZ 3.4Å; A206-F247 VanDerWaalsContact CB-CZ 3.4Å; A206-Y250 HydrophobicContact CB-CE2 4.38Å; A206-Y250 VanDerWaalsContact O-CE2 3.22Å; A206-Y250 WeakPolarHBondContact O-CE2 3.48Å; A206-Y250 PolarHBondContact O-OH 2.86Å
207	E	97.8	Very high	98.1	Very high	81 Å²	81	18.1 Å²	18.1	38%	0.379	9%	0.087	S	C	.	.	H	α-helix	trans	-54.1	139.9	-171.7	-168.6	57.3	-141.8	0	0	112.8	H174 E205 N209 F210	H174-E207 HydrophobicContact CB-CB 4.17Å; H174-E207 HydrophobicContact CB-CG 4.17Å; H174-E207 WeakPolarHBondContact ND1-CB 3.48Å; E205-E207 VanDerWaalsContact C-N 3.27Å; E205-E207 PolarHBondContact O-N 3.06Å; E205-E207 VanDerWaalsContact O-N 3.11Å; E207-N209 VanDerWaalsContact C-N 3.26Å; E207-N209 PolarHBondContact O-N 2.95Å; E207-F210 PolarHBondContact O-N 3.32Å
208	Y	96.8	Very high	98	Very high	83 Å²	83	18.6 Å²	18.6	33%	0.325	9%	0.09	S	C	.	.	H	α-helix	trans	53.2	40.1	-174.7	-45.5	-47.9	0	0	0	113.4	G82 H174 S211	G82-Y208 VanDerWaalsContact C-CE2 3.45Å; G82-Y208 VanDerWaalsContact CA-CE2 3.45Å; H174-Y208 HydrophobicContact CB-CD2 4.33Å; H174-Y208 HydrophobicContact CB-CE2 3.98Å; Y208-S211 WeakPolarHBondContact CB-OG 3.38Å; Y208-S211 VanDerWaalsContact O-CB 3.29Å; Y208-S211 WeakPolarHBondContact O-CB 3.41Å; Y208-S211 PolarHBondContact O-N 2.85Å
209	N	96.7	Very high	98	Very high	51 Å²	51	19.3 Å²	19.3	27%	0.273	9%	0.094	S	C	.	.	H	α-helix	trans	58.2	52.4	-178.5	-175.6	28.3	0	0	0	112.3	A206 E207 S211 R214 Y250	A206-N209 PolarHBondContact O-N 3.49Å; A206-N209 VanDerWaalsContact O-N 3.11Å; E207-N209 VanDerWaalsContact C-N 3.26Å; E207-N209 PolarHBondContact O-N 2.95Å; N209-S211 PolarHBondContact O-N 3.32Å; N209-S211 VanDerWaalsContact O-N 3.11Å; N209-R214 PolarHBondContact O-NE 2.8Å; N209-R214 PolarHBondContact OD1-NH2 3.43Å; N209-Y250 HydrophobicContact CB-CD1 3.6Å; N209-Y250 HydrophobicContact CB-CE1 3.71Å; N209-Y250 HydrophobicContact CB-CG 4.06Å; N209-Y250 PolarHBondContact N-OH 2.79Å; N209-Y250 WeakPolarHBondContact OD1-CB 3.36Å
210	F	97.9	Very high	97.9	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.009	10%	0.096	C	C	.	.	H	α-helix	trans	59.6	22	178.8	-52.8	-92.9	0	0	0	114.3	P201 E205 A206 E207 N212 Y213 R214 L226 E243 F247 Y250	P201-F210 HydrophobicContact CB-CD1 4.1Å; P201-F210 HydrophobicContact CB-CE1 4.3Å; E205-F210 HydrophobicContact CB-CD1 3.83Å; E205-F210 HydrophobicContact CB-CE1 4.42Å; E205-F210 VanDerWaalsContact O-CA 3.23Å; E205-F210 WeakPolarHBondContact O-CA 3.43Å; A206-F210 HydrophobicContact CB-CE1 3.95Å; A206-F210 HydrophobicContact CB-CZ 3.96Å; A206-F210 PolarHBondContact O-N 2.94Å; E207-F210 PolarHBondContact O-N 3.32Å; F210-N212 VanDerWaalsContact C-N 3.35Å; F210-N212 PolarHBondContact O-N 3.48Å; F210-Y213 PolarHBondContact O-N 2.9Å; F210-Y213 VanDerWaalsContact O-N 3.15Å; F210-R214 HydrophobicContact CB-CG 4.04Å; F210-R214 WeakPolarHBondContact O-CB 3.46Å; F210-R214 VanDerWaalsContact O-CG 3.29Å; F210-R214 WeakPolarHBondContact O-CG 3.23Å; F210-R214 PolarHBondContact O-N 2.8Å; F210-L226 HydrophobicContact CB-CD2 4.31Å; F210-L226 HydrophobicContact CG-CD2 4.33Å; F210-E243 HydrophobicContact CE1-CB 3.75Å; F210-E243 HydrophobicContact CE1-CG 4.1Å; F210-E243 HydrophobicContact CZ-CB 3.56Å; F210-E243 HydrophobicContact CZ-CG 4.41Å; F210-F247 AromaticContact CZ-CD2 3.95Å; F210-F247 HydrophobicContact CZ-CD2 3.95Å; F210-F247 HydrophobicContact CZ-CG 4.45Å; F210-Y250 HydrophobicContact CD2-CD2 4.2Å; F210-Y250 HydrophobicContact CD2-CE2 4.46Å; F210-Y250 AromaticContact CE2-CD2 3.7Å; F210-Y250 HydrophobicContact CE2-CD2 3.7Å; F210-Y250 HydrophobicContact CE2-CE2 4.08Å
211	S	97.7	Very high	97.6	Very high	19 Å²	19	22.5 Å²	22.5	13%	0.133	13%	0.126	C	C	.	.	H	α-helix	trans	-60.2	-41.1	-167.8	65.8	0	0	0	0	113.2	Y208 N209 N215	Y208-S211 WeakPolarHBondContact CB-OG 3.38Å; Y208-S211 VanDerWaalsContact O-CB 3.29Å; Y208-S211 WeakPolarHBondContact O-CB 3.41Å; Y208-S211 PolarHBondContact O-N 2.85Å; N209-S211 PolarHBondContact O-N 3.32Å; N209-S211 VanDerWaalsContact O-N 3.11Å; S211-N215 VanDerWaalsContact O-CB 3.26Å; S211-N215 WeakPolarHBondContact O-CB 3.26Å; S211-N215 PolarHBondContact O-N 2.93Å; S211-N215 PolarHBondContact O-ND2 3.29Å
212	N	98.3	Very high	97.1	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	17%	0.171	C	C	.	.	H	α-helix	trans	-62.9	-48.4	177.1	-92	-79.8	0	0	0	110.7	F79 D81 M173 F210 N215 R216	F79-N212 WeakPolarHBondContact CE1-OD1 3.29Å; F79-N212 HydrophobicContact CZ-CB 4.45Å; D81-N212 PolarHBondContact OD2-ND2 3.08Å; M173-N212 HydrophobicContact CB-CB 3.73Å; M173-N212 HydrophobicContact SD-CB 4.09Å; F210-N212 VanDerWaalsContact C-N 3.35Å; F210-N212 PolarHBondContact O-N 3.48Å; N212-N215 PolarHBondContact O-N 2.93Å; N212-R216 WeakPolarHBondContact O-CB 3.22Å; N212-R216 WeakPolarHBondContact O-CG 3.26Å; N212-R216 PolarHBondContact O-N 3.13Å; N212-R216 PolarHBondContact OD1-NE 2.85Å; N212-R216 PolarHBondContact OD1-NH2 2.84Å
213	Y	98.5	Very high	96.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.2	-53.7	176.8	175.9	-94	0	0	0	112.5	F169 T199 C200 P201 E205 F210 N215 R216 F217 S225 L226	F169-Y213 HydrophobicContact CD2-CD2 4.25Å; F169-Y213 AromaticContact CE2-CD2 3.88Å; F169-Y213 HydrophobicContact CE2-CD2 3.88Å; F169-Y213 AromaticContact CE2-CE2 3.78Å; F169-Y213 HydrophobicContact CE2-CE2 3.78Å; F169-Y213 HydrophobicContact CZ-CE2 4.29Å; T199-Y213 PolarHBondContact O-OH 3.28Å; T199-Y213 PolarHBondContact OG1-OH 3.33Å; T199-Y213 VanDerWaalsContact OG1-OH 3.08Å; C200-Y213 WeakPolarHBondContact CA-OH 3.3Å; P201-Y213 HydrophobicContact CB-CD1 4.02Å; P201-Y213 HydrophobicContact CB-CD2 4.32Å; P201-Y213 HydrophobicContact CB-CE1 3.93Å; P201-Y213 HydrophobicContact CB-CE2 4.25Å; P201-Y213 HydrophobicContact CB-CG 4.23Å; P201-Y213 HydrophobicContact CG-CE1 4.15Å; E205-Y213 HydrophobicContact CB-CG 4.45Å; E205-Y213 HydrophobicContact CG-CD2 3.94Å; E205-Y213 HydrophobicContact CG-CG 4.1Å; F210-Y213 PolarHBondContact O-N 2.9Å; F210-Y213 VanDerWaalsContact O-N 3.15Å; Y213-N215 PolarHBondContact O-N 2.82Å; Y213-R216 PolarHBondContact O-N 2.88Å; Y213-F217 AromaticContact CD2-CD2 3.41Å; Y213-F217 HydrophobicContact CD2-CD2 3.41Å; Y213-F217 VanDerWaalsContact CD2-CD2 3.41Å; Y213-F217 AromaticContact CD2-CE2 3.75Å; Y213-F217 HydrophobicContact CD2-CE2 3.75Å; Y213-F217 HydrophobicContact CD2-CG 4.42Å; Y213-F217 AromaticContact CE2-CD2 3.7Å; Y213-F217 HydrophobicContact CE2-CD2 3.7Å; Y213-F217 HydrophobicContact CE2-CE2 4.19Å; Y213-F217 HydrophobicContact CE2-CG 4.33Å; Y213-F217 HydrophobicContact CG-CD2 4.11Å; Y213-F217 PolarHBondContact O-N 3.09Å; Y213-S225 VanDerWaalsContact CE1-O 3.32Å; Y213-S225 WeakPolarHBondContact CE1-O 3.48Å; Y213-S225 PolarHBondContact OH-O 3.24Å; Y213-L226 HydrophobicContact CD1-CD2 4.4Å; Y213-L226 HydrophobicContact CE1-CD2 4.41Å
214	R	97.8	Very high	96.6	Very high	34 Å²	34	37.5 Å²	37.5	13%	0.128	20%	0.197	C	C	.	.	H	α-helix	trans	-58.8	-34.4	-178.6	-68.7	178.3	-177.4	-151.1	3.1	112.6	N209 F210 E224 L226	N209-R214 PolarHBondContact O-NE 2.8Å; N209-R214 PolarHBondContact OD1-NH2 3.43Å; F210-R214 HydrophobicContact CB-CG 4.04Å; F210-R214 WeakPolarHBondContact O-CB 3.46Å; F210-R214 VanDerWaalsContact O-CG 3.29Å; F210-R214 WeakPolarHBondContact O-CG 3.23Å; F210-R214 PolarHBondContact O-N 2.8Å; R214-E224 HydrophobicContact CG-CB 4.2Å; R214-E224 IonicContact CZ-OE2 2.99Å; R214-E224 IonicContact NH1-OE1 2.85Å; R214-E224 PolarHBondContact NH1-OE1 3.11Å; R214-E224 VanDerWaalsContact NH1-OE1 3.16Å; R214-E224 IonicContact NH1-OE2 3.95Å; R214-E224 PolarHBondContact NH1-OE2 2.76Å; R214-L226 HydrophobicContact CG-CD2 4.26Å
215	N	98.1	Very high	96.5	Very high	43 Å²	43	36.8 Å²	36.8	23%	0.23	19%	0.194	C	C	.	.	H	α-helix	trans	-88.3	-31	-179.7	-76.3	-84	0	0	0	113.1	F79 I91 R93 S211 N212 Y213	F79-N215 HydrophobicContact CB-CB 4.06Å; F79-N215 HydrophobicContact CD1-CB 3.87Å; F79-N215 HydrophobicContact CD2-CB 3.85Å; F79-N215 WeakPolarHBondContact CD2-ND2 3.39Å; F79-N215 HydrophobicContact CE1-CB 4.3Å; F79-N215 HydrophobicContact CE2-CB 4.31Å; F79-N215 HydrophobicContact CG-CB 3.65Å; I91-N215 WeakPolarHBondContact CG2-O 3.48Å; R93-N215 PolarHBondContact NH2-O 2.87Å; S211-N215 VanDerWaalsContact O-CB 3.26Å; S211-N215 WeakPolarHBondContact O-CB 3.26Å; S211-N215 PolarHBondContact O-N 2.93Å; S211-N215 PolarHBondContact O-ND2 3.29Å; N212-N215 PolarHBondContact O-N 2.93Å; Y213-N215 PolarHBondContact O-N 2.82Å
216	R	98.1	Very high	96.5	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.008	19%	0.193	C	C	.	.	H	α-helix	trans	-84.2	-37.8	-176.6	-69.7	173.1	-176.4	-85.6	4.2	112.6	H33 M89 G178 D182 N212 Y213	H33-R216 PolarHBondContact CE1-O 3.49Å; H33-R216 PolarHBondContact NE2-O 3.42Å; M89-R216 PolarHBondContact SD-NH2 2.79Å; M89-R216 VanDerWaalsContact SD-NH2 3.35Å; G178-R216 PolarHBondContact O-NH2 2.88Å; G178-R216 VanDerWaalsContact O-NH2 3.15Å; D182-R216 IonicContact OD1-CZ 3.51Å; D182-R216 VanDerWaalsContact OD1-CZ 3.32Å; D182-R216 IonicContact OD1-NH1 3.92Å; D182-R216 PolarHBondContact OD1-NH1 3.14Å; D182-R216 IonicContact OD1-NH2 3.91Å; D182-R216 PolarHBondContact OD1-NH2 2.85Å; N212-R216 WeakPolarHBondContact O-CB 3.22Å; N212-R216 WeakPolarHBondContact O-CG 3.26Å; N212-R216 PolarHBondContact O-N 3.13Å; N212-R216 PolarHBondContact OD1-NE 2.85Å; N212-R216 PolarHBondContact OD1-NH2 2.84Å; Y213-R216 PolarHBondContact O-N 2.88Å
217	F	98.3	Very high	96.5	Very high	1 Å²	1	37.2 Å²	37.2	0%	0.004	20%	0.195	C	C	.	.			trans	-100.6	140.7	-176.6	-60.5	-76.3	0	0	0	113.1	F169 M173 M185 T199 Y213 M219 S225	F169-F217 HydrophobicContact CD1-CE2 4.2Å; F169-F217 AromaticContact CD1-CZ 3.67Å; F169-F217 HydrophobicContact CD1-CZ 3.67Å; F169-F217 HydrophobicContact CD2-CE2 4.16Å; F169-F217 HydrophobicContact CD2-CZ 4.43Å; F169-F217 HydrophobicContact CE1-CE1 4.3Å; F169-F217 HydrophobicContact CE1-CE2 4.27Å; F169-F217 AromaticContact CE1-CZ 3.75Å; F169-F217 HydrophobicContact CE1-CZ 3.75Å; F169-F217 HydrophobicContact CE2-CE2 4.29Å; F169-F217 HydrophobicContact CG-CE2 4.18Å; F169-F217 HydrophobicContact CG-CZ 4.06Å; F169-F217 HydrophobicContact CZ-CE2 4.38Å; F169-F217 HydrophobicContact CZ-CZ 4.27Å; M173-F217 HydrophobicContact CE-CE2 3.39Å; M173-F217 HydrophobicContact CE-CZ 3.59Å; M173-F217 HydrophobicContact SD-CE2 4.3Å; M185-F217 HydrophobicContact CE-CE1 4.09Å; M185-F217 HydrophobicContact CE-CZ 4.49Å; M185-F217 HydrophobicContact SD-CE1 3.96Å; M185-F217 HydrophobicContact SD-CZ 3.81Å; T199-F217 HydrophobicContact CG2-CD1 3.84Å; T199-F217 HydrophobicContact CG2-CE1 3.92Å; T199-F217 HydrophobicContact CG2-CG 4.34Å; T199-F217 HydrophobicContact CG2-CZ 4.48Å; Y213-F217 AromaticContact CD2-CD2 3.41Å; Y213-F217 HydrophobicContact CD2-CD2 3.41Å; Y213-F217 VanDerWaalsContact CD2-CD2 3.41Å; Y213-F217 AromaticContact CD2-CE2 3.75Å; Y213-F217 HydrophobicContact CD2-CE2 3.75Å; Y213-F217 HydrophobicContact CD2-CG 4.42Å; Y213-F217 AromaticContact CE2-CD2 3.7Å; Y213-F217 HydrophobicContact CE2-CD2 3.7Å; Y213-F217 HydrophobicContact CE2-CE2 4.19Å; Y213-F217 HydrophobicContact CE2-CG 4.33Å; Y213-F217 HydrophobicContact CG-CD2 4.11Å; Y213-F217 PolarHBondContact O-N 3.09Å; F217-M219 HydrophobicContact CB-CE 4.32Å; F217-S225 PolarHBondContact O-OG 3.39Å
218	S	97.5	Very high	96.6	Very high	11 Å²	11	33.5 Å²	33.5	8%	0.077	18%	0.177	C	C	.	.			trans	-113	95.4	178.9	-57.4	0	0	0	0	109.9	S35 T46 R93	S35-S218 VanDerWaalsContact CB-O 3.26Å; S35-S218 WeakPolarHBondContact CB-O 3.43Å; S35-S218 PolarHBondContact OG-O 2.7Å; T46-S218 WeakPolarHBondContact OG1-CB 3.39Å; T46-S218 PolarHBondContact OG1-OG 3.05Å; R93-S218 WeakPolarHBondContact CD-OG 3.09Å; R93-S218 PolarHBondContact NE-OG 3.05Å
219	M	98.1	Very high	96.7	Very high	15 Å²	15	31 Å²	31	7%	0.074	17%	0.172	C	C	.	.			trans	-102.4	154	176.5	-62.1	-61.4	110.9	0	0	110.8	Y197 M198 T199 F217 S225 Y228	Y197-M219 VanDerWaalsContact O-CE 3.29Å; Y197-M219 WeakPolarHBondContact O-CE 3.34Å; M198-M219 HydrophobicContact CB-SD 4.49Å; M198-M219 HydrophobicContact CE-SD 3.95Å; M198-M219 HydrophobicContact SD-SD 4.4Å; T199-M219 PolarHBondContact N-SD 3.28Å; T199-M219 VanDerWaalsContact N-SD 3.39Å; F217-M219 HydrophobicContact CB-CE 4.32Å; M219-S225 PolarHBondContact N-OG 3.42Å; M219-Y228 HydrophobicContact CB-CD1 3.54Å; M219-Y228 HydrophobicContact CB-CE1 3.45Å; M219-Y228 VanDerWaalsContact CB-CE1 3.45Å; M219-Y228 HydrophobicContact CB-CG 4.15Å; M219-Y228 HydrophobicContact CG-CD1 4.02Å; M219-Y228 HydrophobicContact CG-CE1 3.39Å; M219-Y228 HydrophobicContact SD-CE1 3.82Å; M219-Y228 HydrophobicContact SD-CE2 4.35Å; M219-Y228 VanDerWaalsContact SD-CZ 3.56Å; M219-Y228 PolarHBondContact SD-OH 2.73Å
220	P	96.9	Very high	96.7	Very high	6 Å²	6	29 Å²	29	4%	0.039	16%	0.16	C	C	.	.	S	Bend	trans	-65.9	157.4	-179.1	29.6	-37.2	0	0	0	111.6	Y36 G38 M198 Y228	Y36-P220 HydrophobicContact CD1-CB 4.4Å; Y36-P220 HydrophobicContact CD1-CG 4.2Å; Y36-P220 WeakPolarHBondContact O-CD 3.1Å; G38-P220 VanDerWaalsContact CA-CB 3.43Å; M198-P220 HydrophobicContact CE-CG 4.21Å; P220-Y228 HydrophobicContact CG-CD2 3.52Å; P220-Y228 HydrophobicContact CG-CE2 4.1Å; P220-Y228 HydrophobicContact CG-CG 4.08Å; P220-Y228 WeakPolarHBondContact O-CB 3.27Å
221	G	91.4	Very high	96.7	Very high	61 Å²	61	32 Å²	32	63%	0.629	18%	0.177	S	C	*	.	S	Bend	trans	91.3	173.2	-177.6	0	0	0	0	0	113.3
222	Q	89.9	Confident	96.7	Very high	203 Å²	203	31.3 Å²	31.3	95%	0.949	17%	0.172	S	C	*	.	S	Bend	trans	-109.2	51.7	-176.3	-66.3	-174.8	-20.1	0	0	110.8
223	T	92.4	Very high	96.6	Very high	22 Å²	22	31.3 Å²	31.3	14%	0.135	17%	0.173	C	C	.	.	S	Bend	trans	-126.2	16.4	-170	52.7	0	0	0	0	112.3	S225 L226 W227	T223-S225 PolarHBondContact O-N 3.45Å; T223-L226 WeakPolarHBondContact O-CB 3.27Å; T223-L226 PolarHBondContact O-N 2.89Å; T223-L226 VanDerWaalsContact O-N 3.08Å; T223-W227 WeakPolarHBondContact CB-O 3.01Å; T223-W227 HydrophobicContact CG2-CG 4.48Å; T223-W227 WeakPolarHBondContact CG2-O 3.05Å; T223-W227 PolarHBondContact OG1-O 2.58Å
224	E	92.6	Very high	96.6	Very high	116 Å²	116	31.3 Å²	31.3	54%	0.542	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	34.6	-178	-53.5	176.2	102.1	0	0	112.4	R214 L226	R214-E224 HydrophobicContact CG-CB 4.2Å; R214-E224 IonicContact CZ-OE2 2.99Å; R214-E224 IonicContact NH1-OE1 2.85Å; R214-E224 PolarHBondContact NH1-OE1 3.11Å; R214-E224 VanDerWaalsContact NH1-OE1 3.16Å; R214-E224 IonicContact NH1-OE2 3.95Å; R214-E224 PolarHBondContact NH1-OE2 2.76Å; E224-L226 PolarHBondContact O-N 2.86Å; E224-L226 VanDerWaalsContact O-N 3.14Å
225	S	96.3	Very high	96.7	Very high	8 Å²	8	29.7 Å²	29.7	6%	0.056	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	4.5	-177.9	-51.9	0	0	0	0	116.5	Y213 F217 M219 T223	Y213-S225 VanDerWaalsContact CE1-O 3.32Å; Y213-S225 WeakPolarHBondContact CE1-O 3.48Å; Y213-S225 PolarHBondContact OH-O 3.24Å; F217-S225 PolarHBondContact O-OG 3.39Å; M219-S225 PolarHBondContact N-OG 3.42Å; T223-S225 PolarHBondContact O-N 3.45Å
226	L	97.6	Very high	96.7	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	16%	0.159	C	C	.	.	S	Bend	trans	-72.4	-37.1	-175.9	-62.1	175.1	0	0	0	113.1	P201 F210 Y213 R214 T223 E224 S241	P201-L226 HydrophobicContact CG-CD2 4.24Å; F210-L226 HydrophobicContact CB-CD2 4.31Å; F210-L226 HydrophobicContact CG-CD2 4.33Å; Y213-L226 HydrophobicContact CD1-CD2 4.4Å; Y213-L226 HydrophobicContact CE1-CD2 4.41Å; R214-L226 HydrophobicContact CG-CD2 4.26Å; T223-L226 WeakPolarHBondContact O-CB 3.27Å; T223-L226 PolarHBondContact O-N 2.89Å; T223-L226 VanDerWaalsContact O-N 3.08Å; E224-L226 PolarHBondContact O-N 2.86Å; E224-L226 VanDerWaalsContact O-N 3.14Å; L226-S241 WeakPolarHBondContact O-CB 3.27Å; L226-S241 PolarHBondContact O-N 3.39Å
227	W	98.4	Very high	96.7	Very high	18 Å²	18	28.2 Å²	28.2	7%	0.068	16%	0.158	C	C	.	.	S	Bend	trans	-154	144.2	174.8	57	82.6	0	0	0	110.1	T223 S239 I244 L254 K257 Q258 W261	T223-W227 WeakPolarHBondContact CB-O 3.01Å; T223-W227 HydrophobicContact CG2-CG 4.48Å; T223-W227 WeakPolarHBondContact CG2-O 3.05Å; T223-W227 PolarHBondContact OG1-O 2.58Å; W227-S239 CarbonylContact C-O 3.55Å; W227-S239 VanDerWaalsContact CA-O 3.24Å; W227-S239 WeakPolarHBondContact CA-O 3.18Å; W227-S239 WeakPolarHBondContact CB-O 3.43Å; W227-I244 HydrophobicContact CZ3-CD1 4.42Å; W227-I244 HydrophobicContact CZ3-CG2 4.3Å; W227-L254 HydrophobicContact CH2-CD2 3.99Å; W227-K257 HydrophobicContact CZ2-CB 4.25Å; W227-Q258 HydrophobicContact CB-CG 4.25Å; W227-Q258 HydrophobicContact CD2-CB 3.92Å; W227-Q258 HydrophobicContact CD2-CG 3.89Å; W227-Q258 HydrophobicContact CE3-CB 4.02Å; W227-Q258 HydrophobicContact CE3-CG 4.14Å; W227-Q258 HydrophobicContact CG-CB 4.44Å; W227-Q258 HydrophobicContact CG-CG 3.94Å; W227-Q258 HydrophobicContact CH2-CB 4.39Å; W227-Q258 HydrophobicContact CZ2-CB 4.3Å; W227-Q258 HydrophobicContact CZ3-CB 4.25Å; W227-W261 HydrophobicContact CB-CE3 4.41Å; W227-W261 HydrophobicContact CB-CZ3 4.07Å; W227-W261 AromaticContact CD1-CD2 3.41Å; W227-W261 VanDerWaalsContact CD1-CD2 3.41Å; W227-W261 AromaticContact CD1-CE2 3.92Å; W227-W261 AromaticContact CD1-CE3 3.29Å; W227-W261 AromaticContact CD1-CG 3.97Å; W227-W261 AromaticContact CD1-CZ3 3.72Å; W227-W261 HydrophobicContact CG-CE3 4.06Å; W227-W261 HydrophobicContact CG-CZ3 4.21Å; W227-W261 AromaticContact NE1-CD2 3.83Å; W227-W261 AromaticContact NE1-CE3 3.98Å; W227-W261 AromaticContact NE1-CG 3.87Å
228	Y	98.8	Very high	96.8	Very high	3 Å²	3	28.2 Å²	28.2	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	169.1	-176.8	60	-86.8	0	0	0	110.4	M198 T199 M219 P220 W230 S239 W261	M198-Y228 HydrophobicContact CE-CE2 3.67Å; T199-Y228 PolarHBondContact N-OH 2.71Å; T199-Y228 WeakPolarHBondContact O-CE1 3.39Å; T199-Y228 VanDerWaalsContact O-CZ 3.3Å; T199-Y228 PolarHBondContact O-OH 3.24Å; M219-Y228 HydrophobicContact CB-CD1 3.54Å; M219-Y228 HydrophobicContact CB-CE1 3.45Å; M219-Y228 VanDerWaalsContact CB-CE1 3.45Å; M219-Y228 HydrophobicContact CB-CG 4.15Å; M219-Y228 HydrophobicContact CG-CD1 4.02Å; M219-Y228 HydrophobicContact CG-CE1 3.39Å; M219-Y228 HydrophobicContact SD-CE1 3.82Å; M219-Y228 HydrophobicContact SD-CE2 4.35Å; M219-Y228 VanDerWaalsContact SD-CZ 3.56Å; M219-Y228 PolarHBondContact SD-OH 2.73Å; P220-Y228 HydrophobicContact CG-CD2 3.52Å; P220-Y228 HydrophobicContact CG-CE2 4.1Å; P220-Y228 HydrophobicContact CG-CG 4.08Å; P220-Y228 WeakPolarHBondContact O-CB 3.27Å; Y228-W230 AromaticContact CE2-CD1 3.83Å; Y228-S239 WeakPolarHBondContact CE1-OG 3.33Å; Y228-S239 PolarHBondContact N-O 3.24Å; Y228-S239 PolarHBondContact O-N 2.98Å; Y228-W261 WeakPolarHBondContact O-CH2 3.01Å
229	S	98.7	Very high	96.8	Very high	31 Å²	31	27.7 Å²	27.7	22%	0.217	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	157.3	173.2	68.5	0	0	0	0	110.4	I237 D265	S229-I237 CarbonylContact C-O 3.18Å; S229-I237 WeakPolarHBondContact CA-O 3.42Å; S229-D265 WeakPolarHBondContact CB-OD1 3.39Å; S229-D265 VanDerWaalsContact CB-OD2 3.28Å; S229-D265 WeakPolarHBondContact CB-OD2 3.38Å; S229-D265 PolarHBondContact OG-OD1 2.73Å; S229-D265 PolarHBondContact OG-OD2 3.06Å
230	W	98.1	Very high	96.8	Very high	7 Å²	7	27 Å²	27	3%	0.027	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	167.6	179.1	66.3	-62.2	0	0	0	111.5	Y36 L124 V162 L164 M198 Y228 V232 I237	Y36-W230 HydrophobicContact CD1-CB 3.76Å; Y36-W230 HydrophobicContact CD1-CD2 4.36Å; Y36-W230 AromaticContact CD1-CE3 3.93Å; Y36-W230 HydrophobicContact CD1-CE3 3.93Å; Y36-W230 HydrophobicContact CD1-CG 4.35Å; Y36-W230 HydrophobicContact CE1-CB 3.81Å; Y36-W230 HydrophobicContact CG-CE3 4.11Å; L124-W230 HydrophobicContact CD1-CZ3 4.09Å; V162-W230 HydrophobicContact CB-CH2 4.34Å; V162-W230 HydrophobicContact CG1-CH2 3.6Å; V162-W230 HydrophobicContact CG1-CZ2 3.88Å; V162-W230 HydrophobicContact CG2-CH2 3.76Å; V162-W230 HydrophobicContact CG2-CZ3 4.48Å; L164-W230 HydrophobicContact CD2-CZ2 4.17Å; M198-W230 HydrophobicContact CB-CZ2 4.37Å; M198-W230 HydrophobicContact CE-CD2 4.25Å; M198-W230 HydrophobicContact CE-CG 4.46Å; M198-W230 HydrophobicContact CG-CH2 4.04Å; M198-W230 HydrophobicContact CG-CZ2 3.67Å; Y228-W230 AromaticContact CE2-CD1 3.83Å; W230-V232 HydrophobicContact CE3-CB 4.18Å; W230-V232 HydrophobicContact CE3-CG1 4.42Å; W230-V232 HydrophobicContact CH2-CB 4.11Å; W230-V232 HydrophobicContact CH2-CG1 3.94Å; W230-V232 HydrophobicContact CH2-CG2 4.46Å; W230-V232 HydrophobicContact CZ2-CG1 4.29Å; W230-V232 HydrophobicContact CZ3-CB 3.72Å; W230-V232 HydrophobicContact CZ3-CG1 4.01Å; W230-V232 HydrophobicContact CZ3-CG2 4.21Å; W230-I237 HydrophobicContact CZ2-CD1 3.98Å; W230-I237 PolarHBondContact N-O 2.86Å; W230-I237 PolarHBondContact O-N 3.05Å
231	N	97.8	Very high	96.9	Very high	66 Å²	66	26.7 Å²	26.7	35%	0.353	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.6	-174	-72.6	-29.6	0	0	0	110.6	A235 H236 R278	N231-A235 WeakPolarHBondContact CA-O 3.47Å; N231-H236 PolarHBondContact OD1-ND1 3.08Å; N231-R278 VanDerWaalsContact OD1-CD 3.27Å; N231-R278 WeakPolarHBondContact OD1-CD 3.33Å
232	V	97.3	Very high	97.2	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.03	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	118.1	177	59	0	0	0	0	110.1	W130 P132 F134 W230 S234 A235 I237	W130-V232 HydrophobicContact CH2-CG2 4.28Å; W130-V232 HydrophobicContact CZ2-CG2 3.58Å; P132-V232 HydrophobicContact CB-CG2 3.91Å; P132-V232 HydrophobicContact CG-CG2 4.22Å; F134-V232 HydrophobicContact CE1-CG1 4.02Å; F134-V232 HydrophobicContact CZ-CG1 3.7Å; F134-V232 HydrophobicContact CZ-CG2 4.41Å; W230-V232 HydrophobicContact CE3-CB 4.18Å; W230-V232 HydrophobicContact CE3-CG1 4.42Å; W230-V232 HydrophobicContact CH2-CB 4.11Å; W230-V232 HydrophobicContact CH2-CG1 3.94Å; W230-V232 HydrophobicContact CH2-CG2 4.46Å; W230-V232 HydrophobicContact CZ2-CG1 4.29Å; W230-V232 HydrophobicContact CZ3-CB 3.72Å; W230-V232 HydrophobicContact CZ3-CG1 4.01Å; W230-V232 HydrophobicContact CZ3-CG2 4.21Å; V232-S234 PolarHBondContact O-N 2.99Å; V232-A235 PolarHBondContact N-O 3.27Å; V232-A235 PolarHBondContact O-N 3.16Å; V232-I237 HydrophobicContact CG1-CD1 3.55Å; V232-I237 HydrophobicContact CG1-CG1 4.22Å
233	G	96.8	Very high	97.6	Very high	4 Å²	4	14.1 Å²	14.1	4%	0.041	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-133.6	-172.3	0	0	0	0	0	111.6	S127 T128 A235	S127-G233 WeakPolarHBondContact O-CA 3.16Å; T128-G233 CarbonylContact O-C 3.41Å; G233-A235 PolarHBondContact O-N 3.39Å
234	S	98.1	Very high	97.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	12.6	175.7	56	0	0	0	0	114.1	T128 V232 R278 P279 W280 V405 N407	T128-S234 WeakPolarHBondContact O-CB 3.06Å; T128-S234 PolarHBondContact O-N 2.9Å; V232-S234 PolarHBondContact O-N 2.99Å; S234-R278 CarbonylContact O-C 3.57Å; S234-R278 VanDerWaalsContact O-CA 3.3Å; S234-R278 WeakPolarHBondContact O-CA 3.32Å; S234-P279 WeakPolarHBondContact O-CD 3.05Å; S234-W280 PolarHBondContact O-N 2.99Å; S234-V405 VanDerWaalsContact OG-CG1 3.25Å; S234-V405 WeakPolarHBondContact OG-CG1 3.45Å; S234-N407 PolarHBondContact OG-O 3.19Å
235	A	98.6	Very high	98	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	139.1	-178.3	0	0	0	0	0	112.7	N231 V232 G233 I237 W280 I282 V405	N231-A235 WeakPolarHBondContact CA-O 3.47Å; V232-A235 PolarHBondContact N-O 3.27Å; V232-A235 PolarHBondContact O-N 3.16Å; G233-A235 PolarHBondContact O-N 3.39Å; A235-I237 HydrophobicContact CB-CG1 4.3Å; A235-W280 CarbonylContact C-O 3.56Å; A235-W280 WeakPolarHBondContact CA-O 3.22Å; A235-W280 HydrophobicContact CB-CB 4.04Å; A235-I282 HydrophobicContact CB-CD1 4.17Å; A235-V405 HydrophobicContact CB-CG2 4.2Å
236	H	98.9	Very high	97.9	Very high	14 Å²	14	9.8 Å²	9.8	7%	0.065	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.4	161.3	-177.6	69	0	0	0	107.7	N231 D265 W280 I281 I282	N231-H236 PolarHBondContact OD1-ND1 3.08Å; H236-D265 IonicContact CE1-OD1 3.63Å; H236-D265 IonicContact CE1-OD2 3.75Å; H236-D265 IonicContact NE2-OD1 3.28Å; H236-D265 IonicContact NE2-OD2 3.52Å; H236-D265 PolarHBondContact NE2-OD2 2.67Å; H236-W280 PolarHBondContact N-O 3.26Å; H236-I281 HydrophobicContact CB-CG1 4.15Å; H236-I281 WeakPolarHBondContact O-CA 3.34Å; H236-I282 PolarHBondContact O-N 3.08Å
237	I	98.9	Very high	97.9	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	131.8	-176.1	-58.9	179.5	0	0	0	108.8	F134 S229 W230 V232 A235 I282	F134-I237 HydrophobicContact CE1-CD1 3.71Å; F134-I237 HydrophobicContact CZ-CD1 3.97Å; S229-I237 CarbonylContact C-O 3.18Å; S229-I237 WeakPolarHBondContact CA-O 3.42Å; W230-I237 HydrophobicContact CZ2-CD1 3.98Å; W230-I237 PolarHBondContact N-O 2.86Å; W230-I237 PolarHBondContact O-N 3.05Å; V232-I237 HydrophobicContact CG1-CD1 3.55Å; V232-I237 HydrophobicContact CG1-CG1 4.22Å; A235-I237 HydrophobicContact CB-CG1 4.3Å; I237-I282 CarbonylContact C-O 3.5Å; I237-I282 WeakPolarHBondContact CA-O 3.32Å; I237-I282 HydrophobicContact CG1-CB 4.38Å
238	I	98.9	Very high	97.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	120.5	-177.5	-55.8	175.5	0	0	0	108.6	L240 W261 L262 D265 L266 I281 I282 T283 M284	I238-L240 HydrophobicContact CG2-CD2 3.87Å; I238-L240 HydrophobicContact CG2-CG 4.26Å; I238-W261 HydrophobicContact CG2-CH2 3.91Å; I238-W261 HydrophobicContact CG2-CZ3 4.11Å; I238-L262 HydrophobicContact CD1-CD1 4.13Å; I238-L262 HydrophobicContact CG2-CD1 3.7Å; I238-D265 WeakPolarHBondContact CD1-OD2 3.4Å; I238-D265 WeakPolarHBondContact CG1-OD2 3.28Å; I238-L266 HydrophobicContact CD1-CD2 3.62Å; I238-L266 HydrophobicContact CD1-CG 4.2Å; I238-I281 HydrophobicContact CD1-CG2 3.96Å; I238-I282 PolarHBondContact N-O 3.14Å; I238-T283 HydrophobicContact CB-CG2 4.23Å; I238-T283 CarbonylContact O-C 3.55Å; I238-T283 VanDerWaalsContact O-CA 3.24Å; I238-T283 WeakPolarHBondContact O-CA 2.96Å; I238-M284 PolarHBondContact O-N 3.28Å
239	S	98.8	Very high	97.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	132.6	172.3	176.1	0	0	0	0	110	T199 C200 W227 Y228 M284	T199-S239 PolarHBondContact O-OG 2.73Å; T199-S239 VanDerWaalsContact O-OG 3.07Å; C200-S239 VanDerWaalsContact CB-OG 3.23Å; C200-S239 WeakPolarHBondContact CB-OG 3.33Å; W227-S239 CarbonylContact C-O 3.55Å; W227-S239 VanDerWaalsContact CA-O 3.24Å; W227-S239 WeakPolarHBondContact CA-O 3.18Å; W227-S239 WeakPolarHBondContact CB-O 3.43Å; Y228-S239 WeakPolarHBondContact CE1-OG 3.33Å; Y228-S239 PolarHBondContact N-O 3.24Å; Y228-S239 PolarHBondContact O-N 2.98Å; S239-M284 WeakPolarHBondContact CA-O 3.42Å
240	L	98.6	Very high	97.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.			trans	-122.5	144.4	-176	-58.3	171.6	0	0	0	110.3	I238 W261 L262 T283 M284 L320	I238-L240 HydrophobicContact CG2-CD2 3.87Å; I238-L240 HydrophobicContact CG2-CG 4.26Å; L240-W261 HydrophobicContact CD2-CZ3 4.19Å; L240-L262 HydrophobicContact CD1-CD2 4.49Å; L240-L262 HydrophobicContact CD2-CD1 3.96Å; L240-L262 HydrophobicContact CD2-CD2 3.85Å; L240-L262 HydrophobicContact CD2-CG 4.37Å; L240-T283 HydrophobicContact CD1-CG2 4.41Å; L240-M284 PolarHBondContact N-O 2.83Å; L240-L320 HydrophobicContact CD1-CD1 4.02Å
241	S	98.5	Very high	97.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.			trans	-88.5	113.5	162	-177.6	0	0	0	0	108.7	P201 L226 E243 I244 Q258	P201-S241 WeakPolarHBondContact CG-OG 3.42Å; L226-S241 WeakPolarHBondContact O-CB 3.27Å; L226-S241 PolarHBondContact O-N 3.39Å; S241-E243 VanDerWaalsContact C-N 3.29Å; S241-E243 PolarHBondContact OG-N 3.49Å; S241-I244 WeakPolarHBondContact O-CG1 3.31Å; S241-Q258 PolarHBondContact O-NE2 2.93Å; S241-Q258 PolarHBondContact O-OE1 3.3Å
242	T	98.1	Very high	97	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-76	-25	169.1	42.7	0	0	0	0	111.4	I244 Y245 F246 H286 R287 V306 W334	T242-I244 VanDerWaalsContact C-N 3.31Å; T242-I244 PolarHBondContact O-N 3.15Å; T242-Y245 WeakPolarHBondContact O-CB 3.46Å; T242-Y245 WeakPolarHBondContact O-CD2 3.48Å; T242-Y245 PolarHBondContact O-N 3.38Å; T242-Y245 VanDerWaalsContact O-N 3.12Å; T242-F246 WeakPolarHBondContact O-CD2 3.44Å; T242-H286 WeakPolarHBondContact OG1-CB 3.43Å; T242-H286 PolarHBondContact OG1-N 3.43Å; T242-R287 HydrophobicContact CG2-CB 4.4Å; T242-R287 WeakPolarHBondContact CG2-O 3.38Å; T242-R287 PolarHBondContact OG1-N 3.48Å; T242-V306 HydrophobicContact CG2-CG1 3.98Å; T242-V306 HydrophobicContact CG2-CG2 3.94Å; T242-W334 HydrophobicContact CG2-CZ3 4Å
243	E	97.6	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-69.8	-25.1	-170.5	-51.9	-42.9	109.8	0	0	113.8	G202 N203 F210 S241 Y245 F246 F247 H286 R287	G202-E243 VanDerWaalsContact C-CG 3.42Å; G202-E243 WeakPolarHBondContact O-CG 3.35Å; N203-E243 VanDerWaalsContact CA-OE2 3.31Å; N203-E243 WeakPolarHBondContact CA-OE2 3.22Å; N203-E243 WeakPolarHBondContact CB-OE2 3.29Å; N203-E243 PolarHBondContact N-OE2 3.32Å; F210-E243 HydrophobicContact CE1-CB 3.75Å; F210-E243 HydrophobicContact CE1-CG 4.1Å; F210-E243 HydrophobicContact CZ-CB 3.56Å; F210-E243 HydrophobicContact CZ-CG 4.41Å; S241-E243 VanDerWaalsContact C-N 3.29Å; S241-E243 PolarHBondContact OG-N 3.49Å; E243-Y245 PolarHBondContact O-N 2.86Å; E243-F246 PolarHBondContact O-N 3.23Å; E243-F247 HydrophobicContact CB-CD2 3.85Å; E243-F247 HydrophobicContact CB-CE2 4.04Å; E243-F247 WeakPolarHBondContact O-CD2 3.23Å; E243-F247 PolarHBondContact O-N 3.44Å; E243-H286 IonicContact OE1-CD2 2.72Å; E243-R287 IonicContact OE1-NE 2.82Å; E243-R287 IonicContact OE2-CZ 3.63Å; E243-R287 IonicContact OE2-NE 2.85Å; E243-R287 PolarHBondContact OE2-NE 3.06Å
244	I	96.7	Very high	97	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-61.1	-18.2	174.3	65.8	-178.8	0	0	0	112.9	W227 S241 T242 F246 L254 I255 Q258	W227-I244 HydrophobicContact CZ3-CD1 4.42Å; W227-I244 HydrophobicContact CZ3-CG2 4.3Å; S241-I244 WeakPolarHBondContact O-CG1 3.31Å; T242-I244 VanDerWaalsContact C-N 3.31Å; T242-I244 PolarHBondContact O-N 3.15Å; I244-F246 VanDerWaalsContact C-N 3.33Å; I244-L254 HydrophobicContact CB-CB 4.15Å; I244-L254 HydrophobicContact CG2-CB 3.97Å; I244-L254 HydrophobicContact CG2-CD1 4.27Å; I244-I255 HydrophobicContact CB-CG1 4.34Å; I244-I255 HydrophobicContact CD1-CG1 4.48Å; I244-I255 HydrophobicContact CG1-CG1 4.12Å; I244-I255 WeakPolarHBondContact O-CD1 3.42Å; I244-I255 WeakPolarHBondContact O-CG1 3.22Å; I244-Q258 HydrophobicContact CD1-CB 3.54Å; I244-Q258 VanDerWaalsContact CD1-CD 3.45Å; I244-Q258 HydrophobicContact CD1-CG 4.09Å
245	Y	96.4	Very high	96.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-77.9	-17	172.8	-72.9	-94.7	0	0	0	113.1	T242 E243 I255 Y305 R310 P318 L320	T242-Y245 WeakPolarHBondContact O-CB 3.46Å; T242-Y245 WeakPolarHBondContact O-CD2 3.48Å; T242-Y245 PolarHBondContact O-N 3.38Å; T242-Y245 VanDerWaalsContact O-N 3.12Å; E243-Y245 PolarHBondContact O-N 2.86Å; Y245-I255 HydrophobicContact CD1-CD1 4.4Å; Y245-I255 HydrophobicContact CD1-CG2 4.25Å; Y245-I255 HydrophobicContact CE1-CG2 3.65Å; Y245-I255 HydrophobicContact CE2-CG2 4.27Å; Y245-Y305 VanDerWaalsContact CD1-O 3.3Å; Y245-Y305 WeakPolarHBondContact CD1-O 3.47Å; Y245-Y305 WeakPolarHBondContact CE1-O 3.4Å; Y245-R310 HydrophobicContact CD1-CG 4.4Å; Y245-R310 WeakPolarHBondContact O-CD 3.37Å; Y245-R310 PolarHBondContact O-NH1 2.88Å; Y245-P318 VanDerWaalsContact CE1-O 3.23Å; Y245-P318 WeakPolarHBondContact CE1-O 3.22Å; Y245-P318 PolarHBondContact OH-O 2.87Å; Y245-L320 HydrophobicContact CE2-CD1 4.37Å; Y245-L320 HydrophobicContact CE2-CG 4.42Å; Y245-L320 WeakPolarHBondContact OH-CD2 3.29Å
246	F	95.4	Very high	96.9	Very high	52 Å²	52	30.8 Å²	30.8	23%	0.228	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-33.9	-172.1	-62.7	-97.7	0	0	0	112.4	T242 E243 I244 L248 D298 Y305 V306	T242-F246 WeakPolarHBondContact O-CD2 3.44Å; E243-F246 PolarHBondContact O-N 3.23Å; I244-F246 VanDerWaalsContact C-N 3.33Å; F246-L248 PolarHBondContact O-N 3.37Å; F246-D298 WeakPolarHBondContact CE1-OD1 3.48Å; F246-Y305 HydrophobicContact CD1-CD2 4.17Å; F246-Y305 AromaticContact CE1-CD2 3.74Å; F246-Y305 HydrophobicContact CE1-CD2 3.74Å; F246-Y305 HydrophobicContact CZ-CD2 4.15Å; F246-V306 HydrophobicContact CE2-CG2 3.86Å; F246-V306 HydrophobicContact CZ-CG2 4.39Å
247	F	95.7	Very high	96.9	Very high	64 Å²	64	35.6 Å²	35.6	28%	0.281	18%	0.177	S	C	.	.			trans	-100.5	63.9	-179.8	-57.8	-82.2	0	0	0	112.4	N203 A206 F210 E243 D249 Y250	N203-F247 HydrophobicContact CB-CE2 3.99Å; N203-F247 HydrophobicContact CB-CZ 3.92Å; A206-F247 HydrophobicContact CB-CD1 3.75Å; A206-F247 HydrophobicContact CB-CD2 3.88Å; A206-F247 HydrophobicContact CB-CE1 3.46Å; A206-F247 VanDerWaalsContact CB-CE1 3.46Å; A206-F247 HydrophobicContact CB-CE2 3.63Å; A206-F247 HydrophobicContact CB-CG 3.95Å; A206-F247 HydrophobicContact CB-CZ 3.4Å; A206-F247 VanDerWaalsContact CB-CZ 3.4Å; F210-F247 AromaticContact CZ-CD2 3.95Å; F210-F247 HydrophobicContact CZ-CD2 3.95Å; F210-F247 HydrophobicContact CZ-CG 4.45Å; E243-F247 HydrophobicContact CB-CD2 3.85Å; E243-F247 HydrophobicContact CB-CE2 4.04Å; E243-F247 WeakPolarHBondContact O-CD2 3.23Å; E243-F247 PolarHBondContact O-N 3.44Å; F247-D249 PolarHBondContact O-N 3.49Å; F247-Y250 HydrophobicContact CB-CD2 3.6Å; F247-Y250 HydrophobicContact CB-CE2 3.92Å; F247-Y250 HydrophobicContact CD1-CE2 4.41Å; F247-Y250 HydrophobicContact CG-CD2 4.46Å; F247-Y250 HydrophobicContact CG-CE2 4.34Å; F247-Y250 PolarHBondContact O-N 2.93Å
248	L	95.3	Very high	96.9	Very high	42 Å²	42	35.6 Å²	35.6	22%	0.22	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-63.3	-23.7	-174.4	-59	-172.9	0	0	0	114.2	F246 Y250 G251 V252 I255 T313	F246-L248 PolarHBondContact O-N 3.37Å; L248-Y250 PolarHBondContact O-N 2.76Å; L248-G251 PolarHBondContact O-N 2.84Å; L248-V252 HydrophobicContact CB-CG2 3.92Å; L248-V252 HydrophobicContact CD1-CG2 4.43Å; L248-V252 HydrophobicContact CD2-CG2 4.26Å; L248-V252 HydrophobicContact CG-CG2 4.43Å; L248-V252 PolarHBondContact O-N 3.23Å; L248-I255 HydrophobicContact CD2-CD1 3.7Å; L248-T313 HydrophobicContact CD1-CG2 4.04Å
249	D	95.5	Very high	96.8	Very high	169 Å²	169	37.9 Å²	37.9	90%	0.904	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	-63.8	-20.5	178.3	-67	-39.3	0	0	0	112.7	F247 G251	F247-D249 PolarHBondContact O-N 3.49Å; D249-G251 VanDerWaalsContact C-N 3.32Å
250	Y	94.3	Very high	96.8	Very high	74 Å²	74	42.2 Å²	42.2	29%	0.29	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-84.3	-5.4	173.7	-60	-41.5	0	0	0	114.2	A206 N209 F210 F247 L248	A206-Y250 HydrophobicContact CB-CE2 4.38Å; A206-Y250 VanDerWaalsContact O-CE2 3.22Å; A206-Y250 WeakPolarHBondContact O-CE2 3.48Å; A206-Y250 PolarHBondContact O-OH 2.86Å; N209-Y250 HydrophobicContact CB-CD1 3.6Å; N209-Y250 HydrophobicContact CB-CE1 3.71Å; N209-Y250 HydrophobicContact CB-CG 4.06Å; N209-Y250 PolarHBondContact N-OH 2.79Å; N209-Y250 WeakPolarHBondContact OD1-CB 3.36Å; F210-Y250 HydrophobicContact CD2-CD2 4.2Å; F210-Y250 HydrophobicContact CD2-CE2 4.46Å; F210-Y250 AromaticContact CE2-CD2 3.7Å; F210-Y250 HydrophobicContact CE2-CD2 3.7Å; F210-Y250 HydrophobicContact CE2-CE2 4.08Å; F247-Y250 HydrophobicContact CB-CD2 3.6Å; F247-Y250 HydrophobicContact CB-CE2 3.92Å; F247-Y250 HydrophobicContact CD1-CE2 4.41Å; F247-Y250 HydrophobicContact CG-CD2 4.46Å; F247-Y250 HydrophobicContact CG-CE2 4.34Å; F247-Y250 PolarHBondContact O-N 2.93Å; L248-Y250 PolarHBondContact O-N 2.76Å
251	G	94.3	Very high	96.8	Very high	17 Å²	17	45.1 Å²	45.1	18%	0.175	22%	0.217	C	C	.	.			trans	129	105.6	174.1	0	0	0	0	0	112.5	L248 D249 D253 L254	L248-G251 PolarHBondContact O-N 2.84Å; D249-G251 VanDerWaalsContact C-N 3.32Å; G251-D253 WeakPolarHBondContact CA-OD1 3.43Å; G251-D253 PolarHBondContact O-N 2.99Å; G251-D253 VanDerWaalsContact O-N 3.14Å; G251-L254 VanDerWaalsContact O-CB 3.27Å; G251-L254 WeakPolarHBondContact O-CB 3.47Å; G251-L254 WeakPolarHBondContact O-CG 3.27Å; G251-L254 PolarHBondContact O-N 3.13Å
252	V	94.8	Very high	96.9	Very high	49 Å²	49	45.1 Å²	45.1	30%	0.297	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-27.9	172.6	176.9	0	0	0	0	112.1	L248 L254 I255 F256 T313	L248-V252 HydrophobicContact CB-CG2 3.92Å; L248-V252 HydrophobicContact CD1-CG2 4.43Å; L248-V252 HydrophobicContact CD2-CG2 4.26Å; L248-V252 HydrophobicContact CG-CG2 4.43Å; L248-V252 PolarHBondContact O-N 3.23Å; V252-L254 PolarHBondContact O-N 3.24Å; V252-I255 PolarHBondContact O-N 3.11Å; V252-F256 HydrophobicContact CG1-CE2 4.1Å; V252-T313 HydrophobicContact CG1-CG2 4.08Å
253	D	96	Very high	96.9	Very high	78 Å²	78	48.5 Å²	48.5	42%	0.417	23%	0.232	S	C	.	.	H	α-helix	trans	-64.6	-20.6	177	64.4	-63.2	0	0	0	113.4	G251 I255 F256 K257	G251-D253 WeakPolarHBondContact CA-OD1 3.43Å; G251-D253 PolarHBondContact O-N 2.99Å; G251-D253 VanDerWaalsContact O-N 3.14Å; D253-I255 VanDerWaalsContact C-N 3.29Å; D253-I255 PolarHBondContact O-N 3.37Å; D253-F256 PolarHBondContact O-N 3.44Å; D253-K257 WeakPolarHBondContact O-CG 3.3Å; D253-K257 PolarHBondContact O-N 3.06Å; D253-K257 WeakPolarHBondContact OD2-CE 3.33Å; D253-K257 IonicContact OD2-NZ 3.78Å; D253-K257 PolarHBondContact OD2-NZ 3.02Å
254	L	96.7	Very high	97	Very high	23 Å²	23	54.7 Å²	54.7	12%	0.12	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-38.3	174.5	-64.3	173.2	0	0	0	111.5	W227 I244 G251 V252 F256 K257 Q258	W227-L254 HydrophobicContact CH2-CD2 3.99Å; I244-L254 HydrophobicContact CB-CB 4.15Å; I244-L254 HydrophobicContact CG2-CB 3.97Å; I244-L254 HydrophobicContact CG2-CD1 4.27Å; G251-L254 VanDerWaalsContact O-CB 3.27Å; G251-L254 WeakPolarHBondContact O-CB 3.47Å; G251-L254 WeakPolarHBondContact O-CG 3.27Å; G251-L254 PolarHBondContact O-N 3.13Å; V252-L254 PolarHBondContact O-N 3.24Å; L254-F256 VanDerWaalsContact C-N 3.34Å; L254-F256 PolarHBondContact O-N 3.11Å; L254-K257 HydrophobicContact CD2-CD 4.45Å; L254-K257 PolarHBondContact O-N 3.15Å; L254-Q258 PolarHBondContact O-N 2.99Å
255	I	97.9	Very high	97.1	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.2	-48.1	177.2	-56.4	169.6	0	0	0	110.1	I244 Y245 L248 V252 D253 Y259 A317	I244-I255 HydrophobicContact CB-CG1 4.34Å; I244-I255 HydrophobicContact CD1-CG1 4.48Å; I244-I255 HydrophobicContact CG1-CG1 4.12Å; I244-I255 WeakPolarHBondContact O-CD1 3.42Å; I244-I255 WeakPolarHBondContact O-CG1 3.22Å; Y245-I255 HydrophobicContact CD1-CD1 4.4Å; Y245-I255 HydrophobicContact CD1-CG2 4.25Å; Y245-I255 HydrophobicContact CE1-CG2 3.65Å; Y245-I255 HydrophobicContact CE2-CG2 4.27Å; L248-I255 HydrophobicContact CD2-CD1 3.7Å; V252-I255 PolarHBondContact O-N 3.11Å; D253-I255 VanDerWaalsContact C-N 3.29Å; D253-I255 PolarHBondContact O-N 3.37Å; I255-Y259 VanDerWaalsContact O-CB 3.31Å; I255-Y259 WeakPolarHBondContact O-CB 3.25Å; I255-Y259 PolarHBondContact O-N 3.39Å; I255-A317 HydrophobicContact CB-CB 4.34Å; I255-A317 HydrophobicContact CD1-CB 3.93Å; I255-A317 HydrophobicContact CG2-CB 3.82Å
256	F	98.1	Very high	97.2	Very high	61 Å²	61	55.6 Å²	55.6	27%	0.268	26%	0.264	S	S	.	.	H	α-helix	trans	-67.7	-38.6	179.6	-64	-81.6	0	0	0	112.1	V252 D253 L254 Y259 E260 P315 A317	V252-F256 HydrophobicContact CG1-CE2 4.1Å; D253-F256 PolarHBondContact O-N 3.44Å; L254-F256 VanDerWaalsContact C-N 3.34Å; L254-F256 PolarHBondContact O-N 3.11Å; F256-Y259 PolarHBondContact O-N 3.31Å; F256-E260 WeakPolarHBondContact O-CB 3.37Å; F256-E260 WeakPolarHBondContact O-CG 3.15Å; F256-E260 PolarHBondContact O-N 3.42Å; F256-P315 HydrophobicContact CE1-CG 4.05Å; F256-P315 HydrophobicContact CE2-CG 4.42Å; F256-P315 HydrophobicContact CZ-CG 3.7Å; F256-A317 HydrophobicContact CE2-CB 4.26Å; F256-A317 HydrophobicContact CZ-CB 3.99Å
257	K	98.1	Very high	97.3	Very high	115 Å²	115	57.3 Å²	57.3	50%	0.5	27%	0.272	S	S	.	.	H	α-helix	trans	-62.7	-47.7	176.2	-75.9	168.3	173.6	169	0	111.8	W227 D253 L254 W261	W227-K257 HydrophobicContact CZ2-CB 4.25Å; D253-K257 WeakPolarHBondContact O-CG 3.3Å; D253-K257 PolarHBondContact O-N 3.06Å; D253-K257 WeakPolarHBondContact OD2-CE 3.33Å; D253-K257 IonicContact OD2-NZ 3.78Å; D253-K257 PolarHBondContact OD2-NZ 3.02Å; L254-K257 HydrophobicContact CD2-CD 4.45Å; L254-K257 PolarHBondContact O-N 3.15Å; K257-W261 VanDerWaalsContact O-CB 3.26Å; K257-W261 WeakPolarHBondContact O-CB 3.38Å; K257-W261 PolarHBondContact O-N 2.79Å
258	Q	98.4	Very high	97.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.5	-45.4	176.6	-177.8	173.7	-84.5	0	0	110.7	W227 S241 I244 L254 E260 W261 L262	W227-Q258 HydrophobicContact CB-CG 4.25Å; W227-Q258 HydrophobicContact CD2-CB 3.92Å; W227-Q258 HydrophobicContact CD2-CG 3.89Å; W227-Q258 HydrophobicContact CE3-CB 4.02Å; W227-Q258 HydrophobicContact CE3-CG 4.14Å; W227-Q258 HydrophobicContact CG-CB 4.44Å; W227-Q258 HydrophobicContact CG-CG 3.94Å; W227-Q258 HydrophobicContact CH2-CB 4.39Å; W227-Q258 HydrophobicContact CZ2-CB 4.3Å; W227-Q258 HydrophobicContact CZ3-CB 4.25Å; S241-Q258 PolarHBondContact O-NE2 2.93Å; S241-Q258 PolarHBondContact O-OE1 3.3Å; I244-Q258 HydrophobicContact CD1-CB 3.54Å; I244-Q258 VanDerWaalsContact CD1-CD 3.45Å; I244-Q258 HydrophobicContact CD1-CG 4.09Å; L254-Q258 PolarHBondContact O-N 2.99Å; Q258-E260 PolarHBondContact O-N 3.11Å; Q258-W261 PolarHBondContact O-N 3.33Å; Q258-L262 VanDerWaalsContact O-CB 3.23Å; Q258-L262 WeakPolarHBondContact O-CB 3.23Å; Q258-L262 PolarHBondContact O-N 3.35Å
259	Y	98.7	Very high	97.6	Very high	47 Å²	47	56.9 Å²	56.9	18%	0.184	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-47.5	-179.6	-173.5	-89.7	0	0	0	112.5	I255 F256 W261 L262 K263 P318 G319 L320 L323	I255-Y259 VanDerWaalsContact O-CB 3.31Å; I255-Y259 WeakPolarHBondContact O-CB 3.25Å; I255-Y259 PolarHBondContact O-N 3.39Å; F256-Y259 PolarHBondContact O-N 3.31Å; Y259-W261 VanDerWaalsContact C-N 3.34Å; Y259-W261 PolarHBondContact O-N 2.84Å; Y259-L262 PolarHBondContact O-N 2.88Å; Y259-K263 WeakPolarHBondContact O-CB 3.33Å; Y259-K263 PolarHBondContact O-N 2.78Å; Y259-P318 HydrophobicContact CD1-CB 4.36Å; Y259-P318 HydrophobicContact CD1-CG 3.81Å; Y259-P318 HydrophobicContact CD2-CB 3.7Å; Y259-P318 HydrophobicContact CD2-CG 3.43Å; Y259-P318 VanDerWaalsContact CD2-CG 3.43Å; Y259-P318 HydrophobicContact CE1-CB 4.26Å; Y259-P318 HydrophobicContact CE1-CG 4.2Å; Y259-P318 HydrophobicContact CE2-CB 3.59Å; Y259-P318 HydrophobicContact CE2-CG 3.87Å; Y259-P318 HydrophobicContact CG-CB 4.09Å; Y259-P318 HydrophobicContact CG-CG 3.4Å; Y259-G319 WeakPolarHBondContact CE2-O 3.22Å; Y259-L320 HydrophobicContact CD2-CD2 4.11Å; Y259-L323 HydrophobicContact CD2-CD2 4.13Å; Y259-L323 HydrophobicContact CE2-CB 4.15Å; Y259-L323 HydrophobicContact CE2-CD2 3.76Å; Y259-L323 HydrophobicContact CE2-CG 4.43Å
260	E	98.5	Very high	97.8	Very high	92 Å²	92	50.8 Å²	50.8	43%	0.43	24%	0.239	S	C	.	.	H	α-helix	trans	-68.4	-33.5	178.5	-72.3	-61	141.4	0	0	112.7	F256 Q258 K264	F256-E260 WeakPolarHBondContact O-CB 3.37Å; F256-E260 WeakPolarHBondContact O-CG 3.15Å; F256-E260 PolarHBondContact O-N 3.42Å; Q258-E260 PolarHBondContact O-N 3.11Å; E260-K264 WeakPolarHBondContact O-CD 3.44Å; E260-K264 VanDerWaalsContact O-CG 3.3Å; E260-K264 WeakPolarHBondContact O-CG 3.45Å; E260-K264 PolarHBondContact O-N 2.99Å
261	W	98.8	Very high	98	Very high	61 Å²	61	51 Å²	51	23%	0.231	24%	0.242	C	C	.	.	H	α-helix	trans	-65.2	-51	171.7	167.6	83.2	0	0	0	111	W227 Y228 I238 L240 K257 Q258 Y259 K263 K264 D265	W227-W261 HydrophobicContact CB-CE3 4.41Å; W227-W261 HydrophobicContact CB-CZ3 4.07Å; W227-W261 AromaticContact CD1-CD2 3.41Å; W227-W261 VanDerWaalsContact CD1-CD2 3.41Å; W227-W261 AromaticContact CD1-CE2 3.92Å; W227-W261 AromaticContact CD1-CE3 3.29Å; W227-W261 AromaticContact CD1-CG 3.97Å; W227-W261 AromaticContact CD1-CZ3 3.72Å; W227-W261 HydrophobicContact CG-CE3 4.06Å; W227-W261 HydrophobicContact CG-CZ3 4.21Å; W227-W261 AromaticContact NE1-CD2 3.83Å; W227-W261 AromaticContact NE1-CE3 3.98Å; W227-W261 AromaticContact NE1-CG 3.87Å; Y228-W261 WeakPolarHBondContact O-CH2 3.01Å; I238-W261 HydrophobicContact CG2-CH2 3.91Å; I238-W261 HydrophobicContact CG2-CZ3 4.11Å; L240-W261 HydrophobicContact CD2-CZ3 4.19Å; K257-W261 VanDerWaalsContact O-CB 3.26Å; K257-W261 WeakPolarHBondContact O-CB 3.38Å; K257-W261 PolarHBondContact O-N 2.79Å; Q258-W261 PolarHBondContact O-N 3.33Å; Y259-W261 VanDerWaalsContact C-N 3.34Å; Y259-W261 PolarHBondContact O-N 2.84Å; W261-K263 VanDerWaalsContact C-N 3.32Å; W261-K263 PolarHBondContact O-N 3.24Å; W261-K264 WeakPolarHBondContact O-CB 3.15Å; W261-K264 PolarHBondContact O-N 2.97Å; W261-K264 VanDerWaalsContact O-N 3.11Å; W261-D265 HydrophobicContact CZ2-CB 4.38Å; W261-D265 WeakPolarHBondContact O-CB 3.41Å; W261-D265 PolarHBondContact O-N 2.96Å
262	L	98.8	Very high	98.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.9	-43.6	-178.3	174	59.4	0	0	0	111.3	I238 L240 Q258 Y259 K264 D265 L266 L320 L323 L324	I238-L262 HydrophobicContact CD1-CD1 4.13Å; I238-L262 HydrophobicContact CG2-CD1 3.7Å; L240-L262 HydrophobicContact CD1-CD2 4.49Å; L240-L262 HydrophobicContact CD2-CD1 3.96Å; L240-L262 HydrophobicContact CD2-CD2 3.85Å; L240-L262 HydrophobicContact CD2-CG 4.37Å; Q258-L262 VanDerWaalsContact O-CB 3.23Å; Q258-L262 WeakPolarHBondContact O-CB 3.23Å; Q258-L262 PolarHBondContact O-N 3.35Å; Y259-L262 PolarHBondContact O-N 2.88Å; L262-K264 VanDerWaalsContact C-N 3.32Å; L262-K264 PolarHBondContact O-N 2.87Å; L262-D265 PolarHBondContact O-N 2.83Å; L262-L266 HydrophobicContact CD1-CD1 3.81Å; L262-L266 HydrophobicContact CD1-CG 3.93Å; L262-L266 HydrophobicContact CG-CD1 3.83Å; L262-L266 HydrophobicContact CG-CG 4.39Å; L262-L266 WeakPolarHBondContact O-CB 3.12Å; L262-L266 WeakPolarHBondContact O-CG 3.39Å; L262-L266 PolarHBondContact O-N 3.1Å; L262-L320 HydrophobicContact CD2-CD2 3.9Å; L262-L323 HydrophobicContact CB-CD2 4.41Å; L262-L323 HydrophobicContact CD2-CD2 3.77Å; L262-L323 HydrophobicContact CG-CD2 3.84Å; L262-L324 HydrophobicContact CD2-CD2 4.13Å
263	K	98.9	Very high	98.3	Very high	71 Å²	71	58.6 Å²	58.6	31%	0.309	28%	0.279	S	S	.	.	H	α-helix	trans	-57.7	-45.8	176	-179.6	179.3	173.3	-171.3	0	111.6	Y259 W261 L266 E267 L323	Y259-K263 WeakPolarHBondContact O-CB 3.33Å; Y259-K263 PolarHBondContact O-N 2.78Å; W261-K263 VanDerWaalsContact C-N 3.32Å; W261-K263 PolarHBondContact O-N 3.24Å; K263-L266 PolarHBondContact O-N 2.72Å; K263-E267 WeakPolarHBondContact CE-OE1 3.4Å; K263-E267 WeakPolarHBondContact O-CB 3.36Å; K263-E267 VanDerWaalsContact O-CG 3.24Å; K263-E267 WeakPolarHBondContact O-CG 3.15Å; K263-E267 PolarHBondContact O-N 3.42Å; K263-L323 HydrophobicContact CB-CD1 4.16Å; K263-L323 HydrophobicContact CB-CD2 4.32Å; K263-L323 HydrophobicContact CG-CD1 4.12Å
264	K	98.8	Very high	98.4	Very high	130 Å²	130	56.9 Å²	56.9	57%	0.565	27%	0.27	S	S	*	.	H	α-helix	trans	-65.8	-39.6	178.4	-70.7	169.8	-173.4	172.2	0	112.1	E260 W261 L262 E267 E268	E260-K264 WeakPolarHBondContact O-CD 3.44Å; E260-K264 VanDerWaalsContact O-CG 3.3Å; E260-K264 WeakPolarHBondContact O-CG 3.45Å; E260-K264 PolarHBondContact O-N 2.99Å; W261-K264 WeakPolarHBondContact O-CB 3.15Å; W261-K264 PolarHBondContact O-N 2.97Å; W261-K264 VanDerWaalsContact O-N 3.11Å; L262-K264 VanDerWaalsContact C-N 3.32Å; L262-K264 PolarHBondContact O-N 2.87Å; K264-E267 PolarHBondContact O-N 2.9Å; K264-E268 WeakPolarHBondContact O-CB 3.39Å; K264-E268 PolarHBondContact O-N 2.57Å
265	D	98.8	Very high	98.4	Very high	22 Å²	22	56.8 Å²	56.8	12%	0.118	27%	0.268	C	S	.	.	H	α-helix	trans	-63.2	-46.1	177.1	-172	71.8	0	0	0	111.3	S229 H236 I238 W261 L262 E267 E268 A269	S229-D265 WeakPolarHBondContact CB-OD1 3.39Å; S229-D265 VanDerWaalsContact CB-OD2 3.28Å; S229-D265 WeakPolarHBondContact CB-OD2 3.38Å; S229-D265 PolarHBondContact OG-OD1 2.73Å; S229-D265 PolarHBondContact OG-OD2 3.06Å; H236-D265 IonicContact CE1-OD1 3.63Å; H236-D265 IonicContact CE1-OD2 3.75Å; H236-D265 IonicContact NE2-OD1 3.28Å; H236-D265 IonicContact NE2-OD2 3.52Å; H236-D265 PolarHBondContact NE2-OD2 2.67Å; I238-D265 WeakPolarHBondContact CD1-OD2 3.4Å; I238-D265 WeakPolarHBondContact CG1-OD2 3.28Å; W261-D265 HydrophobicContact CZ2-CB 4.38Å; W261-D265 WeakPolarHBondContact O-CB 3.41Å; W261-D265 PolarHBondContact O-N 2.96Å; L262-D265 PolarHBondContact O-N 2.83Å; D265-E267 PolarHBondContact O-N 3.14Å; D265-E268 WeakPolarHBondContact O-CB 3.37Å; D265-E268 PolarHBondContact O-N 3.48Å; D265-A269 WeakPolarHBondContact O-CB 3.35Å; D265-A269 PolarHBondContact O-N 2.88Å
266	L	98.9	Very high	98.3	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-65.2	-37.2	174.6	-71.2	168.2	0	0	0	113	I238 L262 K263 N270 I281 L323 L324 Y327 V329	I238-L266 HydrophobicContact CD1-CD2 3.62Å; I238-L266 HydrophobicContact CD1-CG 4.2Å; L262-L266 HydrophobicContact CD1-CD1 3.81Å; L262-L266 HydrophobicContact CD1-CG 3.93Å; L262-L266 HydrophobicContact CG-CD1 3.83Å; L262-L266 HydrophobicContact CG-CG 4.39Å; L262-L266 WeakPolarHBondContact O-CB 3.12Å; L262-L266 WeakPolarHBondContact O-CG 3.39Å; L262-L266 PolarHBondContact O-N 3.1Å; K263-L266 PolarHBondContact O-N 2.72Å; L266-N270 VanDerWaalsContact O-CB 3.28Å; L266-N270 WeakPolarHBondContact O-CB 3.14Å; L266-N270 PolarHBondContact O-N 3.3Å; L266-N270 PolarHBondContact O-ND2 3.05Å; L266-I281 HydrophobicContact CD2-CD1 4.38Å; L266-I281 HydrophobicContact CD2-CG2 4.04Å; L266-L323 HydrophobicContact CD1-CD2 4.09Å; L266-L323 HydrophobicContact CD1-CG 3.9Å; L266-L324 HydrophobicContact CD1-CD2 4.19Å; L266-Y327 HydrophobicContact CB-CD1 3.62Å; L266-Y327 HydrophobicContact CB-CD2 4.22Å; L266-Y327 HydrophobicContact CB-CE1 4.18Å; L266-Y327 HydrophobicContact CB-CG 3.62Å; L266-Y327 HydrophobicContact CD1-CD2 4.19Å; L266-Y327 HydrophobicContact CD1-CG 4.14Å; L266-Y327 HydrophobicContact CG-CG 4.38Å; L266-V329 HydrophobicContact CD2-CG2 4.04Å
267	E	98.8	Very high	98.3	Very high	88 Å²	88	61.2 Å²	61.2	41%	0.411	30%	0.302	S	S	.	.	H	α-helix	trans	-60.7	-44.1	172	-77.1	171.6	174.5	0	0	111.4	K263 K264 D265 K271 Y327	K263-E267 WeakPolarHBondContact CE-OE1 3.4Å; K263-E267 WeakPolarHBondContact O-CB 3.36Å; K263-E267 VanDerWaalsContact O-CG 3.24Å; K263-E267 WeakPolarHBondContact O-CG 3.15Å; K263-E267 PolarHBondContact O-N 3.42Å; K264-E267 PolarHBondContact O-N 2.9Å; D265-E267 PolarHBondContact O-N 3.14Å; E267-K271 PolarHBondContact O-N 3.34Å; E267-Y327 HydrophobicContact CB-CE1 4.23Å; E267-Y327 HydrophobicContact CG-CE1 3.48Å; E267-Y327 VanDerWaalsContact CG-CE1 3.48Å; E267-Y327 WeakPolarHBondContact CG-OH 3.4Å; E267-Y327 PolarHBondContact OE1-OH 2.88Å
268	E	98.7	Very high	98.3	Very high	87 Å²	87	57.7 Å²	57.7	41%	0.407	29%	0.285	S	S	.	.	H	α-helix	trans	-64.9	-50.5	176.1	-174.1	63.8	-141	0	0	111.2	K264 D265 N270 K271 N274	K264-E268 WeakPolarHBondContact O-CB 3.39Å; K264-E268 PolarHBondContact O-N 2.57Å; D265-E268 WeakPolarHBondContact O-CB 3.37Å; D265-E268 PolarHBondContact O-N 3.48Å; E268-N270 PolarHBondContact O-N 2.67Å; E268-K271 WeakPolarHBondContact O-CB 3.25Å; E268-K271 WeakPolarHBondContact O-CG 3.45Å; E268-K271 PolarHBondContact O-N 3.13Å; E268-K271 VanDerWaalsContact O-N 3.08Å; E268-K271 WeakPolarHBondContact OE1-CD 3.45Å; E268-K271 WeakPolarHBondContact OE1-CE 3.39Å; E268-K271 IonicContact OE1-NZ 3.89Å; E268-K271 PolarHBondContact OE1-NZ 3.04Å; E268-K271 WeakPolarHBondContact OE2-CE 3.31Å; E268-K271 IonicContact OE2-NZ 2.68Å; E268-K271 PolarHBondContact OE2-NZ 2.85Å; E268-N274 PolarHBondContact O-ND2 2.92Å; E268-N274 PolarHBondContact OE1-ND2 2.93Å
269	A	98.6	Very high	98.3	Very high	10 Å²	10	58.1 Å²	58.1	8%	0.083	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-28.8	-179	0	0	0	0	0	112.7	D265 R275 I281	D265-A269 WeakPolarHBondContact O-CB 3.35Å; D265-A269 PolarHBondContact O-N 2.88Å; A269-R275 PolarHBondContact O-N 2.81Å; A269-I281 HydrophobicContact CB-CD1 3.69Å; A269-I281 HydrophobicContact CB-CG1 4.15Å
270	N	98.5	Very high	98.3	Very high	41 Å²	41	55.9 Å²	55.9	22%	0.219	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	0.1	177.1	-83.2	-81.8	0	0	0	114.9	L266 E268 R275 Y327	L266-N270 VanDerWaalsContact O-CB 3.28Å; L266-N270 WeakPolarHBondContact O-CB 3.14Å; L266-N270 PolarHBondContact O-N 3.3Å; L266-N270 PolarHBondContact O-ND2 3.05Å; E268-N270 PolarHBondContact O-N 2.67Å; N270-R275 PolarHBondContact OD1-NE 3.49Å; N270-Y327 HydrophobicContact CB-CD1 4.48Å; N270-Y327 PolarHBondContact ND2-O 3.2Å; N270-Y327 PolarHBondContact OD1-O 3.06Å
271	K	98.6	Very high	98.3	Very high	78 Å²	78	51.5 Å²	51.5	34%	0.339	26%	0.259	S	S	.	.	S	Bend	trans	-54.8	138.2	168.5	-71.9	-178.2	-176.2	167	0	109.6	E267 E268 E273 N274 R275	E267-K271 PolarHBondContact O-N 3.34Å; E268-K271 WeakPolarHBondContact O-CB 3.25Å; E268-K271 WeakPolarHBondContact O-CG 3.45Å; E268-K271 PolarHBondContact O-N 3.13Å; E268-K271 VanDerWaalsContact O-N 3.08Å; E268-K271 WeakPolarHBondContact OE1-CD 3.45Å; E268-K271 WeakPolarHBondContact OE1-CE 3.39Å; E268-K271 IonicContact OE1-NZ 3.89Å; E268-K271 PolarHBondContact OE1-NZ 3.04Å; E268-K271 WeakPolarHBondContact OE2-CE 3.31Å; E268-K271 IonicContact OE2-NZ 2.68Å; E268-K271 PolarHBondContact OE2-NZ 2.85Å; K271-E273 HydrophobicContact CB-CG 4.38Å; K271-E273 PolarHBondContact O-N 3.04Å; K271-E273 VanDerWaalsContact O-N 3.11Å; K271-N274 HydrophobicContact CB-CB 4.34Å; K271-N274 PolarHBondContact O-N 2.79Å; K271-R275 PolarHBondContact O-N 3.07Å
272	P	97.4	Very high	98.3	Very high	107 Å²	107	48.6 Å²	48.6	70%	0.695	25%	0.248	S	C	*	.	H	α-helix	trans	-50.8	-41.2	-174	-29.8	35.9	0	0	0	114.1	A276	P272-A276 WeakPolarHBondContact O-CB 3.23Å; P272-A276 PolarHBondContact O-N 2.84Å; P272-A276 VanDerWaalsContact O-N 3.09Å
273	E	97.8	Very high	98.3	Very high	120 Å²	120	48.6 Å²	48.6	56%	0.561	25%	0.248	S	C	*	.	H	α-helix	trans	-64.6	-44.4	176.8	58.1	-86.7	-154.1	0	0	113.1	K271 E277	K271-E273 HydrophobicContact CB-CG 4.38Å; K271-E273 PolarHBondContact O-N 3.04Å; K271-E273 VanDerWaalsContact O-N 3.11Å; E273-E277 PolarHBondContact O-N 2.92Å
274	N	98.1	Very high	98.3	Very high	42 Å²	42	45.2 Å²	45.2	23%	0.225	23%	0.233	C	C	.	.	H	α-helix	trans	-72.8	-45.1	-177.8	-69.2	-18.2	0	0	0	111.1	E268 K271 A276 E277 R278	E268-N274 PolarHBondContact O-ND2 2.92Å; E268-N274 PolarHBondContact OE1-ND2 2.93Å; K271-N274 HydrophobicContact CB-CB 4.34Å; K271-N274 PolarHBondContact O-N 2.79Å; N274-A276 VanDerWaalsContact C-N 3.29Å; N274-A276 PolarHBondContact O-N 3.2Å; N274-E277 PolarHBondContact O-N 2.72Å; N274-R278 PolarHBondContact O-N 3.26Å
275	R	97.5	Very high	98.3	Very high	21 Å²	21	39 Å²	39	8%	0.079	21%	0.207	C	C	.	.	H	α-helix	trans	-67.4	-29.5	179.2	-161.4	69.2	166.7	145.2	5.6	112	A269 N270 K271 R278 P279 I281 G328 D330 G436	A269-R275 PolarHBondContact O-N 2.81Å; N270-R275 PolarHBondContact OD1-NE 3.49Å; K271-R275 PolarHBondContact O-N 3.07Å; R275-R278 CarbonylContact O-C 3.56Å; R275-P279 PolarHBondContact NH1-O 3.03Å; R275-P279 PolarHBondContact NH2-O 3.11Å; R275-P279 WeakPolarHBondContact O-CA 3.42Å; R275-P279 WeakPolarHBondContact O-CB 3.12Å; R275-P279 VanDerWaalsContact O-N 3.15Å; R275-I281 VanDerWaalsContact NH1-CB 3.3Å; R275-G328 PolarHBondContact NH2-O 2.56Å; R275-D330 IonicContact CZ-OD2 2.6Å; R275-D330 IonicContact NH1-OD2 2.82Å; R275-D330 PolarHBondContact NH1-OD2 3.48Å; R275-D330 IonicContact NH2-OD1 3.65Å; R275-D330 PolarHBondContact NH2-OD1 3.28Å; R275-D330 IonicContact NH2-OD2 3.47Å; R275-D330 PolarHBondContact NH2-OD2 2.88Å; R275-G436 VanDerWaalsContact NH2-N 3.17Å
276	A	96.6	Very high	98.3	Very high	75 Å²	75	38 Å²	38	62%	0.62	20%	0.201	S	C	*	.	H	α-helix	trans	-69.8	-34.8	173.7	0	0	0	0	0	112.5	P272 N274	P272-A276 WeakPolarHBondContact O-CB 3.23Å; P272-A276 PolarHBondContact O-N 2.84Å; P272-A276 VanDerWaalsContact O-N 3.09Å; N274-A276 VanDerWaalsContact C-N 3.29Å; N274-A276 PolarHBondContact O-N 3.2Å
277	E	97.1	Very high	98.2	Very high	78 Å²	78	39.1 Å²	39.1	36%	0.364	21%	0.205	S	C	.	.	H	α-helix	trans	-79.7	-40.1	176.9	-169.1	-174.5	172	0	0	112	T128 E273 N274 P279	T128-E277 HydrophobicContact CG2-CG 3.43Å; T128-E277 VanDerWaalsContact CG2-CG 3.43Å; T128-E277 WeakPolarHBondContact CG2-OE1 3.36Å; E273-E277 PolarHBondContact O-N 2.92Å; N274-E277 PolarHBondContact O-N 2.72Å; E277-P279 WeakPolarHBondContact O-CD 3.41Å
278	R	97.8	Very high	98.1	Very high	41 Å²	41	35 Å²	35	16%	0.155	19%	0.186	C	C	.	.			trans	-128.5	75.2	-176.5	-63.3	179.7	-171.9	76	10.3	110.4	N231 S234 N274 R275 W280	N231-R278 VanDerWaalsContact OD1-CD 3.27Å; N231-R278 WeakPolarHBondContact OD1-CD 3.33Å; S234-R278 CarbonylContact O-C 3.57Å; S234-R278 VanDerWaalsContact O-CA 3.3Å; S234-R278 WeakPolarHBondContact O-CA 3.32Å; N274-R278 PolarHBondContact O-N 3.26Å; R275-R278 CarbonylContact O-C 3.56Å; R278-W280 VanDerWaalsContact C-N 3.28Å; R278-W280 PolarHBondContact O-N 3.03Å
279	P	98.3	Very high	97.9	Very high	9 Å²	9	31 Å²	31	6%	0.058	17%	0.167	C	C	.	.			trans	-71	-21	-176	26.9	-35.3	0	0	0	113.6	S234 R275 E277 D330 T408 H435	S234-P279 WeakPolarHBondContact O-CD 3.05Å; R275-P279 PolarHBondContact NH1-O 3.03Å; R275-P279 PolarHBondContact NH2-O 3.11Å; R275-P279 WeakPolarHBondContact O-CA 3.42Å; R275-P279 WeakPolarHBondContact O-CB 3.12Å; R275-P279 VanDerWaalsContact O-N 3.15Å; E277-P279 WeakPolarHBondContact O-CD 3.41Å; P279-D330 VanDerWaalsContact O-OD2 3.07Å; P279-T408 HydrophobicContact CG-CG2 3.76Å; P279-T408 WeakPolarHBondContact CG-O 3.12Å; P279-H435 HydrophobicContact CB-CB 4.19Å; P279-H435 VanDerWaalsContact CB-CD2 3.48Å; P279-H435 WeakPolarHBondContact CB-CD2 3.44Å; P279-H435 WeakPolarHBondContact O-CB 3.15Å; P279-H435 PolarHBondContact O-CE1 3.4Å; P279-H435 PolarHBondContact O-ND1 3.1Å
280	W	98.8	Very high	97.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	119.2	174.7	-64.2	101	0	0	0	110.2	S234 A235 H236 R278 I282 D330 V405 N407 T409 L411 V430 K432 H435	S234-W280 PolarHBondContact O-N 2.99Å; A235-W280 CarbonylContact C-O 3.56Å; A235-W280 WeakPolarHBondContact CA-O 3.22Å; A235-W280 HydrophobicContact CB-CB 4.04Å; H236-W280 PolarHBondContact N-O 3.26Å; R278-W280 VanDerWaalsContact C-N 3.28Å; R278-W280 PolarHBondContact O-N 3.03Å; W280-I282 HydrophobicContact CB-CG1 4.41Å; W280-D330 WeakPolarHBondContact CA-OD2 3.47Å; W280-D330 HydrophobicContact CE3-CB 3.65Å; W280-D330 HydrophobicContact CZ3-CB 3.93Å; W280-V405 HydrophobicContact CG-CG1 4.23Å; W280-N407 PolarHBondContact NE1-O 2.92Å; W280-T409 VanDerWaalsContact CZ2-C 3.47Å; W280-L411 HydrophobicContact CD2-CB 4.34Å; W280-L411 HydrophobicContact CD2-CD1 4.17Å; W280-L411 HydrophobicContact CE3-CB 4.34Å; W280-L411 HydrophobicContact CE3-CD1 3.98Å; W280-L411 HydrophobicContact CH2-CB 3.72Å; W280-L411 HydrophobicContact CZ2-CB 3.68Å; W280-L411 HydrophobicContact CZ3-CB 4.05Å; W280-L411 HydrophobicContact CZ3-CD1 4.31Å; W280-V430 HydrophobicContact CH2-CB 4.24Å; W280-V430 HydrophobicContact CH2-CG1 3.97Å; W280-V430 WeakPolarHBondContact CH2-O 3.33Å; W280-V430 HydrophobicContact CZ3-CB 4.39Å; W280-V430 HydrophobicContact CZ3-CG1 3.89Å; W280-K432 HydrophobicContact CH2-CB 4.19Å; W280-K432 HydrophobicContact CH2-CD 4.49Å; W280-K432 HydrophobicContact CH2-CG 4.13Å; W280-K432 HydrophobicContact CZ3-CD 4.13Å; W280-K432 HydrophobicContact CZ3-CG 4.26Å; W280-H435 AromaticContact CD2-CE1 3.7Å; W280-H435 AromaticContact CE2-CE1 3.81Å; W280-H435 AromaticContact CE3-CE1 3.75Å; W280-H435 AromaticContact CZ2-CE1 3.99Å; W280-H435 AromaticContact CZ3-CE1 3.92Å
281	I	98.9	Very high	97.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.2	161.4	-76.3	161.3	0	0	0	106.9	H236 I238 L266 A269 R275 V329 D330	H236-I281 HydrophobicContact CB-CG1 4.15Å; H236-I281 WeakPolarHBondContact O-CA 3.34Å; I238-I281 HydrophobicContact CD1-CG2 3.96Å; L266-I281 HydrophobicContact CD2-CD1 4.38Å; L266-I281 HydrophobicContact CD2-CG2 4.04Å; A269-I281 HydrophobicContact CB-CD1 3.69Å; A269-I281 HydrophobicContact CB-CG1 4.15Å; R275-I281 VanDerWaalsContact NH1-CB 3.3Å; I281-V329 HydrophobicContact CG2-CB 4.38Å; I281-V329 HydrophobicContact CG2-CG1 4.33Å; I281-V329 HydrophobicContact CG2-CG2 3.82Å; I281-D330 PolarHBondContact N-OD2 3.29Å; I281-D330 WeakPolarHBondContact O-CB 3.07Å; I281-D330 PolarHBondContact O-N 3.49Å
282	I	98.9	Very high	96.9	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	131.4	-177.7	-54.2	174.8	0	0	0	107.9	A235 H236 I237 I238 W280 L331 L333 M403 V405 L411	A235-I282 HydrophobicContact CB-CD1 4.17Å; H236-I282 PolarHBondContact O-N 3.08Å; I237-I282 CarbonylContact C-O 3.5Å; I237-I282 WeakPolarHBondContact CA-O 3.32Å; I237-I282 HydrophobicContact CG1-CB 4.38Å; I238-I282 PolarHBondContact N-O 3.14Å; W280-I282 HydrophobicContact CB-CG1 4.41Å; I282-L331 CarbonylContact C-O 3.58Å; I282-L331 VanDerWaalsContact CA-O 3.27Å; I282-L331 WeakPolarHBondContact CA-O 3.38Å; I282-L331 HydrophobicContact CD1-CD2 4.47Å; I282-L331 HydrophobicContact CG1-CB 4.29Å; I282-L331 HydrophobicContact CG2-CB 4.2Å; I282-L331 HydrophobicContact CG2-CD2 4.07Å; I282-L331 HydrophobicContact CG2-CG 4.16Å; I282-L333 HydrophobicContact CG2-CD1 3.83Å; I282-L333 HydrophobicContact CG2-CG 4.21Å; I282-M403 HydrophobicContact CD1-CE 4.28Å; I282-M403 HydrophobicContact CD1-SD 4.21Å; I282-V405 HydrophobicContact CD1-CG2 4.28Å; I282-L411 HydrophobicContact CD1-CD1 3.73Å
283	T	98.9	Very high	96.4	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	151.9	171.2	60.6	0	0	0	0	111.1	I238 L240 L324 V329 L331 E332 L333	I238-T283 HydrophobicContact CB-CG2 4.23Å; I238-T283 CarbonylContact O-C 3.55Å; I238-T283 VanDerWaalsContact O-CA 3.24Å; I238-T283 WeakPolarHBondContact O-CA 2.96Å; L240-T283 HydrophobicContact CD1-CG2 4.41Å; T283-L324 HydrophobicContact CG2-CD1 4.47Å; T283-L324 HydrophobicContact CG2-CD2 3.98Å; T283-V329 HydrophobicContact CG2-CG1 3.97Å; T283-V329 HydrophobicContact CG2-CG2 4.4Å; T283-L331 PolarHBondContact N-O 3.17Å; T283-E332 WeakPolarHBondContact OG1-CA 3.25Å; T283-E332 WeakPolarHBondContact OG1-CB 3.49Å; T283-E332 WeakPolarHBondContact OG1-CG 3.47Å; T283-L333 WeakPolarHBondContact O-CB 3.38Å; T283-L333 PolarHBondContact O-N 3.18Å
284	M	98.8	Very high	95.8	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.4	162.6	63.7	179.4	-78.9	0	0	109.7	L164 V166 C200 I238 S239 L240 L333	L164-M284 HydrophobicContact CB-CE 4.44Å; L164-M284 HydrophobicContact CB-SD 4.11Å; L164-M284 HydrophobicContact CD1-SD 4.39Å; L164-M284 HydrophobicContact CD2-SD 4.16Å; L164-M284 HydrophobicContact CG-SD 4.44Å; V166-M284 HydrophobicContact CB-CE 4.29Å; V166-M284 HydrophobicContact CG1-CB 4.42Å; V166-M284 HydrophobicContact CG1-CE 4.42Å; V166-M284 HydrophobicContact CG2-CE 3.94Å; C200-M284 HydrophobicContact CB-CE 3.95Å; I238-M284 PolarHBondContact O-N 3.28Å; S239-M284 WeakPolarHBondContact CA-O 3.42Å; L240-M284 PolarHBondContact N-O 2.83Å; M284-L333 WeakPolarHBondContact CA-O 3.14Å; M284-L333 HydrophobicContact CB-CB 4.18Å
285	G	98.4	Very high	94.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.104	C	C	.	.			trans	-154.3	157.7	173.3	0	0	0	0	0	108.8	V166 L333 W334	V166-G285 WeakPolarHBondContact CG1-O 3.29Å; G285-L333 PolarHBondContact N-O 3.45Å; G285-W334 WeakPolarHBondContact O-CA 3.46Å; G285-W334 VanDerWaalsContact O-CE3 3.26Å
286	H	98.5	Very high	93.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-75.3	-66.3	-170.1	-178	66.5	0	0	0	112.3	D139 V166 D168 P201 G202 N203 T242 E243 A335 H336	D139-H286 IonicContact OD1-CE1 3.33Å; D139-H286 PolarHBondContact OD1-CE1 2.8Å; D139-H286 IonicContact OD2-CE1 3.27Å; V166-H286 PolarHBondContact O-ND1 2.78Å; D168-H286 IonicContact OD1-CD2 3.54Å; D168-H286 IonicContact OD1-CE1 3.38Å; D168-H286 IonicContact OD1-NE2 3.38Å; D168-H286 PolarHBondContact OD1-NE2 3.17Å; D168-H286 IonicContact OD2-CE1 2.86Å; D168-H286 PolarHBondContact OD2-CE1 2.91Å; D168-H286 VanDerWaalsContact OD2-CE1 3.23Å; D168-H286 IonicContact OD2-NE2 3.03Å; D168-H286 PolarHBondContact OD2-NE2 3.37Å; P201-H286 WeakPolarHBondContact O-CB 3.49Å; G202-H286 WeakPolarHBondContact CA-CD2 3.49Å; N203-H286 PolarHBondContact OD1-NE2 3.28Å; T242-H286 WeakPolarHBondContact OG1-CB 3.43Å; T242-H286 PolarHBondContact OG1-N 3.43Å; E243-H286 IonicContact OE1-CD2 2.72Å; H286-A335 CarbonylContact O-C 3.52Å; H286-A335 VanDerWaalsContact O-C 3.3Å; H286-A335 PolarHBondContact O-N 3.01Å; H286-H336 AromaticContact CD2-ND1 3.78Å; H286-H336 VanDerWaalsContact CE1-CA 3.42Å; H286-H336 WeakPolarHBondContact CE1-CA 3.32Å; H286-H336 PolarHBondContact CE1-N 2.91Å; H286-H336 WeakPolarHBondContact NE2-CB 3.33Å; H286-H336 AromaticContact NE2-CG 3.61Å; H286-H336 AromaticContact NE2-ND1 3.11Å; H286-H336 PolarHBondContact NE2-ND1 3.06Å; H286-H336 VanDerWaalsContact NE2-ND1 3.11Å
287	R	97.3	Very high	92.2	Very high	23 Å²	23	26 Å²	26	9%	0.087	13%	0.125	C	C	.	.	S	Bend	trans	-72.9	126.5	-179.3	-66.6	171.5	177.5	-79.8	-16.1	112.3	N203 T242 E243 D298 V306 W334 H336	N203-R287 PolarHBondContact OD1-NH2 3.24Å; T242-R287 HydrophobicContact CG2-CB 4.4Å; T242-R287 WeakPolarHBondContact CG2-O 3.38Å; T242-R287 PolarHBondContact OG1-N 3.48Å; E243-R287 IonicContact OE1-NE 2.82Å; E243-R287 IonicContact OE2-CZ 3.63Å; E243-R287 IonicContact OE2-NE 2.85Å; E243-R287 PolarHBondContact OE2-NE 3.06Å; R287-D298 VanDerWaalsContact CD-OD2 3.26Å; R287-D298 WeakPolarHBondContact CD-OD2 3.45Å; R287-D298 IonicContact CZ-OD2 3.13Å; R287-D298 IonicContact NE-OD2 3.82Å; R287-D298 IonicContact NH1-OD1 3.41Å; R287-D298 PolarHBondContact NH1-OD1 2.8Å; R287-D298 IonicContact NH1-OD2 2.87Å; R287-D298 PolarHBondContact NH1-OD2 2.62Å; R287-V306 HydrophobicContact CB-CG2 4.29Å; R287-W334 WeakPolarHBondContact O-CZ3 3.37Å; R287-H336 HydrophobicContact CG-CB 4.27Å; R287-H336 PolarHBondContact NH1-CE1 2.96Å; R287-H336 PolarHBondContact NH1-NE2 3.39Å; R287-H336 PolarHBondContact NH2-CE1 2.86Å; R287-H336 VanDerWaalsContact NH2-CE1 3.28Å
288	P	96	Very high	90.9	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.013	12%	0.116	C	C	.	.			trans	-72.3	152.6	-177.5	28.6	-34.4	0	0	0	113.3	Y290 C291 S304 W334 E337 I370	P288-Y290 VanDerWaalsContact C-N 3.32Å; P288-C291 HydrophobicContact CB-CB 4.33Å; P288-C291 HydrophobicContact CG-CB 3.68Å; P288-S304 PolarHBondContact O-OG 3Å; P288-W334 HydrophobicContact CB-CB 3.79Å; P288-W334 HydrophobicContact CB-CD2 4.35Å; P288-W334 HydrophobicContact CB-CG 3.89Å; P288-E337 HydrophobicContact CG-CG 3.91Å; P288-I370 HydrophobicContact CB-CD1 4.04Å; P288-I370 HydrophobicContact CB-CG1 4.24Å; P288-I370 HydrophobicContact CG-CD1 4.19Å
289	M	94.8	Very high	89.7	Confident	3 Å²	3	22.5 Å²	22.5	2%	0.015	11%	0.112	C	C	.	.	S	Bend	trans	-75.6	-24.5	168.3	-70.4	-163.2	-58.1	0	0	113	V306 R307 L320 E321 L324 E332 W334	M289-V306 HydrophobicContact CG-CB 4.21Å; M289-V306 HydrophobicContact CG-CG1 3.78Å; M289-V306 HydrophobicContact SD-CG1 4.49Å; M289-R307 HydrophobicContact CB-CB 3.89Å; M289-R307 HydrophobicContact CB-CG 4.04Å; M289-R307 HydrophobicContact CG-CB 3.92Å; M289-R307 HydrophobicContact CG-CG 4.3Å; M289-R307 HydrophobicContact SD-CB 4.03Å; M289-R307 HydrophobicContact SD-CG 3.99Å; M289-L320 HydrophobicContact SD-CB 4.38Å; M289-E321 HydrophobicContact CE-CB 4.32Å; M289-E321 HydrophobicContact SD-CB 3.9Å; M289-L324 HydrophobicContact CE-CD1 4.25Å; M289-E332 WeakPolarHBondContact CE-OE2 3.26Å; M289-W334 HydrophobicContact CE-CZ2 4.07Å; M289-W334 HydrophobicContact CG-CH2 4.14Å; M289-W334 HydrophobicContact CG-CZ2 4.13Å
290	Y	94.3	Very high	87.9	Confident	2 Å²	2	25.5 Å²	25.5	1%	0.008	13%	0.131	C	C	.	.	S	Bend	trans	-140.4	122.7	-176.2	-66.6	-70.1	0	0	0	109.1	P288 E321 L343 V346 G348 Y349 H368 I370	P288-Y290 VanDerWaalsContact C-N 3.32Å; Y290-E321 PolarHBondContact OH-OE1 2.9Å; Y290-L343 VanDerWaalsContact CB-CD2 3.42Å; Y290-L343 HydrophobicContact CD2-CD2 4.49Å; Y290-L343 HydrophobicContact CG-CD2 4.18Å; Y290-V346 HydrophobicContact CD2-CG1 3.58Å; Y290-V346 HydrophobicContact CE1-CG2 4.23Å; Y290-V346 HydrophobicContact CE2-CB 4.45Å; Y290-V346 HydrophobicContact CE2-CG1 3.6Å; Y290-V346 HydrophobicContact CE2-CG2 4.12Å; Y290-V346 HydrophobicContact CG-CG1 4.24Å; Y290-G348 PolarHBondContact OH-N 2.78Å; Y290-Y349 AromaticContact CD1-CD1 3.8Å; Y290-Y349 HydrophobicContact CD1-CD1 3.8Å; Y290-Y349 AromaticContact CD1-CE1 3.4Å; Y290-Y349 HydrophobicContact CD1-CE1 3.4Å; Y290-Y349 VanDerWaalsContact CD1-CE1 3.4Å; Y290-Y349 AromaticContact CD1-CZ 3.92Å; Y290-Y349 AromaticContact CE1-CD1 3.43Å; Y290-Y349 HydrophobicContact CE1-CD1 3.43Å; Y290-Y349 VanDerWaalsContact CE1-CD1 3.43Å; Y290-Y349 HydrophobicContact CE1-CD2 4.12Å; Y290-Y349 AromaticContact CE1-CE1 3.39Å; Y290-Y349 HydrophobicContact CE1-CE1 3.39Å; Y290-Y349 HydrophobicContact CE1-CE2 4.1Å; Y290-Y349 AromaticContact CE1-CG 3.81Å; Y290-Y349 HydrophobicContact CE1-CG 3.81Å; Y290-Y349 AromaticContact CE1-CZ 3.74Å; Y290-Y349 PolarHBondContact OH-N 3.25Å; Y290-H368 AromaticContact CD2-CE1 3.9Å; Y290-I370 WeakPolarHBondContact O-CD1 3.34Å
291	C	90.7	Very high	86.2	Confident	17 Å²	17	32.2 Å²	32.2	12%	0.115	16%	0.162	C	C	.	.			trans	-154.2	165.5	175.6	62.3	0	0	0	0	110.7	P288 C299 E337 I370 W390	P288-C291 HydrophobicContact CB-CB 4.33Å; P288-C291 HydrophobicContact CG-CB 3.68Å; C291-C299 HydrophobicContact CB-CB 4.21Å; C291-C299 WeakPolarHBondContact CB-SG 3.46Å; C291-C299 WeakPolarHBondContact SG-CA 3.34Å; C291-C299 WeakPolarHBondContact SG-CB 3.42Å; C291-C299 CovalentContact SG-SG 2.01Å; C291-C299 PolarHBondContact SG-SG 3.16Å; C291-E337 HydrophobicContact CB-CG 3.84Å; C291-I370 HydrophobicContact CB-CD1 3.77Å; C291-W390 VanDerWaalsContact C-CH2 3.49Å; C291-W390 VanDerWaalsContact O-CH2 3.32Å; C291-W390 WeakPolarHBondContact O-CH2 3.49Å
292	S	90.9	Very high	84.6	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.007	18%	0.184	C	C	.	.			trans	-141.4	27	-167.5	71.4	0	0	0	0	113.5	E341 V384 R394	S292-E341 PolarHBondContact N-OE2 2.84Å; S292-E341 PolarHBondContact OG-OE1 2.85Å; S292-E341 PolarHBondContact OG-OE2 2.98Å; S292-V384 WeakPolarHBondContact O-CG2 3.47Å; S292-V384 PolarHBondContact O-N 2.65Å; S292-R394 PolarHBondContact OG-NE 3.49Å; S292-R394 PolarHBondContact OG-NH2 2.81Å
293	N	87.3	Confident	83.6	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	21%	0.213	C	C	.	.	B	Isolated β-bridge	trans	-79.7	163.8	173.5	-59.3	67.8	0	0	0	109.7	D295 C299 E337 T339 D381 P382	N293-D295 VanDerWaalsContact C-OD2 3.28Å; N293-D295 WeakPolarHBondContact CB-OD2 3.19Å; N293-C299 HydrophobicContact CB-CB 4.18Å; N293-C299 WeakPolarHBondContact O-CB 3.37Å; N293-E337 WeakPolarHBondContact CB-OE2 3.45Å; N293-E337 VanDerWaalsContact CG-OE2 3.25Å; N293-T339 VanDerWaalsContact ND2-CG2 3.26Å; N293-T339 WeakPolarHBondContact ND2-CG2 3.41Å; N293-T339 PolarHBondContact ND2-OG1 2.87Å; N293-D381 HydrophobicContact CB-CB 4.13Å; N293-P382 CarbonylContact C-O 3.44Å
294	N	83.9	Confident	83.1	Confident	89 Å²	89	44 Å²	44	48%	0.476	22%	0.217	S	C	.	.			trans	-130.3	54.1	-172.9	-176.7	41.8	0	0	0	110.2	P382 V384	N294-P382 WeakPolarHBondContact CA-O 3.33Å; N294-P382 WeakPolarHBondContact CB-O 3.19Å; N294-P382 PolarHBondContact N-O 3.45Å; N294-V384 HydrophobicContact CB-CG1 3.97Å
295	D	71.8	Confident	82.9	Confident	34 Å²	34	48.2 Å²	48.2	18%	0.182	23%	0.234	C	C	.	.	S	Bend	trans	-90.5	-18.8	-179.3	37.4	46.1	0	0	0	113.8	N293 D297	N293-D295 VanDerWaalsContact C-OD2 3.28Å; N293-D295 WeakPolarHBondContact CB-OD2 3.19Å; D295-D297 WeakPolarHBondContact CB-OD2 3.25Å; D295-D297 PolarHBondContact OD1-N 3.29Å
296	K	71.9	Confident	82.7	Confident	181 Å²	181	48.2 Å²	48.2	79%	0.787	23%	0.234	S	C	*	.	S	Bend	trans	77.3	17.6	-170.7	-52.4	175.8	-175.7	166.5	0	114.7	T300	K296-T300 WeakPolarHBondContact CA-OG1 3.3Å; K296-T300 PolarHBondContact N-OG1 3.05Å
297	D	72.3	Confident	82.6	Confident	64 Å²	64	49.1 Å²	49.1	34%	0.342	24%	0.237	S	C	.	.	S	Bend	trans	-111.9	-131	180	64	32.9	0	0	0	113.6	D295 C299 T300	D295-D297 WeakPolarHBondContact CB-OD2 3.25Å; D295-D297 PolarHBondContact OD1-N 3.29Å; D297-C299 VanDerWaalsContact C-N 3.29Å; D297-C299 PolarHBondContact O-N 2.7Å; D297-C299 PolarHBondContact OD1-N 3.2Å; D297-T300 PolarHBondContact N-OG1 2.96Å; D297-T300 WeakPolarHBondContact O-CB 3.39Å; D297-T300 PolarHBondContact O-N 3.02Å; D297-T300 PolarHBondContact O-OG1 3.35Å
298	D	71.1	Confident	82.5	Confident	33 Å²	33	51.8 Å²	51.8	18%	0.176	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-34.7	-178.2	-81	4	0	0	0	113.4	F246 R287 T300 H336	F246-D298 WeakPolarHBondContact CE1-OD1 3.48Å; R287-D298 VanDerWaalsContact CD-OD2 3.26Å; R287-D298 WeakPolarHBondContact CD-OD2 3.45Å; R287-D298 IonicContact CZ-OD2 3.13Å; R287-D298 IonicContact NE-OD2 3.82Å; R287-D298 IonicContact NH1-OD1 3.41Å; R287-D298 PolarHBondContact NH1-OD1 2.8Å; R287-D298 IonicContact NH1-OD2 2.87Å; R287-D298 PolarHBondContact NH1-OD2 2.62Å; D298-T300 PolarHBondContact O-N 3.2Å; D298-H336 IonicContact OD2-CD2 3.66Å; D298-H336 IonicContact OD2-NE2 2.76Å
299	C	72.9	Confident	82.5	Confident	12 Å²	12	52 Å²	52	8%	0.081	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-10.6	175.7	-60.6	0	0	0	0	114.2	C291 N293 D297 E337	C291-C299 HydrophobicContact CB-CB 4.21Å; C291-C299 WeakPolarHBondContact CB-SG 3.46Å; C291-C299 WeakPolarHBondContact SG-CA 3.34Å; C291-C299 WeakPolarHBondContact SG-CB 3.42Å; C291-C299 CovalentContact SG-SG 2.01Å; C291-C299 PolarHBondContact SG-SG 3.16Å; N293-C299 HydrophobicContact CB-CB 4.18Å; N293-C299 WeakPolarHBondContact O-CB 3.37Å; D297-C299 VanDerWaalsContact C-N 3.29Å; D297-C299 PolarHBondContact O-N 2.7Å; D297-C299 PolarHBondContact OD1-N 3.2Å; C299-E337 PolarHBondContact SG-OE1 3.19Å; C299-E337 PolarHBondContact SG-OE2 3.19Å
300	T	60.3	Low	82.5	Confident	72 Å²	72	52.8 Å²	52.8	44%	0.442	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-29.7	-176	-59	0	0	0	0	112.1	K296 D297 D298	K296-T300 WeakPolarHBondContact CA-OG1 3.3Å; K296-T300 PolarHBondContact N-OG1 3.05Å; D297-T300 PolarHBondContact N-OG1 2.96Å; D297-T300 WeakPolarHBondContact O-CB 3.39Å; D297-T300 PolarHBondContact O-N 3.02Å; D297-T300 PolarHBondContact O-OG1 3.35Å; D298-T300 PolarHBondContact O-N 3.2Å
301	Q	63.4	Low	82.5	Confident	141 Å²	141	59.5 Å²	59.5	66%	0.659	29%	0.294	S	S	*	.	S	Bend	trans	-94.7	138.1	174.4	-60.9	-64.5	-9.6	0	0	110.6	E303	Q301-E303 PolarHBondContact O-N 2.91Å
302	F	64.6	Low	82.6	Confident	106 Å²	106	63.4 Å²	63.4	47%	0.465	31%	0.314	S	S	.	.	S	Bend	trans	-71.6	-10.2	175.9	-158.6	-105.4	0	0	0	112.6	Y349	F302-Y349 AromaticContact CD1-CD2 3.91Å; F302-Y349 HydrophobicContact CD1-CD2 3.91Å; F302-Y349 AromaticContact CD1-CE2 3.34Å; F302-Y349 HydrophobicContact CD1-CE2 3.34Å; F302-Y349 AromaticContact CD1-CZ 3.8Å; F302-Y349 HydrophobicContact CD2-CE1 4.11Å; F302-Y349 HydrophobicContact CD2-CE2 4.19Å; F302-Y349 AromaticContact CD2-CZ 3.78Å; F302-Y349 HydrophobicContact CE1-CD1 4.23Å; F302-Y349 AromaticContact CE1-CD2 3.11Å; F302-Y349 HydrophobicContact CE1-CD2 3.11Å; F302-Y349 HydrophobicContact CE1-CE1 4.2Å; F302-Y349 AromaticContact CE1-CE2 3.05Å; F302-Y349 HydrophobicContact CE1-CE2 3.05Å; F302-Y349 AromaticContact CE1-CG 3.71Å; F302-Y349 HydrophobicContact CE1-CG 3.71Å; F302-Y349 AromaticContact CE1-CZ 3.65Å; F302-Y349 AromaticContact CE2-CD1 3.85Å; F302-Y349 HydrophobicContact CE2-CD1 3.85Å; F302-Y349 HydrophobicContact CE2-CD2 4.22Å; F302-Y349 AromaticContact CE2-CE1 3.58Å; F302-Y349 HydrophobicContact CE2-CE1 3.58Å; F302-Y349 AromaticContact CE2-CE2 3.94Å; F302-Y349 HydrophobicContact CE2-CE2 3.94Å; F302-Y349 HydrophobicContact CE2-CG 4.15Å; F302-Y349 AromaticContact CE2-CZ 3.62Å; F302-Y349 AromaticContact CG-CE2 3.92Å; F302-Y349 HydrophobicContact CG-CE2 3.92Å; F302-Y349 AromaticContact CG-CZ 3.87Å; F302-Y349 AromaticContact CZ-CD1 3.53Å; F302-Y349 HydrophobicContact CZ-CD1 3.53Å; F302-Y349 AromaticContact CZ-CD2 3.3Å; F302-Y349 HydrophobicContact CZ-CD2 3.3Å; F302-Y349 AromaticContact CZ-CE1 3.64Å; F302-Y349 HydrophobicContact CZ-CE1 3.64Å; F302-Y349 AromaticContact CZ-CE2 3.38Å; F302-Y349 HydrophobicContact CZ-CE2 3.38Å; F302-Y349 AromaticContact CZ-CG 3.35Å; F302-Y349 HydrophobicContact CZ-CG 3.35Å; F302-Y349 AromaticContact CZ-CZ 3.56Å; F302-Y349 VanDerWaalsContact O-CE2 3.3Å; F302-Y349 WeakPolarHBondContact O-CE2 3.47Å; F302-Y349 VanDerWaalsContact O-CZ 3.32Å; F302-Y349 PolarHBondContact O-OH 3.24Å
303	E	77.6	Confident	82.8	Confident	131 Å²	131	63.8 Å²	63.8	61%	0.612	32%	0.316	S	S	*	.			trans	-117.4	86.8	-175.5	-64.4	-170.6	167.9	0	0	110.2	Q301 L308	Q301-E303 PolarHBondContact O-N 2.91Å; E303-L308 HydrophobicContact CB-CD1 3.94Å; E303-L308 HydrophobicContact CG-CD1 3.73Å
304	S	88.6	Confident	83	Confident	12 Å²	12	73.4 Å²	73.4	8%	0.084	36%	0.358	C	S	.	.			trans	-64.7	132.9	169.9	165.4	0	0	0	0	110.8	P288 V306 R307 L308	P288-S304 PolarHBondContact O-OG 3Å; S304-V306 VanDerWaalsContact C-N 3.27Å; S304-V306 PolarHBondContact O-N 2.82Å; S304-V306 PolarHBondContact OG-N 3.45Å; S304-R307 PolarHBondContact O-N 3.02Å; S304-R307 VanDerWaalsContact O-N 3.16Å; S304-R307 PolarHBondContact OG-N 2.94Å; S304-L308 PolarHBondContact O-N 3.4Å
305	Y	93.8	Very high	83.5	Confident	89 Å²	89	73.2 Å²	73.2	35%	0.349	36%	0.362	S	S	.	.	H	α-helix	trans	-64.7	-31.6	175	-67.3	-51.1	0	0	0	112.5	Y245 F246 R307 G309 R310	Y245-Y305 VanDerWaalsContact CD1-O 3.3Å; Y245-Y305 WeakPolarHBondContact CD1-O 3.47Å; Y245-Y305 WeakPolarHBondContact CE1-O 3.4Å; F246-Y305 HydrophobicContact CD1-CD2 4.17Å; F246-Y305 AromaticContact CE1-CD2 3.74Å; F246-Y305 HydrophobicContact CE1-CD2 3.74Å; F246-Y305 HydrophobicContact CZ-CD2 4.15Å; Y305-R307 VanDerWaalsContact C-N 3.31Å; Y305-G309 WeakPolarHBondContact O-CA 3.34Å; Y305-G309 PolarHBondContact O-N 3.38Å; Y305-R310 HydrophobicContact CD1-CG 3.78Å; Y305-R310 HydrophobicContact CE1-CG 4.39Å; Y305-R310 HydrophobicContact CG-CG 4.14Å; Y305-R310 PolarHBondContact OH-NH2 3.22Å
306	V	95.7	Very high	84.7	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-63.2	-42.7	173.6	-177.2	0	0	0	0	109.8	T242 F246 R287 M289 S304 L320 W334	T242-V306 HydrophobicContact CG2-CG1 3.98Å; T242-V306 HydrophobicContact CG2-CG2 3.94Å; F246-V306 HydrophobicContact CE2-CG2 3.86Å; F246-V306 HydrophobicContact CZ-CG2 4.39Å; R287-V306 HydrophobicContact CB-CG2 4.29Å; M289-V306 HydrophobicContact CG-CB 4.21Å; M289-V306 HydrophobicContact CG-CG1 3.78Å; M289-V306 HydrophobicContact SD-CG1 4.49Å; S304-V306 VanDerWaalsContact C-N 3.27Å; S304-V306 PolarHBondContact O-N 2.82Å; S304-V306 PolarHBondContact OG-N 3.45Å; V306-L320 HydrophobicContact CG1-CD1 3.89Å; V306-L320 HydrophobicContact CG1-CG 4.48Å; V306-L320 PolarHBondContact O-N 3.42Å; V306-W334 HydrophobicContact CG1-CH2 4.45Å; V306-W334 HydrophobicContact CG1-CZ3 4.44Å
307	R	95.9	Very high	85.9	Confident	19 Å²	19	67 Å²	67	7%	0.072	34%	0.342	C	S	.	.	H	α-helix	trans	-70.7	-57	-177.6	-164.1	179.4	68.2	83.9	1.5	112.7	M289 S304 Y305 G319 L320 E321	M289-R307 HydrophobicContact CB-CB 3.89Å; M289-R307 HydrophobicContact CB-CG 4.04Å; M289-R307 HydrophobicContact CG-CB 3.92Å; M289-R307 HydrophobicContact CG-CG 4.3Å; M289-R307 HydrophobicContact SD-CB 4.03Å; M289-R307 HydrophobicContact SD-CG 3.99Å; S304-R307 PolarHBondContact O-N 3.02Å; S304-R307 VanDerWaalsContact O-N 3.16Å; S304-R307 PolarHBondContact OG-N 2.94Å; Y305-R307 VanDerWaalsContact C-N 3.31Å; R307-G319 WeakPolarHBondContact O-CA 3.22Å; R307-L320 PolarHBondContact O-N 2.84Å; R307-E321 VanDerWaalsContact CD-OE2 3.31Å; R307-E321 WeakPolarHBondContact CD-OE2 3.09Å; R307-E321 HydrophobicContact CG-CB 3.68Å; R307-E321 HydrophobicContact CG-CG 4.17Å; R307-E321 WeakPolarHBondContact CG-OE2 3.48Å; R307-E321 IonicContact CZ-OE2 3.59Å; R307-E321 IonicContact NE-OE2 3.96Å; R307-E321 IonicContact NH1-OE2 3.56Å; R307-E321 PolarHBondContact NH1-OE2 2.85Å; R307-E321 PolarHBondContact O-N 2.71Å
308	L	95.6	Very high	87.1	Confident	78 Å²	78	65.4 Å²	65.4	41%	0.408	34%	0.335	S	S	.	.	H	α-helix	trans	-100.4	-11.2	-169.8	-68.1	-174	0	0	0	114.6	E303 S304 G319	E303-L308 HydrophobicContact CB-CD1 3.94Å; E303-L308 HydrophobicContact CG-CD1 3.73Å; S304-L308 PolarHBondContact O-N 3.4Å; L308-G319 VanDerWaalsContact C-CA 3.5Å
309	G	95.4	Very high	88.3	Confident	7 Å²	7	64.5 Å²	64.5	7%	0.072	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	80.3	-163.1	-172.5	0	0	0	0	0	112.1	Y305 A317 G319	Y305-G309 WeakPolarHBondContact O-CA 3.34Å; Y305-G309 PolarHBondContact O-N 3.38Å; G309-A317 CarbonylContact C-O 3.54Å; G309-A317 WeakPolarHBondContact CA-O 3.24Å; G309-G319 VanDerWaalsContact CA-CA 3.49Å; G309-G319 VanDerWaalsContact CA-N 3.32Å
310	R	94.5	Very high	89.5	Confident	19 Å²	19	64 Å²	64	7%	0.072	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	115.4	-171.5	-65.3	-160.3	74.6	102.4	4.9	111.6	Y245 Y305 D312 T313 P316 A317	Y245-R310 HydrophobicContact CD1-CG 4.4Å; Y245-R310 WeakPolarHBondContact O-CD 3.37Å; Y245-R310 PolarHBondContact O-NH1 2.88Å; Y305-R310 HydrophobicContact CD1-CG 3.78Å; Y305-R310 HydrophobicContact CE1-CG 4.39Å; Y305-R310 HydrophobicContact CG-CG 4.14Å; Y305-R310 PolarHBondContact OH-NH2 3.22Å; R310-D312 VanDerWaalsContact C-N 3.34Å; R310-D312 WeakPolarHBondContact CB-OD1 3.42Å; R310-D312 IonicContact CZ-OD1 3.14Å; R310-D312 IonicContact CZ-OD2 3.33Å; R310-D312 IonicContact NE-OD1 3.07Å; R310-D312 PolarHBondContact NE-OD1 3.05Å; R310-D312 IonicContact NE-OD2 3.74Å; R310-D312 IonicContact NH2-OD1 3.83Å; R310-D312 PolarHBondContact NH2-OD1 2.5Å; R310-D312 IonicContact NH2-OD2 3.79Å; R310-D312 PolarHBondContact NH2-OD2 3.42Å; R310-T313 HydrophobicContact CB-CG2 3.87Å; R310-T313 PolarHBondContact O-OG1 2.86Å; R310-P316 CarbonylContact O-C 3.59Å; R310-P316 VanDerWaalsContact O-CA 3.25Å; R310-P316 WeakPolarHBondContact O-CA 3.35Å; R310-A317 HydrophobicContact CB-CB 4.03Å; R310-A317 PolarHBondContact N-O 2.84Å; R310-A317 PolarHBondContact O-N 2.8Å
311	N	94.3	Very high	91.3	Very high	144 Å²	144	61 Å²	61	77%	0.77	31%	0.311	S	S	*	.	S	Bend	trans	-84.8	-10.4	173.9	-73.3	-36.4	0	0	0	113.4
312	D	93.6	Very high	93	Very high	98 Å²	98	58.6 Å²	58.6	52%	0.524	30%	0.303	S	S	.	.	S	Bend	trans	-90	-6.1	-179.9	65	-26.5	0	0	0	113.6	R310	R310-D312 VanDerWaalsContact C-N 3.34Å; R310-D312 WeakPolarHBondContact CB-OD1 3.42Å; R310-D312 IonicContact CZ-OD1 3.14Å; R310-D312 IonicContact CZ-OD2 3.33Å; R310-D312 IonicContact NE-OD1 3.07Å; R310-D312 PolarHBondContact NE-OD1 3.05Å; R310-D312 IonicContact NE-OD2 3.74Å; R310-D312 IonicContact NH2-OD1 3.83Å; R310-D312 PolarHBondContact NH2-OD1 2.5Å; R310-D312 IonicContact NH2-OD2 3.79Å; R310-D312 PolarHBondContact NH2-OD2 3.42Å
313	T	93.8	Very high	94.6	Very high	10 Å²	10	53.9 Å²	53.9	6%	0.061	28%	0.282	C	S	.	.	S	Bend	trans	-89.2	162.9	171.5	63.9	0	0	0	0	112.1	L248 V252 R310 P315 P316 A317	L248-T313 HydrophobicContact CD1-CG2 4.04Å; V252-T313 HydrophobicContact CG1-CG2 4.08Å; R310-T313 HydrophobicContact CB-CG2 3.87Å; R310-T313 PolarHBondContact O-OG1 2.86Å; T313-P315 CarbonylContact C-O 3.46Å; T313-P315 WeakPolarHBondContact CB-O 3.33Å; T313-P315 CarbonylContact O-C 3.29Å; T313-P315 VanDerWaalsContact O-C 3.29Å; T313-P315 PolarHBondContact OG1-O 3.11Å; T313-P316 WeakPolarHBondContact OG1-CA 3.41Å; T313-A317 HydrophobicContact CG2-CB 4.49Å; T313-A317 WeakPolarHBondContact OG1-CB 3.43Å; T313-A317 PolarHBondContact OG1-N 2.99Å
314	K	92.2	Very high	95.6	Very high	203 Å²	203	47.7 Å²	47.7	88%	0.883	25%	0.253	S	S	*	.	S	Bend	trans	-129.1	110.7	175.2	-67.9	-175.4	-177.3	177.6	0	110.9
315	P	94.4	Very high	96.1	Very high	85 Å²	85	48.2 Å²	48.2	55%	0.552	25%	0.254	S	S	*	.	S	Bend	cis	-64.9	164.7	-5	28.5	-32.9	0	0	0	112.5	F256 T313 A317	F256-P315 HydrophobicContact CE1-CG 4.05Å; F256-P315 HydrophobicContact CE2-CG 4.42Å; F256-P315 HydrophobicContact CZ-CG 3.7Å; T313-P315 CarbonylContact C-O 3.46Å; T313-P315 WeakPolarHBondContact CB-O 3.33Å; T313-P315 CarbonylContact O-C 3.29Å; T313-P315 VanDerWaalsContact O-C 3.29Å; T313-P315 PolarHBondContact OG1-O 3.11Å; P315-A317 PolarHBondContact O-N 3.38Å
316	P	96.5	Very high	96.3	Very high	78 Å²	78	48.4 Å²	48.4	51%	0.506	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-53.6	130.8	171	-26.4	35.8	0	0	0	110.6	R310 T313	R310-P316 CarbonylContact O-C 3.59Å; R310-P316 VanDerWaalsContact O-CA 3.25Å; R310-P316 WeakPolarHBondContact O-CA 3.35Å; T313-P316 WeakPolarHBondContact OG1-CA 3.41Å
317	A	97	Very high	96.5	Very high	5 Å²	5	50.5 Å²	50.5	4%	0.041	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	138.9	-178.2	0	0	0	0	0	109.9	I255 F256 G309 R310 T313 P315	I255-A317 HydrophobicContact CB-CB 4.34Å; I255-A317 HydrophobicContact CD1-CB 3.93Å; I255-A317 HydrophobicContact CG2-CB 3.82Å; F256-A317 HydrophobicContact CE2-CB 4.26Å; F256-A317 HydrophobicContact CZ-CB 3.99Å; G309-A317 CarbonylContact C-O 3.54Å; G309-A317 WeakPolarHBondContact CA-O 3.24Å; R310-A317 HydrophobicContact CB-CB 4.03Å; R310-A317 PolarHBondContact N-O 2.84Å; R310-A317 PolarHBondContact O-N 2.8Å; T313-A317 HydrophobicContact CG2-CB 4.49Å; T313-A317 WeakPolarHBondContact OG1-CB 3.43Å; T313-A317 PolarHBondContact OG1-N 2.99Å; P315-A317 PolarHBondContact O-N 3.38Å
318	P	97.6	Very high	96.6	Very high	32 Å²	32	49.6 Å²	49.6	21%	0.208	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	145.3	-175.1	31.7	-36.6	0	0	0	112.6	Y245 Y259	Y245-P318 VanDerWaalsContact CE1-O 3.23Å; Y245-P318 WeakPolarHBondContact CE1-O 3.22Å; Y245-P318 PolarHBondContact OH-O 2.87Å; Y259-P318 HydrophobicContact CD1-CB 4.36Å; Y259-P318 HydrophobicContact CD1-CG 3.81Å; Y259-P318 HydrophobicContact CD2-CB 3.7Å; Y259-P318 HydrophobicContact CD2-CG 3.43Å; Y259-P318 VanDerWaalsContact CD2-CG 3.43Å; Y259-P318 HydrophobicContact CE1-CB 4.26Å; Y259-P318 HydrophobicContact CE1-CG 4.2Å; Y259-P318 HydrophobicContact CE2-CB 3.59Å; Y259-P318 HydrophobicContact CE2-CG 3.87Å; Y259-P318 HydrophobicContact CG-CB 4.09Å; Y259-P318 HydrophobicContact CG-CG 3.4Å
319	G	97.3	Very high	96.7	Very high	14 Å²	14	45.9 Å²	45.9	14%	0.144	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-83.2	167.9	167.9	0	0	0	0	0	112.5	Y259 R307 L308 G309	Y259-G319 WeakPolarHBondContact CE2-O 3.22Å; R307-G319 WeakPolarHBondContact O-CA 3.22Å; L308-G319 VanDerWaalsContact C-CA 3.5Å; G309-G319 VanDerWaalsContact CA-CA 3.49Å; G309-G319 VanDerWaalsContact CA-N 3.32Å
320	L	98.3	Very high	96.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-94.5	-26	-175.1	-60.1	-176.2	0	0	0	113.8	L240 Y245 Y259 L262 M289 V306 R307 D322 L323 L324	L240-L320 HydrophobicContact CD1-CD1 4.02Å; Y245-L320 HydrophobicContact CE2-CD1 4.37Å; Y245-L320 HydrophobicContact CE2-CG 4.42Å; Y245-L320 WeakPolarHBondContact OH-CD2 3.29Å; Y259-L320 HydrophobicContact CD2-CD2 4.11Å; L262-L320 HydrophobicContact CD2-CD2 3.9Å; M289-L320 HydrophobicContact SD-CB 4.38Å; V306-L320 HydrophobicContact CG1-CD1 3.89Å; V306-L320 HydrophobicContact CG1-CG 4.48Å; V306-L320 PolarHBondContact O-N 3.42Å; R307-L320 PolarHBondContact O-N 2.84Å; L320-D322 PolarHBondContact O-N 2.81Å; L320-L323 WeakPolarHBondContact O-CB 3.32Å; L320-L323 PolarHBondContact O-N 2.92Å; L320-L323 VanDerWaalsContact O-N 3.08Å; L320-L324 HydrophobicContact CB-CD1 4.26Å; L320-L324 HydrophobicContact CB-CG 4.39Å; L320-L324 WeakPolarHBondContact O-CG 3.33Å; L320-L324 PolarHBondContact O-N 3.27Å
321	E	98.1	Very high	97.1	Very high	9 Å²	9	44.8 Å²	44.8	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-56.5	-52.8	-168.5	-178.2	175.4	-150.1	0	0	113.6	M289 Y290 R307 L323 L324 Y325 Y347 G348	M289-E321 HydrophobicContact CE-CB 4.32Å; M289-E321 HydrophobicContact SD-CB 3.9Å; Y290-E321 PolarHBondContact OH-OE1 2.9Å; R307-E321 VanDerWaalsContact CD-OE2 3.31Å; R307-E321 WeakPolarHBondContact CD-OE2 3.09Å; R307-E321 HydrophobicContact CG-CB 3.68Å; R307-E321 HydrophobicContact CG-CG 4.17Å; R307-E321 WeakPolarHBondContact CG-OE2 3.48Å; R307-E321 IonicContact CZ-OE2 3.59Å; R307-E321 IonicContact NE-OE2 3.96Å; R307-E321 IonicContact NH1-OE2 3.56Å; R307-E321 PolarHBondContact NH1-OE2 2.85Å; R307-E321 PolarHBondContact O-N 2.71Å; E321-L323 PolarHBondContact O-N 2.85Å; E321-L324 PolarHBondContact O-N 2.78Å; E321-Y325 WeakPolarHBondContact O-CB 3.4Å; E321-Y325 PolarHBondContact O-N 3.35Å; E321-Y347 HydrophobicContact CG-CD2 3.76Å; E321-Y347 HydrophobicContact CG-CE2 3.93Å; E321-Y347 WeakPolarHBondContact OE1-CA 3.44Å; E321-G348 PolarHBondContact OE1-N 3.33Å
322	D	98.2	Very high	97.3	Very high	92 Å²	92	38 Å²	38	49%	0.492	20%	0.203	S	C	.	.	H	α-helix	trans	-60.7	-38.5	-179.2	-77.6	-0.9	0	0	0	110.9	L320 L326 Y347	L320-D322 PolarHBondContact O-N 2.81Å; D322-L326 WeakPolarHBondContact O-CB 3.47Å; D322-L326 WeakPolarHBondContact O-CD1 3.34Å; D322-L326 WeakPolarHBondContact O-CG 3.36Å; D322-L326 PolarHBondContact O-N 3.24Å; D322-Y347 PolarHBondContact OD1-OH 3.04Å; D322-Y347 VanDerWaalsContact OD1-OH 3.06Å
323	L	98.6	Very high	97.6	Very high	7 Å²	7	33.3 Å²	33.3	4%	0.037	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-52.2	178.6	-173	70.6	0	0	0	110.5	Y259 L262 K263 L266 L320 E321 Y325 L326 Y327	Y259-L323 HydrophobicContact CD2-CD2 4.13Å; Y259-L323 HydrophobicContact CE2-CB 4.15Å; Y259-L323 HydrophobicContact CE2-CD2 3.76Å; Y259-L323 HydrophobicContact CE2-CG 4.43Å; L262-L323 HydrophobicContact CB-CD2 4.41Å; L262-L323 HydrophobicContact CD2-CD2 3.77Å; L262-L323 HydrophobicContact CG-CD2 3.84Å; K263-L323 HydrophobicContact CB-CD1 4.16Å; K263-L323 HydrophobicContact CB-CD2 4.32Å; K263-L323 HydrophobicContact CG-CD1 4.12Å; L266-L323 HydrophobicContact CD1-CD2 4.09Å; L266-L323 HydrophobicContact CD1-CG 3.9Å; L320-L323 WeakPolarHBondContact O-CB 3.32Å; L320-L323 PolarHBondContact O-N 2.92Å; L320-L323 VanDerWaalsContact O-N 3.08Å; E321-L323 PolarHBondContact O-N 2.85Å; L323-Y325 VanDerWaalsContact C-N 3.34Å; L323-Y325 PolarHBondContact O-N 2.98Å; L323-L326 PolarHBondContact O-N 2.68Å; L323-Y327 HydrophobicContact CD1-CD2 3.7Å; L323-Y327 HydrophobicContact CD1-CE2 3.44Å; L323-Y327 VanDerWaalsContact CD1-CE2 3.44Å; L323-Y327 HydrophobicContact CG-CD2 4.22Å; L323-Y327 HydrophobicContact CG-CE2 4.42Å; L323-Y327 VanDerWaalsContact O-CD2 3.3Å; L323-Y327 WeakPolarHBondContact O-CD2 3.24Å; L323-Y327 PolarHBondContact O-N 3.43Å
324	L	98.8	Very high	97.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-41.4	-178.6	-58.5	-177.9	0	0	0	111.5	L262 L266 T283 M289 L320 E321 G328 V329 E332	L262-L324 HydrophobicContact CD2-CD2 4.13Å; L266-L324 HydrophobicContact CD1-CD2 4.19Å; T283-L324 HydrophobicContact CG2-CD1 4.47Å; T283-L324 HydrophobicContact CG2-CD2 3.98Å; M289-L324 HydrophobicContact CE-CD1 4.25Å; L320-L324 HydrophobicContact CB-CD1 4.26Å; L320-L324 HydrophobicContact CB-CG 4.39Å; L320-L324 WeakPolarHBondContact O-CG 3.33Å; L320-L324 PolarHBondContact O-N 3.27Å; E321-L324 PolarHBondContact O-N 2.78Å; L324-G328 PolarHBondContact O-N 2.71Å; L324-G328 VanDerWaalsContact O-N 3.16Å; L324-V329 HydrophobicContact CB-CB 4.17Å; L324-V329 HydrophobicContact CB-CG2 3.82Å; L324-V329 HydrophobicContact CD2-CG2 3.9Å; L324-V329 HydrophobicContact CG-CG2 4.41Å; L324-V329 WeakPolarHBondContact O-CG2 3.17Å; L324-V329 PolarHBondContact O-N 2.01Å; L324-E332 WeakPolarHBondContact CB-OE1 3.32Å; L324-E332 WeakPolarHBondContact CD1-OE1 3.47Å
325	Y	98.7	Very high	98.1	Very high	24 Å²	24	23.2 Å²	23.2	9%	0.094	13%	0.133	C	C	.	.	H	α-helix	trans	-64	-46.9	175.8	-177.8	-96.9	0	0	0	112.5	E321 L323 Y327 G328 Y347 K364 A365 F437 W440	E321-Y325 WeakPolarHBondContact O-CB 3.4Å; E321-Y325 PolarHBondContact O-N 3.35Å; L323-Y325 VanDerWaalsContact C-N 3.34Å; L323-Y325 PolarHBondContact O-N 2.98Å; Y325-Y327 VanDerWaalsContact C-N 3.31Å; Y325-Y327 PolarHBondContact O-N 2.81Å; Y325-G328 PolarHBondContact O-N 3.02Å; Y325-Y347 HydrophobicContact CD1-CD1 4.37Å; Y325-Y347 HydrophobicContact CD1-CD2 4.07Å; Y325-Y347 HydrophobicContact CD1-CE1 4.15Å; Y325-Y347 AromaticContact CD1-CE2 3.82Å; Y325-Y347 HydrophobicContact CD1-CE2 3.82Å; Y325-Y347 HydrophobicContact CD1-CG 4.32Å; Y325-Y347 AromaticContact CD1-CZ 3.85Å; Y325-Y347 HydrophobicContact CD2-CD1 4.16Å; Y325-Y347 AromaticContact CD2-CD2 3.57Å; Y325-Y347 HydrophobicContact CD2-CD2 3.57Å; Y325-Y347 HydrophobicContact CD2-CE2 4.18Å; Y325-Y347 AromaticContact CD2-CG 3.54Å; Y325-Y347 HydrophobicContact CD2-CG 3.54Å; Y325-Y347 HydrophobicContact CE1-CD1 4.21Å; Y325-Y347 HydrophobicContact CE1-CE1 4.08Å; Y325-Y347 HydrophobicContact CE1-CG 4.5Å; Y325-Y347 HydrophobicContact CE2-CD1 4Å; Y325-Y347 HydrophobicContact CE2-CD2 4.25Å; Y325-Y347 AromaticContact CE2-CG 3.76Å; Y325-Y347 HydrophobicContact CE2-CG 3.76Å; Y325-Y347 HydrophobicContact CG-CD1 4.35Å; Y325-Y347 AromaticContact CG-CD2 3.48Å; Y325-Y347 HydrophobicContact CG-CD2 3.48Å; Y325-Y347 VanDerWaalsContact CG-CD2 3.48Å; Y325-Y347 HydrophobicContact CG-CE1 4.48Å; Y325-Y347 AromaticContact CG-CE2 3.62Å; Y325-Y347 HydrophobicContact CG-CE2 3.62Å; Y325-Y347 AromaticContact CG-CG 3.86Å; Y325-Y347 HydrophobicContact CG-CG 3.86Å; Y325-K364 WeakPolarHBondContact CE2-O 3.4Å; Y325-A365 HydrophobicContact CD2-CB 4.3Å; Y325-A365 HydrophobicContact CE2-CB 3.99Å; Y325-F437 HydrophobicContact CD1-CE2 4.12Å; Y325-F437 HydrophobicContact CE1-CD2 4.45Å; Y325-F437 AromaticContact CE1-CE2 3.76Å; Y325-F437 HydrophobicContact CE1-CE2 3.76Å; Y325-W440 AromaticContact CE2-CD1 3.97Å; Y325-W440 HydrophobicContact CE2-CG 4.34Å; Y325-W440 AromaticContact CE2-NE1 3.93Å; Y325-W440 AromaticContact CZ-CD1 3.7Å; Y325-W440 PolarHBondContact O-NE1 2.86Å
326	L	98.3	Very high	98.2	Very high	92 Å²	92	19.9 Å²	19.9	48%	0.482	11%	0.11	S	C	.	.	H	α-helix	trans	-68.2	-27	-178.2	-74	171.5	0	0	0	113.4	D322 L323 G328 F437	D322-L326 WeakPolarHBondContact O-CB 3.47Å; D322-L326 WeakPolarHBondContact O-CD1 3.34Å; D322-L326 WeakPolarHBondContact O-CG 3.36Å; D322-L326 PolarHBondContact O-N 3.24Å; L323-L326 PolarHBondContact O-N 2.68Å; L326-G328 VanDerWaalsContact C-N 3.33Å; L326-F437 HydrophobicContact CD2-CD2 4.24Å; L326-F437 HydrophobicContact CD2-CE2 3.69Å; L326-F437 HydrophobicContact CD2-CZ 4.02Å; L326-F437 VanDerWaalsContact O-CB 3.32Å; L326-F437 WeakPolarHBondContact O-CB 3.08Å
327	Y	98.6	Very high	98.2	Very high	45 Å²	45	16.1 Å²	16.1	18%	0.176	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	4.7	173	-75.6	-90.5	0	0	0	113	L266 E267 N270 L323 Y325	L266-Y327 HydrophobicContact CB-CD1 3.62Å; L266-Y327 HydrophobicContact CB-CD2 4.22Å; L266-Y327 HydrophobicContact CB-CE1 4.18Å; L266-Y327 HydrophobicContact CB-CG 3.62Å; L266-Y327 HydrophobicContact CD1-CD2 4.19Å; L266-Y327 HydrophobicContact CD1-CG 4.14Å; L266-Y327 HydrophobicContact CG-CG 4.38Å; E267-Y327 HydrophobicContact CB-CE1 4.23Å; E267-Y327 HydrophobicContact CG-CE1 3.48Å; E267-Y327 VanDerWaalsContact CG-CE1 3.48Å; E267-Y327 WeakPolarHBondContact CG-OH 3.4Å; E267-Y327 PolarHBondContact OE1-OH 2.88Å; N270-Y327 HydrophobicContact CB-CD1 4.48Å; N270-Y327 PolarHBondContact ND2-O 3.2Å; N270-Y327 PolarHBondContact OD1-O 3.06Å; L323-Y327 HydrophobicContact CD1-CD2 3.7Å; L323-Y327 HydrophobicContact CD1-CE2 3.44Å; L323-Y327 VanDerWaalsContact CD1-CE2 3.44Å; L323-Y327 HydrophobicContact CG-CD2 4.22Å; L323-Y327 HydrophobicContact CG-CE2 4.42Å; L323-Y327 VanDerWaalsContact O-CD2 3.3Å; L323-Y327 WeakPolarHBondContact O-CD2 3.24Å; L323-Y327 PolarHBondContact O-N 3.43Å; Y325-Y327 VanDerWaalsContact C-N 3.31Å; Y325-Y327 PolarHBondContact O-N 2.81Å
328	G	98.2	Very high	98.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	45.3	172.1	0	0	0	0	0	113.3	R275 L324 Y325 L326	R275-G328 PolarHBondContact NH2-O 2.56Å; L324-G328 PolarHBondContact O-N 2.71Å; L324-G328 VanDerWaalsContact O-N 3.16Å; Y325-G328 PolarHBondContact O-N 3.02Å; L326-G328 VanDerWaalsContact C-N 3.33Å
329	V	98.8	Very high	98.1	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.076	C	C	.	.			trans	-57.4	139.2	169.5	174.7	0	0	0	0	109.3	L266 I281 T283 L324 E332 P366 W440	L266-V329 HydrophobicContact CD2-CG2 4.04Å; I281-V329 HydrophobicContact CG2-CB 4.38Å; I281-V329 HydrophobicContact CG2-CG1 4.33Å; I281-V329 HydrophobicContact CG2-CG2 3.82Å; T283-V329 HydrophobicContact CG2-CG1 3.97Å; T283-V329 HydrophobicContact CG2-CG2 4.4Å; L324-V329 HydrophobicContact CB-CB 4.17Å; L324-V329 HydrophobicContact CB-CG2 3.82Å; L324-V329 HydrophobicContact CD2-CG2 3.9Å; L324-V329 HydrophobicContact CG-CG2 4.41Å; L324-V329 WeakPolarHBondContact O-CG2 3.17Å; L324-V329 PolarHBondContact O-N 2.01Å; V329-E332 HydrophobicContact CG1-CG 3.72Å; V329-P366 WeakPolarHBondContact O-CG 3.43Å; V329-W440 WeakPolarHBondContact O-CH2 3.01Å
330	D	98.8	Very high	98.2	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.069	C	C	.	.			trans	-95.9	-42.1	-170.3	-57.8	-71.5	0	0	0	112	R275 P279 W280 I281 V367 K432 H435	R275-D330 IonicContact CZ-OD2 2.6Å; R275-D330 IonicContact NH1-OD2 2.82Å; R275-D330 PolarHBondContact NH1-OD2 3.48Å; R275-D330 IonicContact NH2-OD1 3.65Å; R275-D330 PolarHBondContact NH2-OD1 3.28Å; R275-D330 IonicContact NH2-OD2 3.47Å; R275-D330 PolarHBondContact NH2-OD2 2.88Å; P279-D330 VanDerWaalsContact O-OD2 3.07Å; W280-D330 WeakPolarHBondContact CA-OD2 3.47Å; W280-D330 HydrophobicContact CE3-CB 3.65Å; W280-D330 HydrophobicContact CZ3-CB 3.93Å; I281-D330 PolarHBondContact N-OD2 3.29Å; I281-D330 WeakPolarHBondContact O-CB 3.07Å; I281-D330 PolarHBondContact O-N 3.49Å; D330-V367 PolarHBondContact O-N 3.03Å; D330-V367 VanDerWaalsContact O-N 3.13Å; D330-K432 HydrophobicContact CB-CD 4.25Å; D330-K432 WeakPolarHBondContact OD1-CD 3.33Å; D330-K432 VanDerWaalsContact OD1-CE 3.25Å; D330-K432 WeakPolarHBondContact OD1-CE 3.16Å; D330-K432 IonicContact OD1-NZ 3.84Å; D330-K432 PolarHBondContact OD1-NZ 2.9Å; D330-H435 IonicContact OD1-CE1 3.89Å; D330-H435 IonicContact OD1-CG 3.61Å; D330-H435 IonicContact OD1-ND1 3.31Å; D330-H435 PolarHBondContact OD1-ND1 3.35Å; D330-H435 IonicContact OD2-ND1 3.24Å; D330-H435 PolarHBondContact OD2-ND1 3.06Å
331	L	98.9	Very high	98.2	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	136.4	-176.5	175.2	66.6	0	0	0	109.9	I282 T283 L333 V367 I369 M403 L411 L413	I282-L331 CarbonylContact C-O 3.58Å; I282-L331 VanDerWaalsContact CA-O 3.27Å; I282-L331 WeakPolarHBondContact CA-O 3.38Å; I282-L331 HydrophobicContact CD1-CD2 4.47Å; I282-L331 HydrophobicContact CG1-CB 4.29Å; I282-L331 HydrophobicContact CG2-CB 4.2Å; I282-L331 HydrophobicContact CG2-CD2 4.07Å; I282-L331 HydrophobicContact CG2-CG 4.16Å; T283-L331 PolarHBondContact N-O 3.17Å; L331-L333 HydrophobicContact CD1-CD2 4.25Å; L331-L333 HydrophobicContact CD2-CD2 4Å; L331-L333 HydrophobicContact CD2-CG 4.37Å; L331-L333 HydrophobicContact CG-CD2 4.05Å; L331-L333 HydrophobicContact CG-CG 4.27Å; L331-V367 CarbonylContact C-O 3.59Å; L331-V367 WeakPolarHBondContact CA-O 2.89Å; L331-V367 HydrophobicContact CD1-CB 4.11Å; L331-V367 HydrophobicContact CD1-CG1 4.04Å; L331-I369 HydrophobicContact CD1-CG1 3.86Å; L331-M403 HydrophobicContact CD2-SD 3.68Å; L331-L411 HydrophobicContact CD2-CD1 4.03Å; L331-L411 HydrophobicContact CD2-CD2 4.03Å; L331-L413 HydrophobicContact CD1-CD1 4.1Å; L331-L413 HydrophobicContact CD2-CD1 4.04Å; L331-L413 HydrophobicContact CD2-CD2 4.25Å
332	E	98.8	Very high	98.2	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.009	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	117.3	179.5	-51	-171.9	-178.4	0	0	109	T283 M289 L324 V329 W334 P366 V367 H368 I369	T283-E332 WeakPolarHBondContact OG1-CA 3.25Å; T283-E332 WeakPolarHBondContact OG1-CB 3.49Å; T283-E332 WeakPolarHBondContact OG1-CG 3.47Å; M289-E332 WeakPolarHBondContact CE-OE2 3.26Å; L324-E332 WeakPolarHBondContact CB-OE1 3.32Å; L324-E332 WeakPolarHBondContact CD1-OE1 3.47Å; V329-E332 HydrophobicContact CG1-CG 3.72Å; E332-W334 HydrophobicContact CB-CZ2 3.76Å; E332-W334 PolarHBondContact O-NE1 3.2Å; E332-W334 VanDerWaalsContact OE2-CZ2 3.29Å; E332-W334 WeakPolarHBondContact OE2-CZ2 3.43Å; E332-P366 HydrophobicContact CG-CB 3.96Å; E332-P366 WeakPolarHBondContact OE1-CB 2.97Å; E332-P366 WeakPolarHBondContact OE1-CG 3.16Å; E332-V367 PolarHBondContact N-O 3.48Å; E332-H368 WeakPolarHBondContact O-CA 3.41Å; E332-H368 IonicContact OE2-CE1 3.82Å; E332-H368 PolarHBondContact OE2-CE1 2.58Å; E332-H368 IonicContact OE2-ND1 3.6Å; E332-H368 PolarHBondContact OE2-ND1 3.33Å; E332-H368 IonicContact OE2-NE2 2.66Å; E332-I369 PolarHBondContact O-N 3.44Å
333	L	98.9	Very high	98.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.1	-175.8	-59.6	169.3	0	0	0	109.6	V136 L164 I282 T283 M284 G285 L331 I369 M403	V136-L333 HydrophobicContact CG1-CB 4.45Å; V136-L333 HydrophobicContact CG1-CD1 3.94Å; V136-L333 HydrophobicContact CG1-CD2 4.37Å; V136-L333 HydrophobicContact CG1-CG 4.48Å; V136-L333 HydrophobicContact CG2-CD1 4.38Å; L164-L333 HydrophobicContact CD1-CD1 3.98Å; I282-L333 HydrophobicContact CG2-CD1 3.83Å; I282-L333 HydrophobicContact CG2-CG 4.21Å; T283-L333 WeakPolarHBondContact O-CB 3.38Å; T283-L333 PolarHBondContact O-N 3.18Å; M284-L333 WeakPolarHBondContact CA-O 3.14Å; M284-L333 HydrophobicContact CB-CB 4.18Å; G285-L333 PolarHBondContact N-O 3.45Å; L331-L333 HydrophobicContact CD1-CD2 4.25Å; L331-L333 HydrophobicContact CD2-CD2 4Å; L331-L333 HydrophobicContact CD2-CG 4.37Å; L331-L333 HydrophobicContact CG-CD2 4.05Å; L331-L333 HydrophobicContact CG-CG 4.27Å; L333-I369 HydrophobicContact CD2-CB 4.09Å; L333-M403 HydrophobicContact CD1-CE 4.47Å; L333-M403 HydrophobicContact CD1-SD 4.41Å
334	W	98.7	Very high	98.1	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	166.6	-176.2	-49.1	100.8	0	0	0	111.3	T242 G285 R287 P288 M289 V306 E332 H368 I369 I370 T371	T242-W334 HydrophobicContact CG2-CZ3 4Å; G285-W334 WeakPolarHBondContact O-CA 3.46Å; G285-W334 VanDerWaalsContact O-CE3 3.26Å; R287-W334 WeakPolarHBondContact O-CZ3 3.37Å; P288-W334 HydrophobicContact CB-CB 3.79Å; P288-W334 HydrophobicContact CB-CD2 4.35Å; P288-W334 HydrophobicContact CB-CG 3.89Å; M289-W334 HydrophobicContact CE-CZ2 4.07Å; M289-W334 HydrophobicContact CG-CH2 4.14Å; M289-W334 HydrophobicContact CG-CZ2 4.13Å; V306-W334 HydrophobicContact CG1-CH2 4.45Å; V306-W334 HydrophobicContact CG1-CZ3 4.44Å; E332-W334 HydrophobicContact CB-CZ2 3.76Å; E332-W334 PolarHBondContact O-NE1 3.2Å; E332-W334 VanDerWaalsContact OE2-CZ2 3.29Å; E332-W334 WeakPolarHBondContact OE2-CZ2 3.43Å; W334-H368 AromaticContact NE1-CG 3.93Å; W334-H368 AromaticContact NE1-ND1 3.2Å; W334-H368 PolarHBondContact NE1-ND1 3.37Å; W334-H368 VanDerWaalsContact NE1-ND1 3.2Å; W334-I369 PolarHBondContact N-O 3.16Å; W334-I370 HydrophobicContact CB-CG1 4.25Å; W334-I370 WeakPolarHBondContact O-CA 3.44Å; W334-T371 PolarHBondContact O-N 2.84Å
335	A	98.2	Very high	98.1	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.057	C	C	.	.			trans	-144.4	-130.9	174.4	0	0	0	0	0	108.9	D139 V166 H286 E337	D139-A335 WeakPolarHBondContact OD2-CB 3.49Å; V166-A335 HydrophobicContact CB-CB 3.93Å; V166-A335 HydrophobicContact CG1-CB 4.03Å; V166-A335 VanDerWaalsContact O-CB 3.31Å; V166-A335 WeakPolarHBondContact O-CB 3.32Å; H286-A335 CarbonylContact O-C 3.52Å; H286-A335 VanDerWaalsContact O-C 3.3Å; H286-A335 PolarHBondContact O-N 3.01Å; A335-E337 PolarHBondContact O-N 3.36Å
336	H	97.3	Very high	98	Very high	15 Å²	15	11.9 Å²	11.9	7%	0.069	5%	0.053	C	C	.	.	S	Bend	trans	70.8	-52.8	178.2	-170.1	52.7	0	0	0	113.7	D139 D168 N203 H286 R287 D298 H338	D139-H336 VanDerWaalsContact OD1-CA 3.32Å; D139-H336 WeakPolarHBondContact OD1-CA 3.42Å; D139-H336 PolarHBondContact OD1-N 3.49Å; D139-H336 PolarHBondContact OD2-N 3.46Å; D168-H336 IonicContact OD2-ND1 3.77Å; N203-H336 PolarHBondContact OD1-CE1 3.28Å; N203-H336 PolarHBondContact OD1-ND1 3.12Å; H286-H336 AromaticContact CD2-ND1 3.78Å; H286-H336 VanDerWaalsContact CE1-CA 3.42Å; H286-H336 WeakPolarHBondContact CE1-CA 3.32Å; H286-H336 PolarHBondContact CE1-N 2.91Å; H286-H336 WeakPolarHBondContact NE2-CB 3.33Å; H286-H336 AromaticContact NE2-CG 3.61Å; H286-H336 AromaticContact NE2-ND1 3.11Å; H286-H336 PolarHBondContact NE2-ND1 3.06Å; H286-H336 VanDerWaalsContact NE2-ND1 3.11Å; R287-H336 HydrophobicContact CG-CB 4.27Å; R287-H336 PolarHBondContact NH1-CE1 2.96Å; R287-H336 PolarHBondContact NH1-NE2 3.39Å; R287-H336 PolarHBondContact NH2-CE1 2.86Å; R287-H336 VanDerWaalsContact NH2-CE1 3.28Å; D298-H336 IonicContact OD2-CD2 3.66Å; D298-H336 IonicContact OD2-NE2 2.76Å; H336-H338 PolarHBondContact O-N 2.98Å
337	E	95.6	Very high	98	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	4%	0.041	C	C	.	.	S	Bend	trans	-73.5	123.5	171.8	-51.1	-56.7	146.2	0	0	108.7	P288 C291 N293 C299 A335 T339 I370 G372	P288-E337 HydrophobicContact CG-CG 3.91Å; C291-E337 HydrophobicContact CB-CG 3.84Å; N293-E337 WeakPolarHBondContact CB-OE2 3.45Å; N293-E337 VanDerWaalsContact CG-OE2 3.25Å; C299-E337 PolarHBondContact SG-OE1 3.19Å; C299-E337 PolarHBondContact SG-OE2 3.19Å; A335-E337 PolarHBondContact O-N 3.36Å; E337-T339 PolarHBondContact O-N 3.22Å; E337-I370 HydrophobicContact CB-CG2 3.93Å; E337-I370 HydrophobicContact CG-CD1 4.49Å; E337-I370 HydrophobicContact CG-CG2 4.33Å; E337-G372 CarbonylContact O-C 3.59Å; E337-G372 VanDerWaalsContact O-CA 3.27Å; E337-G372 WeakPolarHBondContact O-CA 3.42Å
338	H	96.9	Very high	97.8	Very high	7 Å²	7	9.8 Å²	9.8	3%	0.032	5%	0.048	C	C	.	.	S	Bend	trans	-75.8	50.6	-177.1	-55.3	138.2	0	0	0	113	D139 Y171 H336 G372 C376 E378 N379 H380 D381	D139-H338 IonicContact OD1-CD2 2.86Å; D139-H338 IonicContact OD1-NE2 3.62Å; Y171-H338 AromaticContact CE1-NE2 3.87Å; Y171-H338 AromaticContact CZ-NE2 3.77Å; Y171-H338 PolarHBondContact OH-NE2 2.98Å; H336-H338 PolarHBondContact O-N 2.98Å; H338-G372 VanDerWaalsContact CA-O 3.27Å; H338-G372 WeakPolarHBondContact CA-O 3.32Å; H338-C376 VanDerWaalsContact CE1-SG 3.56Å; H338-C376 PolarHBondContact NE2-SG 3.27Å; H338-C376 VanDerWaalsContact NE2-SG 3.38Å; H338-E378 IonicContact CE1-OE2 2.83Å; H338-N379 WeakPolarHBondContact CB-O 3.3Å; H338-N379 PolarHBondContact ND1-O 2.73Å; H338-N379 VanDerWaalsContact ND1-O 3.12Å; H338-H380 WeakPolarHBondContact O-CA 3.43Å; H338-H380 PolarHBondContact O-CD2 3.26Å; H338-D381 WeakPolarHBondContact CA-OD2 3.21Å; H338-D381 WeakPolarHBondContact CB-OD2 3.27Å; H338-D381 IonicContact CG-OD2 3.87Å; H338-D381 VanDerWaalsContact CG-OD2 3.31Å; H338-D381 PolarHBondContact N-OD2 3Å; H338-D381 IonicContact ND1-OD1 2.98Å; H338-D381 IonicContact ND1-OD2 3.84Å; H338-D381 PolarHBondContact ND1-OD2 3.14Å
339	T	96.7	Very high	97.6	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.058	C	C	.	.	S	Bend	trans	-148.1	176.9	-177.6	58	0	0	0	0	110.9	N293 E337 G372 S373 D381 F383 S395 T396	N293-T339 VanDerWaalsContact ND2-CG2 3.26Å; N293-T339 WeakPolarHBondContact ND2-CG2 3.41Å; N293-T339 PolarHBondContact ND2-OG1 2.87Å; E337-T339 PolarHBondContact O-N 3.22Å; T339-G372 PolarHBondContact O-N 3.07Å; T339-S373 PolarHBondContact O-OG 3.23Å; T339-S373 VanDerWaalsContact O-OG 3.09Å; T339-D381 HydrophobicContact CG2-CB 4.45Å; T339-D381 WeakPolarHBondContact CG2-O 3.26Å; T339-F383 VanDerWaalsContact CB-CZ 3.42Å; T339-F383 HydrophobicContact CG2-CD2 4.41Å; T339-F383 HydrophobicContact CG2-CE1 4.39Å; T339-F383 HydrophobicContact CG2-CE2 3.74Å; T339-F383 HydrophobicContact CG2-CZ 3.75Å; T339-F383 WeakPolarHBondContact OG1-CZ 3.37Å; T339-S395 WeakPolarHBondContact CB-O 3.41Å; T339-T396 HydrophobicContact CG2-CG2 4.18Å
340	Y	98.5	Very high	97.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.1	162.7	173	-101.1	0	0	0	109.5	R342 I369 I370 F393 R394 S395 Q415 D426	Y340-R342 HydrophobicContact CE1-CB 4.24Å; Y340-I369 HydrophobicContact CD2-CG2 4.5Å; Y340-I369 HydrophobicContact CE2-CG2 3.78Å; Y340-I370 WeakPolarHBondContact CA-O 3.39Å; Y340-I370 VanDerWaalsContact CD2-O 3.25Å; Y340-I370 WeakPolarHBondContact CD2-O 3.28Å; Y340-F393 AromaticContact CD1-CD1 3.81Å; Y340-F393 HydrophobicContact CD1-CD1 3.81Å; Y340-F393 AromaticContact CD1-CE1 4Å; Y340-F393 HydrophobicContact CD1-CE1 4Å; Y340-F393 AromaticContact CE1-CD1 3.63Å; Y340-F393 HydrophobicContact CE1-CD1 3.63Å; Y340-F393 HydrophobicContact CE1-CE1 4.05Å; Y340-R394 CarbonylContact O-C 3.59Å; Y340-R394 WeakPolarHBondContact O-CA 3.18Å; Y340-S395 PolarHBondContact N-O 3.4Å; Y340-S395 PolarHBondContact O-N 3.33Å; Y340-Q415 HydrophobicContact CD1-CB 4.04Å; Y340-Q415 HydrophobicContact CD1-CG 3.75Å; Y340-Q415 HydrophobicContact CD2-CB 4.03Å; Y340-Q415 HydrophobicContact CD2-CG 3.69Å; Y340-Q415 HydrophobicContact CE1-CB 3.76Å; Y340-Q415 HydrophobicContact CE1-CG 4.03Å; Y340-Q415 HydrophobicContact CE2-CB 3.74Å; Y340-Q415 HydrophobicContact CE2-CG 3.96Å; Y340-Q415 HydrophobicContact CG-CB 4.16Å; Y340-Q415 HydrophobicContact CG-CG 3.56Å; Y340-D426 HydrophobicContact CE1-CB 3.79Å; Y340-D426 WeakPolarHBondContact CE1-OD2 3.36Å; Y340-D426 PolarHBondContact OH-OD2 2.91Å; Y340-D426 VanDerWaalsContact OH-OD2 3.1Å
341	E	98.4	Very high	97.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	121.7	172.3	-171.2	167.4	-157.6	0	0	110.2	S292 L343 I370 F383 S391 F393 R394	S292-E341 PolarHBondContact N-OE2 2.84Å; S292-E341 PolarHBondContact OG-OE1 2.85Å; S292-E341 PolarHBondContact OG-OE2 2.98Å; E341-L343 HydrophobicContact CB-CD1 4.44Å; E341-L343 HydrophobicContact CG-CD1 3.93Å; E341-I370 HydrophobicContact CB-CB 4.2Å; E341-I370 HydrophobicContact CB-CD1 4.07Å; E341-I370 HydrophobicContact CB-CG1 4.34Å; E341-I370 PolarHBondContact N-O 2.9Å; E341-I370 PolarHBondContact O-N 3.27Å; E341-F383 HydrophobicContact CB-CE1 4.27Å; E341-F383 HydrophobicContact CB-CZ 4.38Å; E341-S391 WeakPolarHBondContact OE1-CB 3.45Å; E341-S391 PolarHBondContact OE1-OG 3.42Å; E341-F393 WeakPolarHBondContact CA-O 3.25Å; E341-R394 HydrophobicContact CG-CG 3.97Å; E341-R394 IonicContact OE1-CZ 3.17Å; E341-R394 IonicContact OE1-NE 3.27Å; E341-R394 PolarHBondContact OE1-NE 3.45Å; E341-R394 IonicContact OE1-NH2 3.96Å; E341-R394 PolarHBondContact OE1-NH2 2.69Å
342	R	98.4	Very high	97.4	Very high	21 Å²	21	24.4 Å²	24.4	8%	0.079	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.2	166.7	170.9	170.5	54.1	78	-0.9	109	Y340 Y360 I369 A392 F393 D426 I428	Y340-R342 HydrophobicContact CE1-CB 4.24Å; R342-Y360 WeakPolarHBondContact CD-OH 3.4Å; R342-Y360 WeakPolarHBondContact CG-OH 3.36Å; R342-Y360 PolarHBondContact NH1-OH 2.82Å; R342-I369 HydrophobicContact CB-CD1 3.85Å; R342-I369 HydrophobicContact CG-CD1 3.65Å; R342-A392 HydrophobicContact CG-CB 4.41Å; R342-A392 VanDerWaalsContact NH1-CB 3.28Å; R342-A392 WeakPolarHBondContact O-CA 3.18Å; R342-A392 VanDerWaalsContact O-CB 3.3Å; R342-A392 WeakPolarHBondContact O-CB 3.38Å; R342-A392 PolarHBondContact O-N 3.29Å; R342-F393 HydrophobicContact CB-CB 4.33Å; R342-F393 PolarHBondContact N-O 2.64Å; R342-F393 PolarHBondContact O-N 2.94Å; R342-D426 IonicContact CZ-OD1 2.64Å; R342-D426 IonicContact CZ-OD2 2.89Å; R342-D426 VanDerWaalsContact CZ-OD2 3.26Å; R342-D426 IonicContact NE-OD1 3.45Å; R342-D426 IonicContact NE-OD2 2.65Å; R342-D426 PolarHBondContact NE-OD2 2.89Å; R342-D426 VanDerWaalsContact NH2-CG 3.26Å; R342-D426 IonicContact NH2-OD1 3.84Å; R342-D426 PolarHBondContact NH2-OD1 2.88Å; R342-D426 IonicContact NH2-OD2 3.65Å; R342-D426 PolarHBondContact NH2-OD2 3.34Å; R342-I428 VanDerWaalsContact NE-CG2 3.32Å
343	L	98	Very high	97.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	157.5	176.5	-69.9	75.8	0	0	0	110.7	Y290 E341 V346 Y360 H368 I370 W390	Y290-L343 VanDerWaalsContact CB-CD2 3.42Å; Y290-L343 HydrophobicContact CD2-CD2 4.49Å; Y290-L343 HydrophobicContact CG-CD2 4.18Å; E341-L343 HydrophobicContact CB-CD1 4.44Å; E341-L343 HydrophobicContact CG-CD1 3.93Å; L343-V346 HydrophobicContact CD2-CG1 4.1Å; L343-Y360 WeakPolarHBondContact O-CE1 3.27Å; L343-Y360 PolarHBondContact O-OH 3.48Å; L343-H368 HydrophobicContact CB-CB 4.12Å; L343-H368 HydrophobicContact CD1-CB 4.12Å; L343-H368 HydrophobicContact CD2-CB 4.06Å; L343-H368 HydrophobicContact CG-CB 4.32Å; L343-H368 PolarHBondContact N-O 2.59Å; L343-H368 VanDerWaalsContact N-O 3.11Å; L343-I370 HydrophobicContact CD1-CD1 4.36Å; L343-I370 HydrophobicContact CD1-CG1 4.25Å; L343-W390 CarbonylContact C-O 3.55Å; L343-W390 WeakPolarHBondContact CA-O 3.13Å; L343-W390 HydrophobicContact CB-CE3 4.46Å; L343-W390 HydrophobicContact CD1-CZ3 4.33Å; L343-W390 HydrophobicContact CD2-CD2 4.2Å; L343-W390 HydrophobicContact CD2-CE3 3.28Å; L343-W390 HydrophobicContact CD2-CH2 4.37Å; L343-W390 HydrophobicContact CD2-CZ3 3.41Å; L343-W390 VanDerWaalsContact CD2-CZ3 3.41Å; L343-W390 HydrophobicContact CG-CE3 3.56Å; L343-W390 HydrophobicContact CG-CZ3 3.68Å
344	W	97.8	Very high	97.1	Very high	65 Å²	65	27.9 Å²	27.9	25%	0.246	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-66	156.2	156.6	-60.4	120.7	0	0	0	109.4	V346 V351 P359 Y360 W390 A392	W344-V346 PolarHBondContact O-N 3.11Å; W344-V346 VanDerWaalsContact O-N 3.12Å; W344-V351 HydrophobicContact CB-CB 4.44Å; W344-V351 HydrophobicContact CB-CG1 3.65Å; W344-V351 HydrophobicContact CB-CG2 4Å; W344-V351 HydrophobicContact CG-CG1 4.13Å; W344-V351 HydrophobicContact CG-CG2 4.44Å; W344-P359 HydrophobicContact CE3-CB 3.6Å; W344-P359 HydrophobicContact CE3-CG 4.06Å; W344-P359 HydrophobicContact CH2-CG 4.13Å; W344-P359 HydrophobicContact CZ3-CB 3.46Å; W344-P359 VanDerWaalsContact CZ3-CB 3.46Å; W344-P359 HydrophobicContact CZ3-CG 3.49Å; W344-P359 VanDerWaalsContact CZ3-CG 3.49Å; W344-Y360 AromaticContact CE3-CE2 3.89Å; W344-Y360 HydrophobicContact CE3-CE2 3.89Å; W344-Y360 AromaticContact CE3-CZ 3.7Å; W344-Y360 HydrophobicContact CZ3-CD2 4.48Å; W344-Y360 AromaticContact CZ3-CE2 3.57Å; W344-Y360 HydrophobicContact CZ3-CE2 3.57Å; W344-Y360 AromaticContact CZ3-CZ 3.86Å; W344-W390 PolarHBondContact N-O 2.82Å; W344-A392 HydrophobicContact CD2-CB 3.46Å; W344-A392 VanDerWaalsContact CD2-CB 3.46Å; W344-A392 HydrophobicContact CE3-CB 3.75Å; W344-A392 HydrophobicContact CG-CB 3.97Å; W344-A392 HydrophobicContact CH2-CB 3.9Å; W344-A392 HydrophobicContact CZ2-CB 3.62Å; W344-A392 HydrophobicContact CZ3-CB 3.95Å
345	P	98	Very high	97	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-52.6	121.3	169.6	-19.7	28.1	0	0	0	110.3	V351 F352 N353 Y360 P363 A365 P366 V367	P345-V351 CarbonylContact O-C 3.19Å; P345-V351 WeakPolarHBondContact O-CA 3.45Å; P345-F352 PolarHBondContact O-N 2.95Å; P345-N353 VanDerWaalsContact CD-OD1 3.31Å; P345-N353 WeakPolarHBondContact CD-OD1 3.33Å; P345-Y360 HydrophobicContact CG-CD1 4.23Å; P345-Y360 HydrophobicContact CG-CE1 4.36Å; P345-P363 HydrophobicContact CB-CB 3.72Å; P345-P363 HydrophobicContact CG-CB 3.36Å; P345-P363 HydrophobicContact CG-CG 4.41Å; P345-A365 HydrophobicContact CB-CB 4.25Å; P345-P366 VanDerWaalsContact CA-O 3.27Å; P345-P366 WeakPolarHBondContact CA-O 3.2Å; P345-V367 HydrophobicContact CG-CG2 4.22Å
346	V	97.3	Very high	96.8	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.006	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	141.4	-167.8	62.7	0	0	0	0	111.5	Y290 L343 W344 K350 P366 H368 W390	Y290-V346 HydrophobicContact CD2-CG1 3.58Å; Y290-V346 HydrophobicContact CE1-CG2 4.23Å; Y290-V346 HydrophobicContact CE2-CB 4.45Å; Y290-V346 HydrophobicContact CE2-CG1 3.6Å; Y290-V346 HydrophobicContact CE2-CG2 4.12Å; Y290-V346 HydrophobicContact CG-CG1 4.24Å; L343-V346 HydrophobicContact CD2-CG1 4.1Å; W344-V346 PolarHBondContact O-N 3.11Å; W344-V346 VanDerWaalsContact O-N 3.12Å; V346-K350 WeakPolarHBondContact CA-O 3.19Å; V346-P366 PolarHBondContact N-O 2.79Å; V346-H368 WeakPolarHBondContact CG1-CD2 3.33Å; V346-W390 HydrophobicContact CB-CB 4.35Å; V346-W390 HydrophobicContact CG2-CB 3.99Å; V346-W390 HydrophobicContact CG2-CG 4.38Å
347	Y	97.3	Very high	96.7	Very high	60 Å²	60	43.4 Å²	43.4	24%	0.235	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	132	170.1	169.7	-106.2	0	0	0	109.3	E321 D322 Y325 Y349 K350 F352	E321-Y347 HydrophobicContact CG-CD2 3.76Å; E321-Y347 HydrophobicContact CG-CE2 3.93Å; E321-Y347 WeakPolarHBondContact OE1-CA 3.44Å; D322-Y347 PolarHBondContact OD1-OH 3.04Å; D322-Y347 VanDerWaalsContact OD1-OH 3.06Å; Y325-Y347 HydrophobicContact CD1-CD1 4.37Å; Y325-Y347 HydrophobicContact CD1-CD2 4.07Å; Y325-Y347 HydrophobicContact CD1-CE1 4.15Å; Y325-Y347 AromaticContact CD1-CE2 3.82Å; Y325-Y347 HydrophobicContact CD1-CE2 3.82Å; Y325-Y347 HydrophobicContact CD1-CG 4.32Å; Y325-Y347 AromaticContact CD1-CZ 3.85Å; Y325-Y347 HydrophobicContact CD2-CD1 4.16Å; Y325-Y347 AromaticContact CD2-CD2 3.57Å; Y325-Y347 HydrophobicContact CD2-CD2 3.57Å; Y325-Y347 HydrophobicContact CD2-CE2 4.18Å; Y325-Y347 AromaticContact CD2-CG 3.54Å; Y325-Y347 HydrophobicContact CD2-CG 3.54Å; Y325-Y347 HydrophobicContact CE1-CD1 4.21Å; Y325-Y347 HydrophobicContact CE1-CE1 4.08Å; Y325-Y347 HydrophobicContact CE1-CG 4.5Å; Y325-Y347 HydrophobicContact CE2-CD1 4Å; Y325-Y347 HydrophobicContact CE2-CD2 4.25Å; Y325-Y347 AromaticContact CE2-CG 3.76Å; Y325-Y347 HydrophobicContact CE2-CG 3.76Å; Y325-Y347 HydrophobicContact CG-CD1 4.35Å; Y325-Y347 AromaticContact CG-CD2 3.48Å; Y325-Y347 HydrophobicContact CG-CD2 3.48Å; Y325-Y347 VanDerWaalsContact CG-CD2 3.48Å; Y325-Y347 HydrophobicContact CG-CE1 4.48Å; Y325-Y347 AromaticContact CG-CE2 3.62Å; Y325-Y347 HydrophobicContact CG-CE2 3.62Å; Y325-Y347 AromaticContact CG-CG 3.86Å; Y325-Y347 HydrophobicContact CG-CG 3.86Å; Y347-Y349 PolarHBondContact O-N 3.38Å; Y347-K350 PolarHBondContact N-O 2.92Å; Y347-K350 PolarHBondContact O-N 2.8Å; Y347-F352 HydrophobicContact CD1-CE2 4.09Å; Y347-F352 HydrophobicContact CD1-CZ 4.45Å; Y347-F352 HydrophobicContact CG-CE2 4.48Å; Y347-F352 WeakPolarHBondContact O-CE2 3.3Å
348	G	95.4	Very high	96.8	Very high	32 Å²	32	48.9 Å²	48.9	33%	0.33	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	43.1	-176	0	0	0	0	0	113.2	Y290 E321 K350	Y290-G348 PolarHBondContact OH-N 2.78Å; E321-G348 PolarHBondContact OE1-N 3.33Å; G348-K350 PolarHBondContact O-N 3.13Å
349	Y	93.2	Very high	96.9	Very high	49 Å²	49	49.4 Å²	49.4	19%	0.192	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	16	-175.6	-72.9	-71.4	0	0	0	116.4	Y290 F302 Y347 W390	Y290-Y349 AromaticContact CD1-CD1 3.8Å; Y290-Y349 HydrophobicContact CD1-CD1 3.8Å; Y290-Y349 AromaticContact CD1-CE1 3.4Å; Y290-Y349 HydrophobicContact CD1-CE1 3.4Å; Y290-Y349 VanDerWaalsContact CD1-CE1 3.4Å; Y290-Y349 AromaticContact CD1-CZ 3.92Å; Y290-Y349 AromaticContact CE1-CD1 3.43Å; Y290-Y349 HydrophobicContact CE1-CD1 3.43Å; Y290-Y349 VanDerWaalsContact CE1-CD1 3.43Å; Y290-Y349 HydrophobicContact CE1-CD2 4.12Å; Y290-Y349 AromaticContact CE1-CE1 3.39Å; Y290-Y349 HydrophobicContact CE1-CE1 3.39Å; Y290-Y349 HydrophobicContact CE1-CE2 4.1Å; Y290-Y349 AromaticContact CE1-CG 3.81Å; Y290-Y349 HydrophobicContact CE1-CG 3.81Å; Y290-Y349 AromaticContact CE1-CZ 3.74Å; Y290-Y349 PolarHBondContact OH-N 3.25Å; F302-Y349 AromaticContact CD1-CD2 3.91Å; F302-Y349 HydrophobicContact CD1-CD2 3.91Å; F302-Y349 AromaticContact CD1-CE2 3.34Å; F302-Y349 HydrophobicContact CD1-CE2 3.34Å; F302-Y349 AromaticContact CD1-CZ 3.8Å; F302-Y349 HydrophobicContact CD2-CE1 4.11Å; F302-Y349 HydrophobicContact CD2-CE2 4.19Å; F302-Y349 AromaticContact CD2-CZ 3.78Å; F302-Y349 HydrophobicContact CE1-CD1 4.23Å; F302-Y349 AromaticContact CE1-CD2 3.11Å; F302-Y349 HydrophobicContact CE1-CD2 3.11Å; F302-Y349 HydrophobicContact CE1-CE1 4.2Å; F302-Y349 AromaticContact CE1-CE2 3.05Å; F302-Y349 HydrophobicContact CE1-CE2 3.05Å; F302-Y349 AromaticContact CE1-CG 3.71Å; F302-Y349 HydrophobicContact CE1-CG 3.71Å; F302-Y349 AromaticContact CE1-CZ 3.65Å; F302-Y349 AromaticContact CE2-CD1 3.85Å; F302-Y349 HydrophobicContact CE2-CD1 3.85Å; F302-Y349 HydrophobicContact CE2-CD2 4.22Å; F302-Y349 AromaticContact CE2-CE1 3.58Å; F302-Y349 HydrophobicContact CE2-CE1 3.58Å; F302-Y349 AromaticContact CE2-CE2 3.94Å; F302-Y349 HydrophobicContact CE2-CE2 3.94Å; F302-Y349 HydrophobicContact CE2-CG 4.15Å; F302-Y349 AromaticContact CE2-CZ 3.62Å; F302-Y349 AromaticContact CG-CE2 3.92Å; F302-Y349 HydrophobicContact CG-CE2 3.92Å; F302-Y349 AromaticContact CG-CZ 3.87Å; F302-Y349 AromaticContact CZ-CD1 3.53Å; F302-Y349 HydrophobicContact CZ-CD1 3.53Å; F302-Y349 AromaticContact CZ-CD2 3.3Å; F302-Y349 HydrophobicContact CZ-CD2 3.3Å; F302-Y349 AromaticContact CZ-CE1 3.64Å; F302-Y349 HydrophobicContact CZ-CE1 3.64Å; F302-Y349 AromaticContact CZ-CE2 3.38Å; F302-Y349 HydrophobicContact CZ-CE2 3.38Å; F302-Y349 AromaticContact CZ-CG 3.35Å; F302-Y349 HydrophobicContact CZ-CG 3.35Å; F302-Y349 AromaticContact CZ-CZ 3.56Å; F302-Y349 VanDerWaalsContact O-CE2 3.3Å; F302-Y349 WeakPolarHBondContact O-CE2 3.47Å; F302-Y349 VanDerWaalsContact O-CZ 3.32Å; F302-Y349 PolarHBondContact O-OH 3.24Å; Y347-Y349 PolarHBondContact O-N 3.38Å; Y349-W390 AromaticContact CD1-CD1 3.84Å; Y349-W390 AromaticContact CD1-NE1 3.4Å; Y349-W390 HydrophobicContact CE1-CZ2 4.45Å; Y349-W390 AromaticContact CE1-NE1 3.69Å
350	K	95.8	Very high	96.9	Very high	144 Å²	144	50.2 Å²	50.2	63%	0.626	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	139.9	176.3	-65.7	173.2	-175.4	172.8	0	109.9	V346 Y347 G348 F352	V346-K350 WeakPolarHBondContact CA-O 3.19Å; Y347-K350 PolarHBondContact N-O 2.92Å; Y347-K350 PolarHBondContact O-N 2.8Å; G348-K350 PolarHBondContact O-N 3.13Å; K350-F352 HydrophobicContact CB-CD2 4.3Å; K350-F352 HydrophobicContact CB-CE2 3.63Å; K350-F352 HydrophobicContact CB-CZ 4.15Å; K350-F352 WeakPolarHBondContact O-CD2 3.36Å; K350-F352 WeakPolarHBondContact O-CE2 3.29Å
351	V	97.8	Very high	96.9	Very high	57 Å²	57	52.1 Å²	52.1	35%	0.345	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	131.9	177.3	174	0	0	0	0	110.3	W344 P345 N353 W390	W344-V351 HydrophobicContact CB-CB 4.44Å; W344-V351 HydrophobicContact CB-CG1 3.65Å; W344-V351 HydrophobicContact CB-CG2 4Å; W344-V351 HydrophobicContact CG-CG1 4.13Å; W344-V351 HydrophobicContact CG-CG2 4.44Å; P345-V351 CarbonylContact O-C 3.19Å; P345-V351 WeakPolarHBondContact O-CA 3.45Å; V351-N353 HydrophobicContact CG1-CB 4.34Å; V351-N353 VanDerWaalsContact CG1-CG 3.45Å; V351-N353 WeakPolarHBondContact CG1-OD1 3.27Å; V351-W390 HydrophobicContact CG2-CB 3.86Å
352	F	97.6	Very high	96.9	Very high	59 Å²	59	54.5 Å²	54.5	26%	0.259	28%	0.28	S	S	.	.			trans	-125.5	48.5	-175.4	-75.2	-81.2	0	0	0	111.3	P345 Y347 K350 K364 A365	P345-F352 PolarHBondContact O-N 2.95Å; Y347-F352 HydrophobicContact CD1-CE2 4.09Å; Y347-F352 HydrophobicContact CD1-CZ 4.45Å; Y347-F352 HydrophobicContact CG-CE2 4.48Å; Y347-F352 WeakPolarHBondContact O-CE2 3.3Å; K350-F352 HydrophobicContact CB-CD2 4.3Å; K350-F352 HydrophobicContact CB-CE2 3.63Å; K350-F352 HydrophobicContact CB-CZ 4.15Å; K350-F352 WeakPolarHBondContact O-CD2 3.36Å; K350-F352 WeakPolarHBondContact O-CE2 3.29Å; F352-K364 HydrophobicContact CB-CB 3.92Å; F352-K364 HydrophobicContact CD1-CB 4.22Å; F352-K364 HydrophobicContact CG-CB 4.5Å; F352-K364 PolarHBondContact O-N 3.12Å; F352-A365 HydrophobicContact CB-CB 3.6Å; F352-A365 HydrophobicContact CD2-CB 3.97Å; F352-A365 HydrophobicContact CG-CB 4.06Å
353	N	97.1	Very high	96.9	Very high	46 Å²	46	53.6 Å²	53.6	25%	0.246	28%	0.276	C	S	.	.			trans	-53.7	148.1	174.1	-70.7	-4.5	0	0	0	112	P345 V351 P359	P345-N353 VanDerWaalsContact CD-OD1 3.31Å; P345-N353 WeakPolarHBondContact CD-OD1 3.33Å; V351-N353 HydrophobicContact CG1-CB 4.34Å; V351-N353 VanDerWaalsContact CG1-CG 3.45Å; V351-N353 WeakPolarHBondContact CG1-OD1 3.27Å; N353-P359 HydrophobicContact CB-CB 4.07Å
354	G	96.3	Very high	96.8	Very high	29 Å²	29	57 Å²	57	30%	0.299	29%	0.291	S	S	.	.	S	Bend	trans	-64.9	-45.1	170.2	0	0	0	0	0	112.6	P359 V361	G354-P359 PolarHBondContact N-O 2.79Å; G354-V361 WeakPolarHBondContact CA-O 3.46Å
355	S	96.3	Very high	96.9	Very high	47 Å²	47	54 Å²	54	33%	0.329	28%	0.28	S	S	.	.			trans	-153.9	175.4	170.2	62.3	0	0	0	0	110.8	Q358 P359	S355-Q358 PolarHBondContact N-O 3.04Å; S355-Q358 CarbonylContact O-C 3.47Å; S355-Q358 WeakPolarHBondContact OG-CA 3.31Å; S355-Q358 WeakPolarHBondContact OG-CB 3.41Å; S355-Q358 PolarHBondContact OG-N 2.8Å; S355-Q358 PolarHBondContact OG-O 2.8Å; S355-P359 WeakPolarHBondContact O-CA 3.47Å
356	I	93.3	Very high	96.9	Very high	150 Å²	150	54.1 Å²	54.1	77%	0.769	28%	0.28	S	S	*	.	S	Bend	trans	-67.5	-42.9	175.6	-63.9	174.2	0	0	0	110
357	E	96.3	Very high	96.9	Very high	145 Å²	145	54 Å²	54	68%	0.678	28%	0.28	S	S	*	.	S	Bend	trans	-80.7	-29.6	-175.7	-62	73.7	-163	0	0	112.8
358	Q	97.2	Very high	97	Very high	114 Å²	114	51.3 Å²	51.3	53%	0.533	27%	0.269	S	S	.	.			trans	-131.9	74.7	179.5	-62.5	-68.5	-71.5	0	0	110.6	S355 Y360 V361	S355-Q358 PolarHBondContact N-O 3.04Å; S355-Q358 CarbonylContact O-C 3.47Å; S355-Q358 WeakPolarHBondContact OG-CA 3.31Å; S355-Q358 WeakPolarHBondContact OG-CB 3.41Å; S355-Q358 PolarHBondContact OG-N 2.8Å; S355-Q358 PolarHBondContact OG-O 2.8Å; Q358-Y360 VanDerWaalsContact C-N 3.26Å; Q358-Y360 PolarHBondContact O-N 2.84Å; Q358-V361 HydrophobicContact CB-CB 3.92Å; Q358-V361 HydrophobicContact CB-CG2 3.76Å; Q358-V361 HydrophobicContact CG-CG2 4.32Å; Q358-V361 PolarHBondContact O-N 3.27Å
359	P	97.7	Very high	97.1	Very high	18 Å²	18	49.8 Å²	49.8	12%	0.117	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-33.3	-176.7	-31.3	40	0	0	0	115.1	W344 N353 G354 S355	W344-P359 HydrophobicContact CE3-CB 3.6Å; W344-P359 HydrophobicContact CE3-CG 4.06Å; W344-P359 HydrophobicContact CH2-CG 4.13Å; W344-P359 HydrophobicContact CZ3-CB 3.46Å; W344-P359 VanDerWaalsContact CZ3-CB 3.46Å; W344-P359 HydrophobicContact CZ3-CG 3.49Å; W344-P359 VanDerWaalsContact CZ3-CG 3.49Å; N353-P359 HydrophobicContact CB-CB 4.07Å; G354-P359 PolarHBondContact N-O 2.79Å; S355-P359 WeakPolarHBondContact O-CA 3.47Å
360	Y	98.4	Very high	97.4	Very high	17 Å²	17	47.4 Å²	47.4	7%	0.067	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	9.7	-174.6	-57.7	-76	0	0	0	114	R342 L343 W344 P345 Q358 V367 A392 I428 W429 V431	R342-Y360 WeakPolarHBondContact CD-OH 3.4Å; R342-Y360 WeakPolarHBondContact CG-OH 3.36Å; R342-Y360 PolarHBondContact NH1-OH 2.82Å; L343-Y360 WeakPolarHBondContact O-CE1 3.27Å; L343-Y360 PolarHBondContact O-OH 3.48Å; W344-Y360 AromaticContact CE3-CE2 3.89Å; W344-Y360 HydrophobicContact CE3-CE2 3.89Å; W344-Y360 AromaticContact CE3-CZ 3.7Å; W344-Y360 HydrophobicContact CZ3-CD2 4.48Å; W344-Y360 AromaticContact CZ3-CE2 3.57Å; W344-Y360 HydrophobicContact CZ3-CE2 3.57Å; W344-Y360 AromaticContact CZ3-CZ 3.86Å; P345-Y360 HydrophobicContact CG-CD1 4.23Å; P345-Y360 HydrophobicContact CG-CE1 4.36Å; Q358-Y360 VanDerWaalsContact C-N 3.26Å; Q358-Y360 PolarHBondContact O-N 2.84Å; Y360-V367 HydrophobicContact CD1-CG1 4.23Å; Y360-V367 HydrophobicContact CD1-CG2 3.86Å; Y360-V367 HydrophobicContact CE1-CG1 3.97Å; Y360-V367 HydrophobicContact CE1-CG2 4.24Å; Y360-A392 WeakPolarHBondContact OH-CB 3.25Å; Y360-I428 HydrophobicContact CD1-CD1 4.36Å; Y360-I428 HydrophobicContact CD2-CB 4.46Å; Y360-I428 HydrophobicContact CD2-CG2 4.01Å; Y360-I428 HydrophobicContact CE1-CD1 4.35Å; Y360-I428 HydrophobicContact CE2-CG2 3.84Å; Y360-W429 VanDerWaalsContact CB-O 3.29Å; Y360-W429 WeakPolarHBondContact CB-O 3.25Å; Y360-V431 PolarHBondContact O-N 3.39Å
361	V	98.4	Very high	97.5	Very high	41 Å²	41	40.6 Å²	40.6	25%	0.248	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-99.7	115	172.6	178.3	0	0	0	0	109.2	G354 Q358 V431	G354-V361 WeakPolarHBondContact CA-O 3.46Å; Q358-V361 HydrophobicContact CB-CB 3.92Å; Q358-V361 HydrophobicContact CB-CG2 3.76Å; Q358-V361 HydrophobicContact CG-CG2 4.32Å; Q358-V361 PolarHBondContact O-N 3.27Å; V361-V431 CarbonylContact C-O 3.4Å; V361-V431 WeakPolarHBondContact CA-O 3.43Å; V361-V431 HydrophobicContact CB-CB 4.42Å; V361-V431 HydrophobicContact CG1-CB 4.26Å; V361-V431 HydrophobicContact CG1-CG1 4.43Å; V361-V431 HydrophobicContact CG2-CB 4.06Å; V361-V431 HydrophobicContact CG2-CG2 4.21Å
362	N	97.9	Very high	97.5	Very high	50 Å²	50	37.9 Å²	37.9	27%	0.267	20%	0.198	S	C	.	.	S	Bend	trans	48.4	54.6	-170.1	-61.3	-47.2	0	0	0	112.3	V431 K432 E433	N362-V431 PolarHBondContact N-O 3.16Å; N362-K432 WeakPolarHBondContact OD1-CA 3.38Å; N362-E433 PolarHBondContact OD1-N 3.13Å
363	P	97.5	Very high	97.5	Very high	1 Å²	1	35 Å²	35	1%	0.006	19%	0.186	C	C	.	.			trans	-61.1	153.3	176.5	30.3	-36.2	0	0	0	110.5	P345 V367 W440	P345-P363 HydrophobicContact CB-CB 3.72Å; P345-P363 HydrophobicContact CG-CB 3.36Å; P345-P363 HydrophobicContact CG-CG 4.41Å; P363-V367 HydrophobicContact CG-CG2 4.39Å; P363-W440 VanDerWaalsContact O-CE3 3.25Å; P363-W440 WeakPolarHBondContact O-CZ3 3.33Å
364	K	97.4	Very high	97.5	Very high	73 Å²	73	32.9 Å²	32.9	32%	0.317	17%	0.174	S	C	.	.	S	Bend	trans	-100.7	11.1	-175.4	-62.4	-176.9	174.5	-145.4	0	113.8	Y325 F352 W440 F441	Y325-K364 WeakPolarHBondContact CE2-O 3.4Å; F352-K364 HydrophobicContact CB-CB 3.92Å; F352-K364 HydrophobicContact CD1-CB 4.22Å; F352-K364 HydrophobicContact CG-CB 4.5Å; F352-K364 PolarHBondContact O-N 3.12Å; K364-W440 VanDerWaalsContact CA-CE3 3.49Å; K364-W440 VanDerWaalsContact CD-O 3.25Å; K364-W440 WeakPolarHBondContact CD-O 3.38Å; K364-W440 WeakPolarHBondContact CG-O 3.47Å; K364-F441 PolarHBondContact NZ-OXT 3.01Å
365	A	98.1	Very high	97.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-152.6	168.3	172.5	0	0	0	0	0	109.7	Y325 P345 F352	Y325-A365 HydrophobicContact CD2-CB 4.3Å; Y325-A365 HydrophobicContact CE2-CB 3.99Å; P345-A365 HydrophobicContact CB-CB 4.25Å; F352-A365 HydrophobicContact CB-CB 3.6Å; F352-A365 HydrophobicContact CD2-CB 3.97Å; F352-A365 HydrophobicContact CG-CB 4.06Å
366	P	98.1	Very high	97.5	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.019	14%	0.144	C	C	.	.			trans	-58.3	147.8	172.9	-22.3	32.3	0	0	0	112.7	V329 E332 P345 V346 H368 W440	V329-P366 WeakPolarHBondContact O-CG 3.43Å; E332-P366 HydrophobicContact CG-CB 3.96Å; E332-P366 WeakPolarHBondContact OE1-CB 2.97Å; E332-P366 WeakPolarHBondContact OE1-CG 3.16Å; P345-P366 VanDerWaalsContact CA-O 3.27Å; P345-P366 WeakPolarHBondContact CA-O 3.2Å; V346-P366 PolarHBondContact N-O 2.79Å; P366-H368 PolarHBondContact O-CD2 2.86Å; P366-W440 HydrophobicContact CG-CZ2 4.32Å
367	V	98.3	Very high	97.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	135.1	170.5	178.2	0	0	0	0	108.8	D330 L331 E332 P345 Y360 P363 I369 I428 V430	D330-V367 PolarHBondContact O-N 3.03Å; D330-V367 VanDerWaalsContact O-N 3.13Å; L331-V367 CarbonylContact C-O 3.59Å; L331-V367 WeakPolarHBondContact CA-O 2.89Å; L331-V367 HydrophobicContact CD1-CB 4.11Å; L331-V367 HydrophobicContact CD1-CG1 4.04Å; E332-V367 PolarHBondContact N-O 3.48Å; P345-V367 HydrophobicContact CG-CG2 4.22Å; Y360-V367 HydrophobicContact CD1-CG1 4.23Å; Y360-V367 HydrophobicContact CD1-CG2 3.86Å; Y360-V367 HydrophobicContact CE1-CG1 3.97Å; Y360-V367 HydrophobicContact CE1-CG2 4.24Å; P363-V367 HydrophobicContact CG-CG2 4.39Å; V367-I369 HydrophobicContact CG1-CD1 4.4Å; V367-I428 HydrophobicContact CG1-CD1 4.28Å; V367-V430 HydrophobicContact CG2-CG1 4.29Å; V367-V430 HydrophobicContact CG2-CG2 4.25Å
368	H	98.6	Very high	97.5	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.009	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	134.9	177.2	-57.9	-112	0	0	0	110.6	Y290 E332 W334 L343 V346 P366	Y290-H368 AromaticContact CD2-CE1 3.9Å; E332-H368 WeakPolarHBondContact O-CA 3.41Å; E332-H368 IonicContact OE2-CE1 3.82Å; E332-H368 PolarHBondContact OE2-CE1 2.58Å; E332-H368 IonicContact OE2-ND1 3.6Å; E332-H368 PolarHBondContact OE2-ND1 3.33Å; E332-H368 IonicContact OE2-NE2 2.66Å; W334-H368 AromaticContact NE1-CG 3.93Å; W334-H368 AromaticContact NE1-ND1 3.2Å; W334-H368 PolarHBondContact NE1-ND1 3.37Å; W334-H368 VanDerWaalsContact NE1-ND1 3.2Å; L343-H368 HydrophobicContact CB-CB 4.12Å; L343-H368 HydrophobicContact CD1-CB 4.12Å; L343-H368 HydrophobicContact CD2-CB 4.06Å; L343-H368 HydrophobicContact CG-CB 4.32Å; L343-H368 PolarHBondContact N-O 2.59Å; L343-H368 VanDerWaalsContact N-O 3.11Å; V346-H368 WeakPolarHBondContact CG1-CD2 3.33Å; P366-H368 PolarHBondContact O-CD2 2.86Å
369	I	98.8	Very high	97.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	125.6	173.8	-57.3	-65.1	0	0	0	108.3	L331 E332 L333 W334 Y340 R342 V367 L413 I428	L331-I369 HydrophobicContact CD1-CG1 3.86Å; E332-I369 PolarHBondContact O-N 3.44Å; L333-I369 HydrophobicContact CD2-CB 4.09Å; W334-I369 PolarHBondContact N-O 3.16Å; Y340-I369 HydrophobicContact CD2-CG2 4.5Å; Y340-I369 HydrophobicContact CE2-CG2 3.78Å; R342-I369 HydrophobicContact CB-CD1 3.85Å; R342-I369 HydrophobicContact CG-CD1 3.65Å; V367-I369 HydrophobicContact CG1-CD1 4.4Å; I369-L413 HydrophobicContact CG1-CD1 4.44Å; I369-I428 HydrophobicContact CD1-CD1 4.21Å
370	I	98.6	Very high	97	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	125.1	168.7	-50	179.2	0	0	0	107.8	P288 Y290 C291 W334 E337 Y340 E341 L343	P288-I370 HydrophobicContact CB-CD1 4.04Å; P288-I370 HydrophobicContact CB-CG1 4.24Å; P288-I370 HydrophobicContact CG-CD1 4.19Å; Y290-I370 WeakPolarHBondContact O-CD1 3.34Å; C291-I370 HydrophobicContact CB-CD1 3.77Å; W334-I370 HydrophobicContact CB-CG1 4.25Å; W334-I370 WeakPolarHBondContact O-CA 3.44Å; E337-I370 HydrophobicContact CB-CG2 3.93Å; E337-I370 HydrophobicContact CG-CD1 4.49Å; E337-I370 HydrophobicContact CG-CG2 4.33Å; Y340-I370 WeakPolarHBondContact CA-O 3.39Å; Y340-I370 VanDerWaalsContact CD2-O 3.25Å; Y340-I370 WeakPolarHBondContact CD2-O 3.28Å; E341-I370 HydrophobicContact CB-CB 4.2Å; E341-I370 HydrophobicContact CB-CD1 4.07Å; E341-I370 HydrophobicContact CB-CG1 4.34Å; E341-I370 PolarHBondContact N-O 2.9Å; E341-I370 PolarHBondContact O-N 3.27Å; L343-I370 HydrophobicContact CD1-CD1 4.36Å; L343-I370 HydrophobicContact CD1-CG1 4.25Å
371	T	98.4	Very high	96.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	47.7	-177.7	-177.4	0	0	0	0	112.1	V136 Y137 G138 W334 S373 T401	V136-T371 HydrophobicContact CG1-CG2 3.89Å; V136-T371 PolarHBondContact O-OG1 2.89Å; Y137-T371 WeakPolarHBondContact CA-O 3.5Å; G138-T371 PolarHBondContact N-O 3.3Å; W334-T371 PolarHBondContact O-N 2.84Å; T371-S373 VanDerWaalsContact C-N 3.33Å; T371-S373 PolarHBondContact O-N 3.48Å; T371-T401 PolarHBondContact OG1-N 3.47Å; T371-T401 PolarHBondContact OG1-OG1 3.24Å
372	G	97.8	Very high	96	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.127	C	C	.	.			trans	-89.6	22.6	-178.2	0	0	0	0	0	115	D139 E337 H338 T339	D139-G372 WeakPolarHBondContact CB-O 2.99Å; D139-G372 WeakPolarHBondContact OD2-CA 3.29Å; E337-G372 CarbonylContact O-C 3.59Å; E337-G372 VanDerWaalsContact O-CA 3.27Å; E337-G372 WeakPolarHBondContact O-CA 3.42Å; H338-G372 VanDerWaalsContact CA-O 3.27Å; H338-G372 WeakPolarHBondContact CA-O 3.32Å; T339-G372 PolarHBondContact O-N 3.07Å
373	S	97	Very high	95.8	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.122	C	C	.	.			trans	-108.2	33.2	-173.8	41.1	0	0	0	0	113.4	T339 T371 G375 Y398 G399	T339-S373 PolarHBondContact O-OG 3.23Å; T339-S373 VanDerWaalsContact O-OG 3.09Å; T371-S373 VanDerWaalsContact C-N 3.33Å; T371-S373 PolarHBondContact O-N 3.48Å; S373-G375 VanDerWaalsContact C-N 3.26Å; S373-G375 PolarHBondContact O-N 3.01Å; S373-Y398 CarbonylContact O-C 3.6Å; S373-Y398 VanDerWaalsContact O-CA 3.25Å; S373-Y398 WeakPolarHBondContact O-CA 3.14Å; S373-Y398 WeakPolarHBondContact O-CD1 3.48Å; S373-G399 CarbonylContact C-O 3.53Å; S373-G399 PolarHBondContact O-N 3.47Å
374	A	98	Very high	95.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	-75.6	-15.4	179.1	0	0	0	0	0	114.2	Y137 G138 M140 Q146 S147 G399	Y137-A374 HydrophobicContact CD2-CB 3.94Å; Y137-A374 HydrophobicContact CG-CB 4.19Å; G138-A374 VanDerWaalsContact O-CB 3.3Å; G138-A374 WeakPolarHBondContact O-CB 3.26Å; M140-A374 HydrophobicContact CB-CB 3.95Å; M140-A374 HydrophobicContact CG-CB 4.37Å; Q146-A374 PolarHBondContact N-O 2.89Å; S147-A374 WeakPolarHBondContact CB-O 3.38Å; S147-A374 PolarHBondContact N-O 3.45Å; S147-A374 WeakPolarHBondContact OG-CA 3.42Å; S147-A374 PolarHBondContact OG-O 3.07Å; A374-G399 WeakPolarHBondContact CA-O 3.45Å; A374-G399 PolarHBondContact N-O 3.01Å
375	G	96.6	Very high	95.1	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.			trans	155.4	-137.7	-177.8	0	0	0	0	0	111	D139 N144 S373	D139-G375 CarbonylContact O-C 3.6Å; D139-G375 PolarHBondContact O-N 3.43Å; D139-G375 VanDerWaalsContact O-O 3.13Å; N144-G375 CarbonylContact O-C 3.53Å; N144-G375 WeakPolarHBondContact O-CA 3.49Å; S373-G375 VanDerWaalsContact C-N 3.26Å; S373-G375 PolarHBondContact O-N 3.01Å
376	C	95.3	Very high	94.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.			trans	92.9	153.4	-178	96.7	0	0	0	0	115.7	D139 N144 Y171 H338 E378 N379	D139-C376 WeakPolarHBondContact O-CB 3.45Å; N144-C376 VanDerWaalsContact CB-O 3.25Å; N144-C376 WeakPolarHBondContact CB-O 3.48Å; N144-C376 PolarHBondContact ND2-O 2.88Å; N144-C376 PolarHBondContact O-N 2.92Å; Y171-C376 HydrophobicContact CD1-CB 4.08Å; Y171-C376 HydrophobicContact CD2-CB 3.64Å; Y171-C376 HydrophobicContact CE1-CB 3.81Å; Y171-C376 HydrophobicContact CE2-CB 3.29Å; Y171-C376 HydrophobicContact CG-CB 4.01Å; H338-C376 VanDerWaalsContact CE1-SG 3.56Å; H338-C376 PolarHBondContact NE2-SG 3.27Å; H338-C376 VanDerWaalsContact NE2-SG 3.38Å; C376-E378 PolarHBondContact O-N 3.42Å; C376-E378 PolarHBondContact SG-N 3.43Å; C376-E378 VanDerWaalsContact SG-N 3.36Å; C376-N379 PolarHBondContact O-N 3.25Å
377	R	95.6	Very high	94.4	Very high	78 Å²	78	38.9 Å²	38.9	29%	0.294	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-16.2	-177.7	67.6	-177.5	179.9	-176.9	-6.5	113.3	E143 Y171 D172 E175 N379	E143-R377 HydrophobicContact CB-CB 4.24Å; Y171-R377 PolarHBondContact O-NE 2.93Å; Y171-R377 VanDerWaalsContact O-NE 3.13Å; Y171-R377 PolarHBondContact O-NH1 3.24Å; Y171-R377 VanDerWaalsContact O-NH1 3.09Å; Y171-R377 PolarHBondContact O-NH2 2.97Å; D172-R377 IonicContact OD1-NH2 3.82Å; D172-R377 PolarHBondContact OD1-NH2 2.9Å; D172-R377 VanDerWaalsContact OD1-NH2 3.14Å; E175-R377 VanDerWaalsContact CD-NH1 3.33Å; E175-R377 IonicContact OE1-CZ 3.88Å; E175-R377 IonicContact OE1-NH1 2.91Å; E175-R377 PolarHBondContact OE1-NH1 3.28Å; E175-R377 VanDerWaalsContact OE1-NH1 3.13Å; E175-R377 IonicContact OE1-NH2 3.3Å; E175-R377 PolarHBondContact OE1-NH2 3.38Å; E175-R377 IonicContact OE2-CZ 2.82Å; E175-R377 IonicContact OE2-NH1 2.73Å; E175-R377 PolarHBondContact OE2-NH1 3.36Å; E175-R377 IonicContact OE2-NH2 2.73Å; R377-N379 PolarHBondContact O-ND2 2.89Å
378	E	93.8	Very high	94.1	Very high	95 Å²	95	44 Å²	44	44%	0.444	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-13.5	-177.2	-52.2	-165.7	161.6	0	0	112.4	Y171 H204 H338 C376	Y171-E378 HydrophobicContact CD1-CG 4.13Å; Y171-E378 HydrophobicContact CE1-CG 4.33Å; H204-E378 IonicContact CE1-OE1 3.94Å; H204-E378 PolarHBondContact CE1-OE1 2.7Å; H204-E378 VanDerWaalsContact CE1-OE1 3.27Å; H204-E378 IonicContact NE2-OE1 2.62Å; H204-E378 IonicContact NE2-OE2 3.56Å; H338-E378 IonicContact CE1-OE2 2.83Å; C376-E378 PolarHBondContact O-N 3.42Å; C376-E378 PolarHBondContact SG-N 3.43Å; C376-E378 VanDerWaalsContact SG-N 3.36Å
379	N	92.3	Very high	93.8	Very high	82 Å²	82	51.1 Å²	51.1	44%	0.439	27%	0.269	S	S	.	.			trans	65.3	-153.3	-179.4	-45.1	-83.7	0	0	0	112.4	H338 C376 R377 Y398	H338-N379 WeakPolarHBondContact CB-O 3.3Å; H338-N379 PolarHBondContact ND1-O 2.73Å; H338-N379 VanDerWaalsContact ND1-O 3.12Å; C376-N379 PolarHBondContact O-N 3.25Å; R377-N379 PolarHBondContact O-ND2 2.89Å; N379-Y398 WeakPolarHBondContact CA-OH 3.1Å; N379-Y398 WeakPolarHBondContact CB-OH 3.27Å; N379-Y398 PolarHBondContact OD1-OH 3.28Å
380	H	92.1	Very high	93.6	Very high	59 Å²	59	51.7 Å²	51.7	27%	0.273	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-88.3	151.6	-174.2	-56.2	112.7	0	0	0	113.9	H338 T396 Y398	H338-H380 WeakPolarHBondContact O-CA 3.43Å; H338-H380 PolarHBondContact O-CD2 3.26Å; H380-T396 PolarHBondContact CD2-O 3.09Å; H380-T396 PolarHBondContact CE1-O 2.9Å; H380-T396 PolarHBondContact NE2-O 3.33Å; H380-Y398 AromaticContact CD2-CD1 3.96Å; H380-Y398 AromaticContact CD2-CE1 3.72Å; H380-Y398 AromaticContact CD2-CZ 3.98Å; H380-Y398 AromaticContact CE1-CD1 3.97Å; H380-Y398 AromaticContact CE1-CD2 3.33Å; H380-Y398 WeakPolarHBondContact CE1-CD2 3.47Å; H380-Y398 AromaticContact CE1-CE1 3.71Å; H380-Y398 AromaticContact CE1-CE2 3.06Å; H380-Y398 WeakPolarHBondContact CE1-CE2 3.47Å; H380-Y398 AromaticContact CE1-CG 3.79Å; H380-Y398 AromaticContact CE1-CZ 3.25Å; H380-Y398 AromaticContact ND1-CE2 3.94Å; H380-Y398 AromaticContact ND1-CZ 3.83Å; H380-Y398 AromaticContact NE2-CD1 3.23Å; H380-Y398 WeakPolarHBondContact NE2-CD1 3.12Å; H380-Y398 AromaticContact NE2-CD2 3.36Å; H380-Y398 WeakPolarHBondContact NE2-CD2 3.13Å; H380-Y398 AromaticContact NE2-CE1 3.24Å; H380-Y398 WeakPolarHBondContact NE2-CE1 3.23Å; H380-Y398 AromaticContact NE2-CE2 3.4Å; H380-Y398 WeakPolarHBondContact NE2-CE2 3.13Å; H380-Y398 AromaticContact NE2-CG 3.28Å; H380-Y398 VanDerWaalsContact NE2-CG 3.28Å; H380-Y398 AromaticContact NE2-CZ 3.32Å; H380-Y398 VanDerWaalsContact NE2-CZ 3.32Å; H380-Y398 PolarHBondContact NE2-N 2.83Å
381	D	86.5	Confident	93.5	Very high	25 Å²	25	52.4 Å²	52.4	13%	0.134	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-91.3	133.5	169.4	-61.5	-49.4	0	0	0	111.8	N293 H338 T339	N293-D381 HydrophobicContact CB-CB 4.13Å; H338-D381 WeakPolarHBondContact CA-OD2 3.21Å; H338-D381 WeakPolarHBondContact CB-OD2 3.27Å; H338-D381 IonicContact CG-OD2 3.87Å; H338-D381 VanDerWaalsContact CG-OD2 3.31Å; H338-D381 PolarHBondContact N-OD2 3Å; H338-D381 IonicContact ND1-OD1 2.98Å; H338-D381 IonicContact ND1-OD2 3.84Å; H338-D381 PolarHBondContact ND1-OD2 3.14Å; T339-D381 HydrophobicContact CG2-CB 4.45Å; T339-D381 WeakPolarHBondContact CG2-O 3.26Å
382	P	90.5	Very high	93.5	Very high	72 Å²	72	53.7 Å²	53.7	47%	0.468	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-75.1	135	178.9	30.1	-33.1	0	0	0	110.7	N293 N294	N293-P382 CarbonylContact C-O 3.44Å; N294-P382 WeakPolarHBondContact CA-O 3.33Å; N294-P382 WeakPolarHBondContact CB-O 3.19Å; N294-P382 PolarHBondContact N-O 3.45Å
383	F	92.9	Very high	93.5	Very high	36 Å²	36	56.6 Å²	56.6	16%	0.158	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-68.9	153.4	170.6	-73.4	-68.8	0	0	0	113.1	T339 E341 R394 T396	T339-F383 VanDerWaalsContact CB-CZ 3.42Å; T339-F383 HydrophobicContact CG2-CD2 4.41Å; T339-F383 HydrophobicContact CG2-CE1 4.39Å; T339-F383 HydrophobicContact CG2-CE2 3.74Å; T339-F383 HydrophobicContact CG2-CZ 3.75Å; T339-F383 WeakPolarHBondContact OG1-CZ 3.37Å; E341-F383 HydrophobicContact CB-CE1 4.27Å; E341-F383 HydrophobicContact CB-CZ 4.38Å; F383-R394 HydrophobicContact CD1-CG 4.15Å; F383-R394 HydrophobicContact CD2-CB 4.09Å; F383-R394 HydrophobicContact CD2-CG 4.49Å; F383-R394 HydrophobicContact CE1-CB 4.2Å; F383-R394 HydrophobicContact CE1-CG 3.8Å; F383-R394 HydrophobicContact CE2-CB 3.66Å; F383-R394 HydrophobicContact CE2-CG 4.19Å; F383-R394 HydrophobicContact CG-CG 4.47Å; F383-R394 HydrophobicContact CZ-CB 3.71Å; F383-R394 HydrophobicContact CZ-CG 3.81Å; F383-T396 HydrophobicContact CD2-CG2 3.73Å; F383-T396 HydrophobicContact CE2-CG2 3.78Å
384	V	91	Very high	93.5	Very high	31 Å²	31	58.6 Å²	58.6	19%	0.188	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-59.5	143.9	162.9	-61.5	0	0	0	0	110.4	S292 N294 N386 R394	S292-V384 WeakPolarHBondContact O-CG2 3.47Å; S292-V384 PolarHBondContact O-N 2.65Å; N294-V384 HydrophobicContact CB-CG1 3.97Å; V384-N386 VanDerWaalsContact C-N 3.3Å; V384-N386 WeakPolarHBondContact CG2-O 3.43Å; V384-N386 PolarHBondContact O-N 2.92Å; V384-R394 PolarHBondContact O-NH1 2.99Å
385	P	89.8	Confident	93.5	Very high	119 Å²	119	59.3 Å²	59.3	77%	0.773	31%	0.312	S	S	*	.	S	Bend	trans	-60.4	-34.2	-172.3	-27.2	34.5	0	0	0	115.3
386	N	90	Very high	93.5	Very high	135 Å²	135	62.3 Å²	62.3	72%	0.722	33%	0.33	S	S	*	.	S	Bend	trans	-109.1	119.3	179.5	-66.2	-46	0	0	0	109.2	V384	V384-N386 VanDerWaalsContact C-N 3.3Å; V384-N386 WeakPolarHBondContact CG2-O 3.43Å; V384-N386 PolarHBondContact O-N 2.92Å
387	P	90.6	Very high	93.6	Very high	82 Å²	82	63.7 Å²	63.7	53%	0.532	34%	0.338	S	S	.	.			trans	-56.5	143.2	175.8	-27	35.3	0	0	0	113.4	R394	P387-R394 VanDerWaalsContact CA-CZ 3.41Å; P387-R394 VanDerWaalsContact CA-NH2 3.27Å
388	R	91.6	Very high	93.8	Very high	107 Å²	107	60.9 Å²	60.9	40%	0.404	33%	0.327	S	S	.	.			trans	-70	150.2	172.1	-60.9	-67.2	-167.3	173.5	2.4	108.4	W390 S391	R388-W390 HydrophobicContact CB-CD2 3.79Å; R388-W390 VanDerWaalsContact CB-CE2 3.4Å; R388-W390 HydrophobicContact CB-CE3 4.31Å; R388-W390 HydrophobicContact CB-CG 4.25Å; R388-W390 HydrophobicContact CB-CH2 4.21Å; R388-W390 HydrophobicContact CB-CZ2 3.68Å; R388-W390 HydrophobicContact CB-CZ3 4.49Å; R388-W390 HydrophobicContact CG-CH2 4.14Å; R388-W390 HydrophobicContact CG-CZ2 3.58Å; R388-W390 PolarHBondContact O-N 3.27Å; R388-S391 VanDerWaalsContact O-CB 3.22Å; R388-S391 WeakPolarHBondContact O-CB 3.28Å; R388-S391 PolarHBondContact O-N 2.75Å
389	D	93.3	Very high	94	Very high	153 Å²	153	56.4 Å²	56.4	82%	0.818	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25	-176.4	-63.6	-19	0	0	0	113.7
390	W	94.6	Very high	94.3	Very high	11 Å²	11	52.5 Å²	52.5	4%	0.042	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-5.9	176.4	49.7	-106.9	0	0	0	113.8	C291 L343 W344 V346 Y349 V351 R388	C291-W390 VanDerWaalsContact C-CH2 3.49Å; C291-W390 VanDerWaalsContact O-CH2 3.32Å; C291-W390 WeakPolarHBondContact O-CH2 3.49Å; L343-W390 CarbonylContact C-O 3.55Å; L343-W390 WeakPolarHBondContact CA-O 3.13Å; L343-W390 HydrophobicContact CB-CE3 4.46Å; L343-W390 HydrophobicContact CD1-CZ3 4.33Å; L343-W390 HydrophobicContact CD2-CD2 4.2Å; L343-W390 HydrophobicContact CD2-CE3 3.28Å; L343-W390 HydrophobicContact CD2-CH2 4.37Å; L343-W390 HydrophobicContact CD2-CZ3 3.41Å; L343-W390 VanDerWaalsContact CD2-CZ3 3.41Å; L343-W390 HydrophobicContact CG-CE3 3.56Å; L343-W390 HydrophobicContact CG-CZ3 3.68Å; W344-W390 PolarHBondContact N-O 2.82Å; V346-W390 HydrophobicContact CB-CB 4.35Å; V346-W390 HydrophobicContact CG2-CB 3.99Å; V346-W390 HydrophobicContact CG2-CG 4.38Å; Y349-W390 AromaticContact CD1-CD1 3.84Å; Y349-W390 AromaticContact CD1-NE1 3.4Å; Y349-W390 HydrophobicContact CE1-CZ2 4.45Å; Y349-W390 AromaticContact CE1-NE1 3.69Å; V351-W390 HydrophobicContact CG2-CB 3.86Å; R388-W390 HydrophobicContact CB-CD2 3.79Å; R388-W390 VanDerWaalsContact CB-CE2 3.4Å; R388-W390 HydrophobicContact CB-CE3 4.31Å; R388-W390 HydrophobicContact CB-CG 4.25Å; R388-W390 HydrophobicContact CB-CH2 4.21Å; R388-W390 HydrophobicContact CB-CZ2 3.68Å; R388-W390 HydrophobicContact CB-CZ3 4.49Å; R388-W390 HydrophobicContact CG-CH2 4.14Å; R388-W390 HydrophobicContact CG-CZ2 3.58Å; R388-W390 PolarHBondContact O-N 3.27Å
391	S	96.5	Very high	94.6	Very high	15 Å²	15	49.7 Å²	49.7	11%	0.105	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	121.8	177	-175.9	0	0	0	0	110.6	E341 R388 R394	E341-S391 WeakPolarHBondContact OE1-CB 3.45Å; E341-S391 PolarHBondContact OE1-OG 3.42Å; R388-S391 VanDerWaalsContact O-CB 3.22Å; R388-S391 WeakPolarHBondContact O-CB 3.28Å; R388-S391 PolarHBondContact O-N 2.75Å; S391-R394 PolarHBondContact OG-NE 3.19Å; S391-R394 PolarHBondContact OG-NH2 3.31Å
392	A	97.3	Very high	95.2	Very high	27 Å²	27	50.3 Å²	50.3	22%	0.223	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-39.5	-176	0	0	0	0	0	112.5	R342 W344 Y360	R342-A392 HydrophobicContact CG-CB 4.41Å; R342-A392 VanDerWaalsContact NH1-CB 3.28Å; R342-A392 WeakPolarHBondContact O-CA 3.18Å; R342-A392 VanDerWaalsContact O-CB 3.3Å; R342-A392 WeakPolarHBondContact O-CB 3.38Å; R342-A392 PolarHBondContact O-N 3.29Å; W344-A392 HydrophobicContact CD2-CB 3.46Å; W344-A392 VanDerWaalsContact CD2-CB 3.46Å; W344-A392 HydrophobicContact CE3-CB 3.75Å; W344-A392 HydrophobicContact CG-CB 3.97Å; W344-A392 HydrophobicContact CH2-CB 3.9Å; W344-A392 HydrophobicContact CZ2-CB 3.62Å; W344-A392 HydrophobicContact CZ3-CB 3.95Å; Y360-A392 WeakPolarHBondContact OH-CB 3.25Å
393	F	98.1	Very high	95.6	Very high	62 Å²	62	47 Å²	47	27%	0.272	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	144.8	178.4	-176	-84.1	0	0	0	110.4	Y340 E341 R342 I425 D426	Y340-F393 AromaticContact CD1-CD1 3.81Å; Y340-F393 HydrophobicContact CD1-CD1 3.81Å; Y340-F393 AromaticContact CD1-CE1 4Å; Y340-F393 HydrophobicContact CD1-CE1 4Å; Y340-F393 AromaticContact CE1-CD1 3.63Å; Y340-F393 HydrophobicContact CE1-CD1 3.63Å; Y340-F393 HydrophobicContact CE1-CE1 4.05Å; E341-F393 WeakPolarHBondContact CA-O 3.25Å; R342-F393 HydrophobicContact CB-CB 4.33Å; R342-F393 PolarHBondContact N-O 2.64Å; R342-F393 PolarHBondContact O-N 2.94Å; F393-I425 HydrophobicContact CE1-CD1 4.39Å; F393-I425 WeakPolarHBondContact CZ-O 3.32Å; F393-D426 HydrophobicContact CD1-CB 3.83Å; F393-D426 HydrophobicContact CD2-CB 4.46Å; F393-D426 HydrophobicContact CE1-CB 3.74Å; F393-D426 HydrophobicContact CE2-CB 4.37Å; F393-D426 HydrophobicContact CG-CB 4.19Å; F393-D426 HydrophobicContact CZ-CB 4.02Å
394	R	97.4	Very high	95.9	Very high	42 Å²	42	47.9 Å²	47.9	16%	0.158	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	141.7	-179.2	-70	176.9	-174.8	-171.1	-0.3	110.6	S292 Y340 E341 F383 V384 P387 S391	S292-R394 PolarHBondContact OG-NE 3.49Å; S292-R394 PolarHBondContact OG-NH2 2.81Å; Y340-R394 CarbonylContact O-C 3.59Å; Y340-R394 WeakPolarHBondContact O-CA 3.18Å; E341-R394 HydrophobicContact CG-CG 3.97Å; E341-R394 IonicContact OE1-CZ 3.17Å; E341-R394 IonicContact OE1-NE 3.27Å; E341-R394 PolarHBondContact OE1-NE 3.45Å; E341-R394 IonicContact OE1-NH2 3.96Å; E341-R394 PolarHBondContact OE1-NH2 2.69Å; F383-R394 HydrophobicContact CD1-CG 4.15Å; F383-R394 HydrophobicContact CD2-CB 4.09Å; F383-R394 HydrophobicContact CD2-CG 4.49Å; F383-R394 HydrophobicContact CE1-CB 4.2Å; F383-R394 HydrophobicContact CE1-CG 3.8Å; F383-R394 HydrophobicContact CE2-CB 3.66Å; F383-R394 HydrophobicContact CE2-CG 4.19Å; F383-R394 HydrophobicContact CG-CG 4.47Å; F383-R394 HydrophobicContact CZ-CB 3.71Å; F383-R394 HydrophobicContact CZ-CG 3.81Å; V384-R394 PolarHBondContact O-NH1 2.99Å; P387-R394 VanDerWaalsContact CA-CZ 3.41Å; P387-R394 VanDerWaalsContact CA-NH2 3.27Å; S391-R394 PolarHBondContact OG-NE 3.19Å; S391-R394 PolarHBondContact OG-NH2 3.31Å
395	S	97.8	Very high	96.3	Very high	14 Å²	14	46.4 Å²	46.4	10%	0.098	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	138.9	171.1	-177.9	0	0	0	0	110.4	T339 Y340 D397 I425	T339-S395 WeakPolarHBondContact CB-O 3.41Å; Y340-S395 PolarHBondContact N-O 3.4Å; Y340-S395 PolarHBondContact O-N 3.33Å; S395-D397 WeakPolarHBondContact OG-CB 3.47Å; S395-D397 PolarHBondContact OG-N 2.97Å; S395-I425 VanDerWaalsContact OG-CD1 3.22Å; S395-I425 WeakPolarHBondContact OG-CD1 3.47Å
396	T	96.8	Very high	96.7	Very high	63 Å²	63	43.3 Å²	43.3	39%	0.387	22%	0.222	S	C	.	.			trans	-98.9	9.6	169.2	59.3	0	0	0	0	111.3	T339 H380 F383	T339-T396 HydrophobicContact CG2-CG2 4.18Å; H380-T396 PolarHBondContact CD2-O 3.09Å; H380-T396 PolarHBondContact CE1-O 2.9Å; H380-T396 PolarHBondContact NE2-O 3.33Å; F383-T396 HydrophobicContact CD2-CG2 3.73Å; F383-T396 HydrophobicContact CE2-CG2 3.78Å
397	D	98.1	Very high	97.1	Very high	30 Å²	30	39.9 Å²	39.9	16%	0.16	20%	0.204	C	C	.	.	S	Bend	trans	-67.1	141.5	174.2	-71.1	13.4	0	0	0	109.7	S395 S417 D419 Q420 I425	S395-D397 WeakPolarHBondContact OG-CB 3.47Å; S395-D397 PolarHBondContact OG-N 2.97Å; D397-S417 WeakPolarHBondContact CB-OG 3.31Å; D397-S417 VanDerWaalsContact OD2-CB 3.31Å; D397-S417 WeakPolarHBondContact OD2-CB 3.3Å; D397-S417 PolarHBondContact OD2-OG 3.31Å; D397-D419 VanDerWaalsContact CA-OD2 3.23Å; D397-D419 WeakPolarHBondContact CA-OD2 3.45Å; D397-D419 HydrophobicContact CB-CB 4.21Å; D397-Q420 PolarHBondContact OD2-NE2 2.68Å; D397-I425 HydrophobicContact CB-CD1 4.39Å
398	Y	98.6	Very high	97.4	Very high	19 Å²	19	39.2 Å²	39.2	8%	0.075	20%	0.198	C	C	.	.			trans	-61.8	144.2	161.9	-69.7	-66.9	0	0	0	110.5	N144 Q146 S373 N379 H380 S417 D418 D419	N144-Y398 PolarHBondContact ND2-OH 2.85Å; N144-Y398 VanDerWaalsContact ND2-OH 3.07Å; Q146-Y398 HydrophobicContact CB-CD1 4.04Å; Q146-Y398 HydrophobicContact CB-CD2 4.04Å; Q146-Y398 HydrophobicContact CB-CG 3.68Å; Q146-Y398 HydrophobicContact CG-CD1 4Å; Q146-Y398 HydrophobicContact CG-CD2 3.58Å; Q146-Y398 HydrophobicContact CG-CE1 4.21Å; Q146-Y398 HydrophobicContact CG-CE2 3.77Å; Q146-Y398 HydrophobicContact CG-CG 3.69Å; S373-Y398 CarbonylContact O-C 3.6Å; S373-Y398 VanDerWaalsContact O-CA 3.25Å; S373-Y398 WeakPolarHBondContact O-CA 3.14Å; S373-Y398 WeakPolarHBondContact O-CD1 3.48Å; N379-Y398 WeakPolarHBondContact CA-OH 3.1Å; N379-Y398 WeakPolarHBondContact CB-OH 3.27Å; N379-Y398 PolarHBondContact OD1-OH 3.28Å; H380-Y398 AromaticContact CD2-CD1 3.96Å; H380-Y398 AromaticContact CD2-CE1 3.72Å; H380-Y398 AromaticContact CD2-CZ 3.98Å; H380-Y398 AromaticContact CE1-CD1 3.97Å; H380-Y398 AromaticContact CE1-CD2 3.33Å; H380-Y398 WeakPolarHBondContact CE1-CD2 3.47Å; H380-Y398 AromaticContact CE1-CE1 3.71Å; H380-Y398 AromaticContact CE1-CE2 3.06Å; H380-Y398 WeakPolarHBondContact CE1-CE2 3.47Å; H380-Y398 AromaticContact CE1-CG 3.79Å; H380-Y398 AromaticContact CE1-CZ 3.25Å; H380-Y398 AromaticContact ND1-CE2 3.94Å; H380-Y398 AromaticContact ND1-CZ 3.83Å; H380-Y398 AromaticContact NE2-CD1 3.23Å; H380-Y398 WeakPolarHBondContact NE2-CD1 3.12Å; H380-Y398 AromaticContact NE2-CD2 3.36Å; H380-Y398 WeakPolarHBondContact NE2-CD2 3.13Å; H380-Y398 AromaticContact NE2-CE1 3.24Å; H380-Y398 WeakPolarHBondContact NE2-CE1 3.23Å; H380-Y398 AromaticContact NE2-CE2 3.4Å; H380-Y398 WeakPolarHBondContact NE2-CE2 3.13Å; H380-Y398 AromaticContact NE2-CG 3.28Å; H380-Y398 VanDerWaalsContact NE2-CG 3.28Å; H380-Y398 AromaticContact NE2-CZ 3.32Å; H380-Y398 VanDerWaalsContact NE2-CZ 3.32Å; H380-Y398 PolarHBondContact NE2-N 2.83Å; Y398-S417 CarbonylContact O-C 3.54Å; Y398-S417 WeakPolarHBondContact O-CA 3.3Å; Y398-D418 PolarHBondContact O-N 3.08Å; Y398-D419 PolarHBondContact N-OD2 3.35Å
399	G	98.4	Very high	97.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.1	-163.9	-177.4	0	0	0	0	0	114.4	S147 S373 A374 V416	S147-G399 WeakPolarHBondContact OG-CA 3.42Å; S147-G399 PolarHBondContact OG-O 2.75Å; S147-G399 VanDerWaalsContact OG-O 3.08Å; S373-G399 CarbonylContact C-O 3.53Å; S373-G399 PolarHBondContact O-N 3.47Å; A374-G399 WeakPolarHBondContact CA-O 3.45Å; A374-G399 PolarHBondContact N-O 3.01Å; G399-V416 WeakPolarHBondContact CA-O 3.46Å
400	Y	98.9	Very high	98	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	159.9	178.2	59.8	-82.2	0	0	0	110.3	A135 R150 L151 E154 Y160 R402 Q415 V416	A135-Y400 HydrophobicContact CB-CD2 4.33Å; R150-Y400 HydrophobicContact CB-CE1 4.24Å; R150-Y400 WeakPolarHBondContact CD-OH 3.48Å; R150-Y400 HydrophobicContact CG-CE1 4.17Å; R150-Y400 WeakPolarHBondContact CG-OH 3.24Å; L151-Y400 HydrophobicContact CD2-CD1 4.17Å; L151-Y400 HydrophobicContact CD2-CD2 3.75Å; L151-Y400 HydrophobicContact CD2-CE1 4.2Å; L151-Y400 HydrophobicContact CD2-CE2 3.79Å; L151-Y400 HydrophobicContact CD2-CG 3.94Å; L151-Y400 HydrophobicContact CG-CD1 4.23Å; L151-Y400 HydrophobicContact CG-CE1 4.23Å; L151-Y400 HydrophobicContact CG-CG 4.44Å; E154-Y400 PolarHBondContact OE1-OH 3.01Å; E154-Y400 PolarHBondContact OE2-OH 2.95Å; Y160-Y400 VanDerWaalsContact OH-CE2 3.3Å; Y160-Y400 WeakPolarHBondContact OH-CE2 3.37Å; Y400-R402 HydrophobicContact CD2-CG 4.39Å; Y400-R402 HydrophobicContact CE2-CG 3.89Å; Y400-Q415 PolarHBondContact O-OE1 2.78Å; Y400-V416 HydrophobicContact CD1-CB 4.49Å; Y400-V416 HydrophobicContact CE1-CB 4.14Å; Y400-V416 HydrophobicContact CE1-CG1 4.04Å; Y400-V416 HydrophobicContact CE2-CB 4.33Å; Y400-V416 HydrophobicContact CE2-CG2 4.18Å; Y400-V416 PolarHBondContact N-O 3.31Å; Y400-V416 PolarHBondContact O-N 2.46Å
401	T	98.9	Very high	98.2	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	135.4	177	-71.4	0	0	0	0	110.4	V136 T371 L413 E414 Q415	V136-T401 HydrophobicContact CB-CG2 4.49Å; V136-T401 PolarHBondContact N-O 2.95Å; V136-T401 PolarHBondContact O-N 3.27Å; T371-T401 PolarHBondContact OG1-N 3.47Å; T371-T401 PolarHBondContact OG1-OG1 3.24Å; T401-L413 HydrophobicContact CG2-CB 4.43Å; T401-L413 HydrophobicContact CG2-CD2 3.58Å; T401-E414 CarbonylContact C-O 3.48Å; T401-E414 WeakPolarHBondContact CA-O 3.23Å; T401-Q415 PolarHBondContact OG1-OE1 3.03Å
402	R	98.9	Very high	98.3	Very high	38 Å²	38	33 Å²	33	14%	0.143	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	133.8	160.2	-59.3	-173.9	-173.1	126.4	2.4	108.8	F134 E154 Y160 Y400 L413 E414 V416	F134-R402 WeakPolarHBondContact O-CA 3.41Å; E154-R402 IonicContact OE1-CZ 3.55Å; E154-R402 IonicContact OE1-NH2 2.72Å; E154-R402 PolarHBondContact OE1-NH2 3.45Å; E154-R402 IonicContact OE2-CZ 2.82Å; E154-R402 IonicContact OE2-NE 2.83Å; E154-R402 PolarHBondContact OE2-NE 2.99Å; E154-R402 VanDerWaalsContact OE2-NE 3.17Å; E154-R402 IonicContact OE2-NH2 2.67Å; E154-R402 PolarHBondContact OE2-NH2 2.8Å; Y160-R402 HydrophobicContact CE1-CG 3.98Å; Y160-R402 WeakPolarHBondContact OH-CD 3.45Å; Y160-R402 WeakPolarHBondContact OH-CG 3.48Å; Y160-R402 PolarHBondContact OH-NE 2.85Å; Y400-R402 HydrophobicContact CD2-CG 4.39Å; Y400-R402 HydrophobicContact CE2-CG 3.89Å; R402-L413 CarbonylContact O-C 3.52Å; R402-L413 WeakPolarHBondContact O-CA 3.43Å; R402-E414 HydrophobicContact CB-CG 3.81Å; R402-E414 WeakPolarHBondContact CD-OE1 3.4Å; R402-E414 HydrophobicContact CG-CG 4.45Å; R402-E414 IonicContact CZ-OE1 3.83Å; R402-E414 PolarHBondContact N-O 3.03Å; R402-E414 IonicContact NH1-OE1 3.17Å; R402-E414 PolarHBondContact NH1-OE1 3.08Å; R402-E414 PolarHBondContact O-N 2.96Å; R402-V416 HydrophobicContact CG-CG2 3.96Å; R402-V416 VanDerWaalsContact CZ-CG2 3.44Å
403	M	98.9	Very high	98.4	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.015	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.6	178.2	-178.8	179.2	68.1	0	0	109.8	R133 F134 V136 L164 I282 L331 L333 L411 Y412 L413	R133-M403 CarbonylContact C-O 3.46Å; R133-M403 WeakPolarHBondContact CA-O 3.07Å; F134-M403 HydrophobicContact CB-CB 4.22Å; F134-M403 HydrophobicContact CB-CE 4.09Å; F134-M403 HydrophobicContact CD1-CE 4.11Å; F134-M403 HydrophobicContact CD2-CB 4.42Å; F134-M403 HydrophobicContact CD2-CE 3.49Å; F134-M403 VanDerWaalsContact CD2-CE 3.49Å; F134-M403 HydrophobicContact CD2-CG 4.45Å; F134-M403 HydrophobicContact CE1-CE 4.46Å; F134-M403 HydrophobicContact CE2-CE 3.89Å; F134-M403 HydrophobicContact CG-CE 3.64Å; F134-M403 HydrophobicContact CZ-CE 4.36Å; F134-M403 PolarHBondContact N-O 3.44Å; F134-M403 PolarHBondContact O-N 2.98Å; V136-M403 HydrophobicContact CG2-CB 4.15Å; V136-M403 HydrophobicContact CG2-CE 4.4Å; L164-M403 HydrophobicContact CD1-CE 4.15Å; I282-M403 HydrophobicContact CD1-CE 4.28Å; I282-M403 HydrophobicContact CD1-SD 4.21Å; L331-M403 HydrophobicContact CD2-SD 3.68Å; L333-M403 HydrophobicContact CD1-CE 4.47Å; L333-M403 HydrophobicContact CD1-SD 4.41Å; M403-L411 HydrophobicContact CG-CD2 4.09Å; M403-L411 HydrophobicContact CG-CG 4.41Å; M403-L411 HydrophobicContact SD-CD1 4.29Å; M403-L411 HydrophobicContact SD-CD2 4.39Å; M403-Y412 CarbonylContact C-O 3.53Å; M403-Y412 WeakPolarHBondContact CA-O 3.5Å; M403-L413 HydrophobicContact CB-CD2 3.78Å; M403-L413 HydrophobicContact CB-CG 4.47Å; M403-L413 HydrophobicContact CG-CD2 3.76Å; M403-L413 HydrophobicContact CG-CG 4.18Å; M403-L413 HydrophobicContact SD-CD2 4.07Å
404	Q	98.9	Very high	98.4	Very high	54 Å²	54	30.3 Å²	30.3	25%	0.252	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	120.7	171.8	-175.9	168.4	8	0	0	110.2	S131 P132 R133 H406 Y412	S131-Q404 VanDerWaalsContact OG-CG 3.25Å; S131-Q404 WeakPolarHBondContact OG-CG 3.44Å; S131-Q404 PolarHBondContact OG-NE2 2.8Å; P132-Q404 WeakPolarHBondContact O-CA 3.09Å; R133-Q404 HydrophobicContact CG-CB 4.49Å; R133-Q404 HydrophobicContact CG-CG 4.01Å; Q404-H406 PolarHBondContact O-CD2 3.03Å; Q404-H406 PolarHBondContact O-N 2.6Å; Q404-H406 PolarHBondContact OE1-CE1 3.41Å; Q404-H406 VanDerWaalsContact OE1-CE1 3.31Å; Q404-Y412 PolarHBondContact N-O 3.4Å; Q404-Y412 PolarHBondContact O-N 2.82Å
405	V	98.7	Very high	98.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	105.1	170.2	-174.7	0	0	0	0	106.2	S131 P132 F134 S234 A235 W280 I282 L411	S131-V405 WeakPolarHBondContact CA-O 3.33Å; S131-V405 WeakPolarHBondContact CB-O 3.49Å; S131-V405 PolarHBondContact OG-O 3.02Å; P132-V405 HydrophobicContact CG-CB 4.02Å; P132-V405 HydrophobicContact CG-CG2 4.43Å; P132-V405 PolarHBondContact O-N 3.03Å; P132-V405 VanDerWaalsContact O-N 3.14Å; F134-V405 HydrophobicContact CE2-CG2 4.03Å; S234-V405 VanDerWaalsContact OG-CG1 3.25Å; S234-V405 WeakPolarHBondContact OG-CG1 3.45Å; A235-V405 HydrophobicContact CB-CG2 4.2Å; W280-V405 HydrophobicContact CG-CG1 4.23Å; I282-V405 HydrophobicContact CD1-CG2 4.28Å; V405-L411 HydrophobicContact CG2-CD1 4.05Å; V405-L411 HydrophobicContact CG2-CG 4.41Å
406	H	98.3	Very high	98.5	Very high	53 Å²	53	27.6 Å²	27.6	25%	0.245	14%	0.14	C	C	.	.			trans	-78	-42.9	-172	-80.8	-86.9	0	0	0	112.7	S131 Q404 H410 Y412 W429	S131-H406 WeakPolarHBondContact OG-CA 3.32Å; Q404-H406 PolarHBondContact O-CD2 3.03Å; Q404-H406 PolarHBondContact O-N 2.6Å; Q404-H406 PolarHBondContact OE1-CE1 3.41Å; Q404-H406 VanDerWaalsContact OE1-CE1 3.31Å; H406-H410 HydrophobicContact CB-CB 4.14Å; H406-H410 WeakPolarHBondContact CB-O 3.32Å; H406-H410 PolarHBondContact N-O 3.48Å; H406-Y412 WeakPolarHBondContact NE2-CB 3.46Å; H406-W429 HydrophobicContact CB-CZ3 4.26Å; H406-W429 AromaticContact CD2-CH2 3.33Å; H406-W429 WeakPolarHBondContact CD2-CH2 3.43Å; H406-W429 AromaticContact CD2-CZ3 3.22Å; H406-W429 WeakPolarHBondContact CD2-CZ3 3.39Å; H406-W429 AromaticContact CE1-CH2 3.72Å; H406-W429 AromaticContact CG-CH2 3.78Å; H406-W429 AromaticContact CG-CZ3 3.72Å; H406-W429 AromaticContact NE2-CH2 3.27Å; H406-W429 VanDerWaalsContact NE2-CH2 3.27Å; H406-W429 WeakPolarHBondContact NE2-CH2 3.49Å; H406-W429 AromaticContact NE2-CZ3 3.7Å
407	N	97.9	Very high	98.6	Very high	64 Å²	64	24.6 Å²	24.6	34%	0.342	12%	0.122	S	C	.	.	S	Bend	trans	-166.6	-167.5	179.6	56.2	50.3	0	0	0	108.7	S234 W280 T409 H410	S234-N407 PolarHBondContact OG-O 3.19Å; W280-N407 PolarHBondContact NE1-O 2.92Å; N407-T409 PolarHBondContact O-N 3.45Å; N407-T409 VanDerWaalsContact O-N 3.11Å; N407-T409 PolarHBondContact OD1-N 3.16Å; N407-T409 PolarHBondContact OD1-OG1 2.86Å; N407-T409 VanDerWaalsContact OD1-OG1 3.07Å; N407-H410 PolarHBondContact N-O 3.26Å; N407-H410 PolarHBondContact OD1-N 3.22Å
408	T	98.1	Very high	98.6	Very high	68 Å²	68	24.2 Å²	24.2	42%	0.417	12%	0.119	S	C	.	.	S	Bend	trans	-64.8	-10.1	-179.5	50.9	0	0	0	0	115.6	P279 H435	P279-T408 HydrophobicContact CG-CG2 3.76Å; P279-T408 WeakPolarHBondContact CG-O 3.12Å; T408-H435 PolarHBondContact O-NE2 2.96Å
409	T	98.4	Very high	98.6	Very high	41 Å²	41	26.7 Å²	26.7	25%	0.252	13%	0.134	S	C	.	.	S	Bend	trans	-131	-14.1	-176.4	60.8	0	0	0	0	114.6	W280 N407 V431 K432	W280-T409 VanDerWaalsContact CZ2-C 3.47Å; N407-T409 PolarHBondContact O-N 3.45Å; N407-T409 VanDerWaalsContact O-N 3.11Å; N407-T409 PolarHBondContact OD1-N 3.16Å; N407-T409 PolarHBondContact OD1-OG1 2.86Å; N407-T409 VanDerWaalsContact OD1-OG1 3.07Å; T409-V431 CarbonylContact O-C 3.54Å; T409-V431 VanDerWaalsContact O-CA 3.26Å; T409-V431 WeakPolarHBondContact O-CA 3.5Å; T409-K432 WeakPolarHBondContact CA-O 3.34Å; T409-K432 WeakPolarHBondContact CB-O 3.37Å; T409-K432 VanDerWaalsContact CG2-O 3.28Å; T409-K432 WeakPolarHBondContact CG2-O 3.44Å; T409-K432 PolarHBondContact O-N 2.91Å
410	H	98.8	Very high	98.6	Very high	66 Å²	66	30.1 Å²	30.1	31%	0.306	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.6	-179.1	-65.8	65.2	0	0	0	111.9	H406 N407 W429	H406-H410 HydrophobicContact CB-CB 4.14Å; H406-H410 WeakPolarHBondContact CB-O 3.32Å; H406-H410 PolarHBondContact N-O 3.48Å; N407-H410 PolarHBondContact N-O 3.26Å; N407-H410 PolarHBondContact OD1-N 3.22Å; H410-W429 HydrophobicContact CB-CE3 3.97Å; H410-W429 HydrophobicContact CB-CZ3 3.79Å
411	L	98.8	Very high	98.5	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	132.7	170.9	-177.2	158.6	0	0	0	108	W280 I282 L331 M403 V405 L413 W429 V430	W280-L411 HydrophobicContact CD2-CB 4.34Å; W280-L411 HydrophobicContact CD2-CD1 4.17Å; W280-L411 HydrophobicContact CE3-CB 4.34Å; W280-L411 HydrophobicContact CE3-CD1 3.98Å; W280-L411 HydrophobicContact CH2-CB 3.72Å; W280-L411 HydrophobicContact CZ2-CB 3.68Å; W280-L411 HydrophobicContact CZ3-CB 4.05Å; W280-L411 HydrophobicContact CZ3-CD1 4.31Å; I282-L411 HydrophobicContact CD1-CD1 3.73Å; L331-L411 HydrophobicContact CD2-CD1 4.03Å; L331-L411 HydrophobicContact CD2-CD2 4.03Å; M403-L411 HydrophobicContact CG-CD2 4.09Å; M403-L411 HydrophobicContact CG-CG 4.41Å; M403-L411 HydrophobicContact SD-CD1 4.29Å; M403-L411 HydrophobicContact SD-CD2 4.39Å; V405-L411 HydrophobicContact CG2-CD1 4.05Å; V405-L411 HydrophobicContact CG2-CG 4.41Å; L411-L413 HydrophobicContact CD2-CD1 3.43Å; L411-L413 VanDerWaalsContact CD2-CD1 3.43Å; L411-L413 HydrophobicContact CD2-CD2 4.44Å; L411-L413 HydrophobicContact CD2-CG 3.64Å; L411-W429 CarbonylContact O-C 3.43Å; L411-W429 WeakPolarHBondContact O-CA 3.17Å; L411-V430 HydrophobicContact CB-CB 4.47Å; L411-V430 HydrophobicContact CD2-CG2 4.5Å; L411-V430 PolarHBondContact N-O 2.93Å; L411-V430 PolarHBondContact O-N 2.79Å
412	Y	98.9	Very high	98.5	Very high	47 Å²	47	41.2 Å²	41.2	18%	0.184	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	138.5	178.9	179.3	-106.5	0	0	0	110.4	M403 Q404 H406 E414 S427 I428 W429	M403-Y412 CarbonylContact C-O 3.53Å; M403-Y412 WeakPolarHBondContact CA-O 3.5Å; Q404-Y412 PolarHBondContact N-O 3.4Å; Q404-Y412 PolarHBondContact O-N 2.82Å; H406-Y412 WeakPolarHBondContact NE2-CB 3.46Å; Y412-E414 HydrophobicContact CE1-CB 3.88Å; Y412-E414 HydrophobicContact CE1-CG 3.86Å; Y412-E414 VanDerWaalsContact CE1-OE2 3.3Å; Y412-E414 WeakPolarHBondContact CE1-OE2 3.48Å; Y412-E414 PolarHBondContact OH-OE2 3.23Å; Y412-S427 WeakPolarHBondContact OH-CB 3.37Å; Y412-I428 WeakPolarHBondContact CA-O 3.41Å; Y412-I428 VanDerWaalsContact CD2-O 3.3Å; Y412-I428 WeakPolarHBondContact CD2-O 3.49Å; Y412-W429 AromaticContact CD2-CD1 3.84Å; Y412-W429 AromaticContact CD2-CD2 3.82Å; Y412-W429 HydrophobicContact CD2-CD2 3.82Å; Y412-W429 AromaticContact CD2-CE2 3.46Å; Y412-W429 VanDerWaalsContact CD2-CE2 3.46Å; Y412-W429 HydrophobicContact CD2-CE3 4.48Å; Y412-W429 HydrophobicContact CD2-CG 4.07Å; Y412-W429 AromaticContact CD2-CZ2 3.87Å; Y412-W429 HydrophobicContact CD2-CZ2 3.87Å; Y412-W429 AromaticContact CD2-NE1 3.45Å; Y412-W429 AromaticContact CE2-NE1 3.78Å; Y412-W429 HydrophobicContact CG-CD2 4.41Å; Y412-W429 HydrophobicContact CG-CH2 4.42Å; Y412-W429 HydrophobicContact CG-CZ2 4.12Å
413	L	98.8	Very high	98.4	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.9	172.8	-66.4	134.1	0	0	0	109.1	L331 I369 T401 R402 M403 L411 S427 I428 V430	L331-L413 HydrophobicContact CD1-CD1 4.1Å; L331-L413 HydrophobicContact CD2-CD1 4.04Å; L331-L413 HydrophobicContact CD2-CD2 4.25Å; I369-L413 HydrophobicContact CG1-CD1 4.44Å; T401-L413 HydrophobicContact CG2-CB 4.43Å; T401-L413 HydrophobicContact CG2-CD2 3.58Å; R402-L413 CarbonylContact O-C 3.52Å; R402-L413 WeakPolarHBondContact O-CA 3.43Å; M403-L413 HydrophobicContact CB-CD2 3.78Å; M403-L413 HydrophobicContact CB-CG 4.47Å; M403-L413 HydrophobicContact CG-CD2 3.76Å; M403-L413 HydrophobicContact CG-CG 4.18Å; M403-L413 HydrophobicContact SD-CD2 4.07Å; L411-L413 HydrophobicContact CD2-CD1 3.43Å; L411-L413 VanDerWaalsContact CD2-CD1 3.43Å; L411-L413 HydrophobicContact CD2-CD2 4.44Å; L411-L413 HydrophobicContact CD2-CG 3.64Å; L413-S427 CarbonylContact O-C 3.56Å; L413-S427 VanDerWaalsContact O-CA 3.23Å; L413-S427 WeakPolarHBondContact O-CA 3.46Å; L413-I428 HydrophobicContact CB-CG1 3.92Å; L413-I428 HydrophobicContact CD1-CD1 3.78Å; L413-I428 HydrophobicContact CD1-CG1 3.97Å; L413-I428 PolarHBondContact N-O 3.18Å; L413-I428 PolarHBondContact O-N 3.26Å; L413-V430 HydrophobicContact CD1-CG2 4.23Å
414	E	98.8	Very high	98.4	Very high	31 Å²	31	47.5 Å²	47.5	15%	0.145	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	140.3	168.6	61.8	178.4	-149.9	0	0	111.5	T401 R402 Y412 V424 D426	T401-E414 CarbonylContact C-O 3.48Å; T401-E414 WeakPolarHBondContact CA-O 3.23Å; R402-E414 HydrophobicContact CB-CG 3.81Å; R402-E414 WeakPolarHBondContact CD-OE1 3.4Å; R402-E414 HydrophobicContact CG-CG 4.45Å; R402-E414 IonicContact CZ-OE1 3.83Å; R402-E414 PolarHBondContact N-O 3.03Å; R402-E414 IonicContact NH1-OE1 3.17Å; R402-E414 PolarHBondContact NH1-OE1 3.08Å; R402-E414 PolarHBondContact O-N 2.96Å; Y412-E414 HydrophobicContact CE1-CB 3.88Å; Y412-E414 HydrophobicContact CE1-CG 3.86Å; Y412-E414 VanDerWaalsContact CE1-OE2 3.3Å; Y412-E414 WeakPolarHBondContact CE1-OE2 3.48Å; Y412-E414 PolarHBondContact OH-OE2 3.23Å; E414-V424 HydrophobicContact CB-CG1 3.81Å; E414-V424 HydrophobicContact CB-CG2 4.37Å; E414-V424 HydrophobicContact CG-CG2 4.31Å; E414-D426 CarbonylContact C-O 3.58Å; E414-D426 VanDerWaalsContact CA-O 3.3Å; E414-D426 WeakPolarHBondContact CA-O 3.49Å
415	Q	98.8	Very high	98.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	120.7	173.2	-179.1	64.6	14.3	0	0	109.7	Y340 Y400 T401 V424 I425 D426	Y340-Q415 HydrophobicContact CD1-CB 4.04Å; Y340-Q415 HydrophobicContact CD1-CG 3.75Å; Y340-Q415 HydrophobicContact CD2-CB 4.03Å; Y340-Q415 HydrophobicContact CD2-CG 3.69Å; Y340-Q415 HydrophobicContact CE1-CB 3.76Å; Y340-Q415 HydrophobicContact CE1-CG 4.03Å; Y340-Q415 HydrophobicContact CE2-CB 3.74Å; Y340-Q415 HydrophobicContact CE2-CG 3.96Å; Y340-Q415 HydrophobicContact CG-CB 4.16Å; Y340-Q415 HydrophobicContact CG-CG 3.56Å; Y400-Q415 PolarHBondContact O-OE1 2.78Å; T401-Q415 PolarHBondContact OG1-OE1 3.03Å; Q415-V424 WeakPolarHBondContact O-CA 3.42Å; Q415-I425 HydrophobicContact CB-CG1 4.08Å; Q415-I425 HydrophobicContact CG-CD1 3.92Å; Q415-I425 HydrophobicContact CG-CG1 3.81Å; Q415-I425 PolarHBondContact O-N 3.46Å; Q415-D426 HydrophobicContact CB-CB 4.21Å; Q415-D426 PolarHBondContact N-O 2.94Å
416	V	98.8	Very high	98.4	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	129.8	173.7	-178	0	0	0	0	108.3	G399 Y400 R402	G399-V416 WeakPolarHBondContact CA-O 3.46Å; Y400-V416 HydrophobicContact CD1-CB 4.49Å; Y400-V416 HydrophobicContact CE1-CB 4.14Å; Y400-V416 HydrophobicContact CE1-CG1 4.04Å; Y400-V416 HydrophobicContact CE2-CB 4.33Å; Y400-V416 HydrophobicContact CE2-CG2 4.18Å; Y400-V416 PolarHBondContact N-O 3.31Å; Y400-V416 PolarHBondContact O-N 2.46Å; R402-V416 HydrophobicContact CG-CG2 3.96Å; R402-V416 VanDerWaalsContact CZ-CG2 3.44Å
417	S	98.7	Very high	98.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	121.7	173	164.3	0	0	0	0	110.6	D397 Y398 D419 Q420 G422 K423	D397-S417 WeakPolarHBondContact CB-OG 3.31Å; D397-S417 VanDerWaalsContact OD2-CB 3.31Å; D397-S417 WeakPolarHBondContact OD2-CB 3.3Å; D397-S417 PolarHBondContact OD2-OG 3.31Å; Y398-S417 CarbonylContact O-C 3.54Å; Y398-S417 WeakPolarHBondContact O-CA 3.3Å; S417-D419 PolarHBondContact OG-N 2.94Å; S417-Q420 CarbonylContact O-C 3.55Å; S417-Q420 WeakPolarHBondContact OG-CB 3.36Å; S417-Q420 PolarHBondContact OG-N 3.39Å; S417-G422 VanDerWaalsContact O-CA 3.23Å; S417-G422 WeakPolarHBondContact O-CA 3.38Å; S417-G422 PolarHBondContact O-N 3.36Å; S417-K423 PolarHBondContact N-O 3.49Å; S417-K423 PolarHBondContact O-N 3.39Å
418	D	98.4	Very high	98.5	Very high	21 Å²	21	44.9 Å²	44.9	11%	0.112	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-31.5	172.8	-84.5	-59.4	0	0	0	112.4	S147 R150 Y398 Q420 Y421	S147-D418 WeakPolarHBondContact CA-OD2 3.18Å; S147-D418 PolarHBondContact OG-OD2 3.11Å; R150-D418 IonicContact CZ-OD1 3.56Å; R150-D418 IonicContact NE-OD1 3.79Å; R150-D418 PolarHBondContact NE-OD1 3.36Å; R150-D418 IonicContact NH2-OD1 3.94Å; R150-D418 PolarHBondContact NH2-OD1 3.41Å; Y398-D418 PolarHBondContact O-N 3.08Å; D418-Q420 PolarHBondContact O-N 2.92Å; D418-Y421 PolarHBondContact O-N 2.96Å
419	D	98.2	Very high	98.5	Very high	71 Å²	71	47.2 Å²	47.2	38%	0.38	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-26.1	172.6	-66.3	-18.8	0	0	0	112.2	D397 Y398 S417	D397-D419 VanDerWaalsContact CA-OD2 3.23Å; D397-D419 WeakPolarHBondContact CA-OD2 3.45Å; D397-D419 HydrophobicContact CB-CB 4.21Å; Y398-D419 PolarHBondContact N-OD2 3.35Å; S417-D419 PolarHBondContact OG-N 2.94Å
420	Q	98.3	Very high	98.5	Very high	73 Å²	73	45.3 Å²	45.3	34%	0.341	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	31.3	173.9	-61	-177.8	61.1	0	0	112.6	D397 S417 D418 G422 K423	D397-Q420 PolarHBondContact OD2-NE2 2.68Å; S417-Q420 CarbonylContact O-C 3.55Å; S417-Q420 WeakPolarHBondContact OG-CB 3.36Å; S417-Q420 PolarHBondContact OG-N 3.39Å; D418-Q420 PolarHBondContact O-N 2.92Å; Q420-G422 VanDerWaalsContact C-N 3.33Å; Q420-G422 PolarHBondContact O-N 3.38Å; Q420-K423 HydrophobicContact CB-CB 3.9Å; Q420-K423 HydrophobicContact CB-CD 4.35Å; Q420-K423 VanDerWaalsContact O-CB 3.29Å; Q420-K423 WeakPolarHBondContact O-CB 3.31Å; Q420-K423 PolarHBondContact O-N 2.8Å; Q420-K423 VanDerWaalsContact OE1-NZ 3.13Å
421	Y	97.2	Very high	98.5	Very high	213 Å²	213	43.1 Å²	43.1	84%	0.835	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	35.7	171.1	-52.8	-83.9	0	0	0	114.9	D418	D418-Y421 PolarHBondContact O-N 2.96Å
422	G	97.3	Very high	98.5	Very high	20 Å²	20	43.1 Å²	43.1	21%	0.206	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	18.9	179.7	0	0	0	0	0	114.1	S417 Q420	S417-G422 VanDerWaalsContact O-CA 3.23Å; S417-G422 WeakPolarHBondContact O-CA 3.38Å; S417-G422 PolarHBondContact O-N 3.36Å; Q420-G422 VanDerWaalsContact C-N 3.33Å; Q420-G422 PolarHBondContact O-N 3.38Å
423	K	98.4	Very high	98.3	Very high	119 Å²	119	48.1 Å²	48.1	52%	0.517	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	138.6	175.5	-178	-174	165.6	-161.5	0	110.2	S417 Q420 I425	S417-K423 PolarHBondContact N-O 3.49Å; S417-K423 PolarHBondContact O-N 3.39Å; Q420-K423 HydrophobicContact CB-CB 3.9Å; Q420-K423 HydrophobicContact CB-CD 4.35Å; Q420-K423 VanDerWaalsContact O-CB 3.29Å; Q420-K423 WeakPolarHBondContact O-CB 3.31Å; Q420-K423 PolarHBondContact O-N 2.8Å; Q420-K423 VanDerWaalsContact OE1-NZ 3.13Å; K423-I425 PolarHBondContact O-N 2.97Å
424	V	98.8	Very high	98.2	Very high	54 Å²	54	53.2 Å²	53.2	33%	0.327	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	118	167.4	175.7	0	0	0	0	109.1	E414 Q415 D426	E414-V424 HydrophobicContact CB-CG1 3.81Å; E414-V424 HydrophobicContact CB-CG2 4.37Å; E414-V424 HydrophobicContact CG-CG2 4.31Å; Q415-V424 WeakPolarHBondContact O-CA 3.42Å; V424-D426 WeakPolarHBondContact CG1-O 3.25Å
425	I	98.8	Very high	98.1	Very high	30 Å²	30	53 Å²	53	15%	0.154	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-19.5	-176.9	58.2	162	0	0	0	113.1	F393 S395 D397 Q415 K423	F393-I425 HydrophobicContact CE1-CD1 4.39Å; F393-I425 WeakPolarHBondContact CZ-O 3.32Å; S395-I425 VanDerWaalsContact OG-CD1 3.22Å; S395-I425 WeakPolarHBondContact OG-CD1 3.47Å; D397-I425 HydrophobicContact CB-CD1 4.39Å; Q415-I425 HydrophobicContact CB-CG1 4.08Å; Q415-I425 HydrophobicContact CG-CD1 3.92Å; Q415-I425 HydrophobicContact CG-CG1 3.81Å; Q415-I425 PolarHBondContact O-N 3.46Å; K423-I425 PolarHBondContact O-N 2.97Å
426	D	98.8	Very high	98	Very high	17 Å²	17	53.2 Å²	53.2	9%	0.091	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	151.5	174.6	-169.3	26.5	0	0	0	110.3	Y340 R342 F393 E414 Q415 V424	Y340-D426 HydrophobicContact CE1-CB 3.79Å; Y340-D426 WeakPolarHBondContact CE1-OD2 3.36Å; Y340-D426 PolarHBondContact OH-OD2 2.91Å; Y340-D426 VanDerWaalsContact OH-OD2 3.1Å; R342-D426 IonicContact CZ-OD1 2.64Å; R342-D426 IonicContact CZ-OD2 2.89Å; R342-D426 VanDerWaalsContact CZ-OD2 3.26Å; R342-D426 IonicContact NE-OD1 3.45Å; R342-D426 IonicContact NE-OD2 2.65Å; R342-D426 PolarHBondContact NE-OD2 2.89Å; R342-D426 VanDerWaalsContact NH2-CG 3.26Å; R342-D426 IonicContact NH2-OD1 3.84Å; R342-D426 PolarHBondContact NH2-OD1 2.88Å; R342-D426 IonicContact NH2-OD2 3.65Å; R342-D426 PolarHBondContact NH2-OD2 3.34Å; F393-D426 HydrophobicContact CD1-CB 3.83Å; F393-D426 HydrophobicContact CD2-CB 4.46Å; F393-D426 HydrophobicContact CE1-CB 3.74Å; F393-D426 HydrophobicContact CE2-CB 4.37Å; F393-D426 HydrophobicContact CG-CB 4.19Å; F393-D426 HydrophobicContact CZ-CB 4.02Å; E414-D426 CarbonylContact C-O 3.58Å; E414-D426 VanDerWaalsContact CA-O 3.3Å; E414-D426 WeakPolarHBondContact CA-O 3.49Å; Q415-D426 HydrophobicContact CB-CB 4.21Å; Q415-D426 PolarHBondContact N-O 2.94Å; V424-D426 WeakPolarHBondContact CG1-O 3.25Å
427	S	98.5	Very high	97.8	Very high	58 Å²	58	56.9 Å²	56.9	41%	0.406	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	143.9	177.8	64.9	0	0	0	0	111.6	Y412 L413	Y412-S427 WeakPolarHBondContact OH-CB 3.37Å; L413-S427 CarbonylContact O-C 3.56Å; L413-S427 VanDerWaalsContact O-CA 3.23Å; L413-S427 WeakPolarHBondContact O-CA 3.46Å
428	I	98.5	Very high	97.5	Very high	12 Å²	12	59.8 Å²	59.8	6%	0.062	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	149	174.5	56.9	163.5	0	0	0	112.6	R342 Y360 V367 I369 Y412 L413 V430	R342-I428 VanDerWaalsContact NE-CG2 3.32Å; Y360-I428 HydrophobicContact CD1-CD1 4.36Å; Y360-I428 HydrophobicContact CD2-CB 4.46Å; Y360-I428 HydrophobicContact CD2-CG2 4.01Å; Y360-I428 HydrophobicContact CE1-CD1 4.35Å; Y360-I428 HydrophobicContact CE2-CG2 3.84Å; V367-I428 HydrophobicContact CG1-CD1 4.28Å; I369-I428 HydrophobicContact CD1-CD1 4.21Å; Y412-I428 WeakPolarHBondContact CA-O 3.41Å; Y412-I428 VanDerWaalsContact CD2-O 3.3Å; Y412-I428 WeakPolarHBondContact CD2-O 3.49Å; L413-I428 HydrophobicContact CB-CG1 3.92Å; L413-I428 HydrophobicContact CD1-CD1 3.78Å; L413-I428 HydrophobicContact CD1-CG1 3.97Å; L413-I428 PolarHBondContact N-O 3.18Å; L413-I428 PolarHBondContact O-N 3.26Å; I428-V430 HydrophobicContact CD1-CG2 3.85Å
429	W	98.6	Very high	97.3	Very high	117 Å²	117	59.6 Å²	59.6	44%	0.443	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	121.3	158.5	-73.9	90.8	0	0	0	108.5	Y360 H406 H410 L411 Y412 V431	Y360-W429 VanDerWaalsContact CB-O 3.29Å; Y360-W429 WeakPolarHBondContact CB-O 3.25Å; H406-W429 HydrophobicContact CB-CZ3 4.26Å; H406-W429 AromaticContact CD2-CH2 3.33Å; H406-W429 WeakPolarHBondContact CD2-CH2 3.43Å; H406-W429 AromaticContact CD2-CZ3 3.22Å; H406-W429 WeakPolarHBondContact CD2-CZ3 3.39Å; H406-W429 AromaticContact CE1-CH2 3.72Å; H406-W429 AromaticContact CG-CH2 3.78Å; H406-W429 AromaticContact CG-CZ3 3.72Å; H406-W429 AromaticContact NE2-CH2 3.27Å; H406-W429 VanDerWaalsContact NE2-CH2 3.27Å; H406-W429 WeakPolarHBondContact NE2-CH2 3.49Å; H406-W429 AromaticContact NE2-CZ3 3.7Å; H410-W429 HydrophobicContact CB-CE3 3.97Å; H410-W429 HydrophobicContact CB-CZ3 3.79Å; L411-W429 CarbonylContact O-C 3.43Å; L411-W429 WeakPolarHBondContact O-CA 3.17Å; Y412-W429 AromaticContact CD2-CD1 3.84Å; Y412-W429 AromaticContact CD2-CD2 3.82Å; Y412-W429 HydrophobicContact CD2-CD2 3.82Å; Y412-W429 AromaticContact CD2-CE2 3.46Å; Y412-W429 VanDerWaalsContact CD2-CE2 3.46Å; Y412-W429 HydrophobicContact CD2-CE3 4.48Å; Y412-W429 HydrophobicContact CD2-CG 4.07Å; Y412-W429 AromaticContact CD2-CZ2 3.87Å; Y412-W429 HydrophobicContact CD2-CZ2 3.87Å; Y412-W429 AromaticContact CD2-NE1 3.45Å; Y412-W429 AromaticContact CE2-NE1 3.78Å; Y412-W429 HydrophobicContact CG-CD2 4.41Å; Y412-W429 HydrophobicContact CG-CH2 4.42Å; Y412-W429 HydrophobicContact CG-CZ2 4.12Å; W429-V431 HydrophobicContact CB-CG2 4.11Å
430	V	98.8	Very high	97	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	115.4	162.6	-172.9	0	0	0	0	106.5	W280 V367 L411 L413 I428 K432	W280-V430 HydrophobicContact CH2-CB 4.24Å; W280-V430 HydrophobicContact CH2-CG1 3.97Å; W280-V430 WeakPolarHBondContact CH2-O 3.33Å; W280-V430 HydrophobicContact CZ3-CB 4.39Å; W280-V430 HydrophobicContact CZ3-CG1 3.89Å; V367-V430 HydrophobicContact CG2-CG1 4.29Å; V367-V430 HydrophobicContact CG2-CG2 4.25Å; L411-V430 HydrophobicContact CB-CB 4.47Å; L411-V430 HydrophobicContact CD2-CG2 4.5Å; L411-V430 PolarHBondContact N-O 2.93Å; L411-V430 PolarHBondContact O-N 2.79Å; L413-V430 HydrophobicContact CD1-CG2 4.23Å; I428-V430 HydrophobicContact CD1-CG2 3.85Å; V430-K432 HydrophobicContact CG1-CG 4.44Å
431	V	98.8	Very high	96.5	Very high	19 Å²	19	61.6 Å²	61.6	12%	0.115	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.5	-179.1	-175.5	0	0	0	0	108.7	Y360 V361 N362 T409 W429	Y360-V431 PolarHBondContact O-N 3.39Å; V361-V431 CarbonylContact C-O 3.4Å; V361-V431 WeakPolarHBondContact CA-O 3.43Å; V361-V431 HydrophobicContact CB-CB 4.42Å; V361-V431 HydrophobicContact CG1-CB 4.26Å; V361-V431 HydrophobicContact CG1-CG1 4.43Å; V361-V431 HydrophobicContact CG2-CB 4.06Å; V361-V431 HydrophobicContact CG2-CG2 4.21Å; N362-V431 PolarHBondContact N-O 3.16Å; T409-V431 CarbonylContact O-C 3.54Å; T409-V431 VanDerWaalsContact O-CA 3.26Å; T409-V431 WeakPolarHBondContact O-CA 3.5Å; W429-V431 HydrophobicContact CB-CG2 4.11Å
432	K	97.8	Very high	96.5	Very high	1 Å²	1	54.1 Å²	54.1	0%	0.004	27%	0.27	C	S	.	.			trans	-132.7	115.5	177.6	-68.1	-165.4	73.6	167.9	0	110.1	W280 D330 N362 T409 V430 K434 H435 W440	W280-K432 HydrophobicContact CH2-CB 4.19Å; W280-K432 HydrophobicContact CH2-CD 4.49Å; W280-K432 HydrophobicContact CH2-CG 4.13Å; W280-K432 HydrophobicContact CZ3-CD 4.13Å; W280-K432 HydrophobicContact CZ3-CG 4.26Å; D330-K432 HydrophobicContact CB-CD 4.25Å; D330-K432 WeakPolarHBondContact OD1-CD 3.33Å; D330-K432 VanDerWaalsContact OD1-CE 3.25Å; D330-K432 WeakPolarHBondContact OD1-CE 3.16Å; D330-K432 IonicContact OD1-NZ 3.84Å; D330-K432 PolarHBondContact OD1-NZ 2.9Å; N362-K432 WeakPolarHBondContact OD1-CA 3.38Å; T409-K432 WeakPolarHBondContact CA-O 3.34Å; T409-K432 WeakPolarHBondContact CB-O 3.37Å; T409-K432 VanDerWaalsContact CG2-O 3.28Å; T409-K432 WeakPolarHBondContact CG2-O 3.44Å; T409-K432 PolarHBondContact O-N 2.91Å; V430-K432 HydrophobicContact CG1-CG 4.44Å; K432-K434 VanDerWaalsContact C-N 3.33Å; K432-K434 VanDerWaalsContact CE-O 3.25Å; K432-K434 WeakPolarHBondContact CE-O 3.3Å; K432-H435 VanDerWaalsContact CB-CE1 3.47Å; K432-H435 WeakPolarHBondContact CB-CE1 3.32Å; K432-H435 WeakPolarHBondContact CB-NE2 3.28Å; K432-H435 PolarHBondContact O-NE2 3.11Å; K432-W440 VanDerWaalsContact NZ-CZ3 3.35Å
433	E	96.4	Very high	96.4	Very high	153 Å²	153	55.8 Å²	55.8	72%	0.715	27%	0.274	S	S	*	.	S	Bend	trans	-79.9	-24.3	171.9	-64.3	178	-179.4	0	0	111.4	N362	N362-E433 PolarHBondContact OD1-N 3.13Å
434	K	95.8	Very high	96.3	Very high	108 Å²	108	52.3 Å²	52.3	47%	0.47	26%	0.26	S	S	.	.	S	Bend	trans	-136.4	139.9	178.9	-168.7	-179.4	-179.6	-161	0	109.5	K432 S438 A439	K432-K434 VanDerWaalsContact C-N 3.33Å; K432-K434 VanDerWaalsContact CE-O 3.25Å; K432-K434 WeakPolarHBondContact CE-O 3.3Å; K434-S438 WeakPolarHBondContact CE-OG 3.4Å; K434-S438 PolarHBondContact NZ-O 3.31Å; K434-S438 PolarHBondContact NZ-OG 2.92Å; K434-A439 HydrophobicContact CB-CB 4.16Å; K434-A439 HydrophobicContact CG-CB 4.19Å; K434-A439 WeakPolarHBondContact O-CB 3.24Å
435	H	97.3	Very high	96.2	Very high	26 Å²	26	52.2 Å²	52.2	12%	0.12	26%	0.256	C	S	.	.			trans	-117	168.6	-178.8	-70.5	-97.8	0	0	0	111.9	P279 W280 D330 T408 K432	P279-H435 HydrophobicContact CB-CB 4.19Å; P279-H435 VanDerWaalsContact CB-CD2 3.48Å; P279-H435 WeakPolarHBondContact CB-CD2 3.44Å; P279-H435 WeakPolarHBondContact O-CB 3.15Å; P279-H435 PolarHBondContact O-CE1 3.4Å; P279-H435 PolarHBondContact O-ND1 3.1Å; W280-H435 AromaticContact CD2-CE1 3.7Å; W280-H435 AromaticContact CE2-CE1 3.81Å; W280-H435 AromaticContact CE3-CE1 3.75Å; W280-H435 AromaticContact CZ2-CE1 3.99Å; W280-H435 AromaticContact CZ3-CE1 3.92Å; D330-H435 IonicContact OD1-CE1 3.89Å; D330-H435 IonicContact OD1-CG 3.61Å; D330-H435 IonicContact OD1-ND1 3.31Å; D330-H435 PolarHBondContact OD1-ND1 3.35Å; D330-H435 IonicContact OD2-ND1 3.24Å; D330-H435 PolarHBondContact OD2-ND1 3.06Å; T408-H435 PolarHBondContact O-NE2 2.96Å; K432-H435 VanDerWaalsContact CB-CE1 3.47Å; K432-H435 WeakPolarHBondContact CB-CE1 3.32Å; K432-H435 WeakPolarHBondContact CB-NE2 3.28Å; K432-H435 PolarHBondContact O-NE2 3.11Å
436	G	95.4	Very high	96	Very high	5 Å²	5	53.6 Å²	53.6	5%	0.052	26%	0.262	C	S	.	.	S	Bend	trans	76.6	178.2	-176.7	0	0	0	0	0	113.8	R275 S438 A439	R275-G436 VanDerWaalsContact NH2-N 3.17Å; G436-S438 PolarHBondContact O-N 3.04Å; G436-S438 VanDerWaalsContact O-N 3.1Å; G436-A439 WeakPolarHBondContact O-CB 3.16Å; G436-A439 PolarHBondContact O-N 2.91Å
437	F	94.5	Very high	95.9	Very high	76 Å²	76	56.1 Å²	56.1	33%	0.333	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-53.2	-36.5	-174.3	-175.5	-112.8	0	0	0	114.5	Y325 L326 A439 W440 F441	Y325-F437 HydrophobicContact CD1-CE2 4.12Å; Y325-F437 HydrophobicContact CE1-CD2 4.45Å; Y325-F437 AromaticContact CE1-CE2 3.76Å; Y325-F437 HydrophobicContact CE1-CE2 3.76Å; L326-F437 HydrophobicContact CD2-CD2 4.24Å; L326-F437 HydrophobicContact CD2-CE2 3.69Å; L326-F437 HydrophobicContact CD2-CZ 4.02Å; L326-F437 VanDerWaalsContact O-CB 3.32Å; L326-F437 WeakPolarHBondContact O-CB 3.08Å; F437-A439 PolarHBondContact O-N 3.06Å; F437-A439 VanDerWaalsContact O-N 3.16Å; F437-W440 AromaticContact CD2-CD1 3.36Å; F437-W440 AromaticContact CD2-NE1 3.71Å; F437-W440 AromaticContact CE2-CD1 3.82Å; F437-W440 WeakPolarHBondContact O-CB 3.38Å; F437-W440 VanDerWaalsContact O-CG 3.23Å; F437-W440 PolarHBondContact O-N 2.9Å; F437-W440 VanDerWaalsContact O-N 3.13Å; F437-F441 AromaticContact CD1-CE2 3.95Å; F437-F441 HydrophobicContact CD1-CE2 3.95Å; F437-F441 AromaticContact CE1-CE2 3.5Å; F437-F441 HydrophobicContact CE1-CE2 3.5Å; F437-F441 AromaticContact CE1-CZ 3.89Å; F437-F441 HydrophobicContact CE1-CZ 3.89Å; F437-F441 HydrophobicContact CE2-CE2 4.22Å; F437-F441 HydrophobicContact CE2-CZ 4.35Å; F437-F441 HydrophobicContact CG-CE2 4.49Å; F437-F441 AromaticContact CZ-CE2 3.65Å; F437-F441 HydrophobicContact CZ-CE2 3.65Å; F437-F441 AromaticContact CZ-CZ 3.66Å; F437-F441 HydrophobicContact CZ-CZ 3.66Å
438	S	94.3	Very high	95.7	Very high	61 Å²	61	55.9 Å²	55.9	43%	0.427	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-71.6	-5.5	-179.6	72.5	0	0	0	0	114	K434 G436 W440	K434-S438 WeakPolarHBondContact CE-OG 3.4Å; K434-S438 PolarHBondContact NZ-O 3.31Å; K434-S438 PolarHBondContact NZ-OG 2.92Å; G436-S438 PolarHBondContact O-N 3.04Å; G436-S438 VanDerWaalsContact O-N 3.1Å; S438-W440 VanDerWaalsContact C-N 3.31Å
439	A	93.1	Very high	95.4	Very high	17 Å²	17	59.3 Å²	59.3	14%	0.14	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-79	-15.1	171.1	0	0	0	0	0	112.9	K434 G436 F437 F441	K434-A439 HydrophobicContact CB-CB 4.16Å; K434-A439 HydrophobicContact CG-CB 4.19Å; K434-A439 WeakPolarHBondContact O-CB 3.24Å; G436-A439 WeakPolarHBondContact O-CB 3.16Å; G436-A439 PolarHBondContact O-N 2.91Å; F437-A439 PolarHBondContact O-N 3.06Å; F437-A439 VanDerWaalsContact O-N 3.16Å; A439-F441 VanDerWaalsContact C-N 3.26Å; A439-F441 PolarHBondContact O-N 3.02Å
440	W	92.6	Very high	95.2	Very high	8 Å²	8	54.5 Å²	54.5	3%	0.03	27%	0.266	C	S	.	.			trans	-75.4	-12.2	179.9	-50.6	150.4	0	0	0	113.9	Y325 V329 P363 K364 P366 K432 F437 S438	Y325-W440 AromaticContact CE2-CD1 3.97Å; Y325-W440 HydrophobicContact CE2-CG 4.34Å; Y325-W440 AromaticContact CE2-NE1 3.93Å; Y325-W440 AromaticContact CZ-CD1 3.7Å; Y325-W440 PolarHBondContact O-NE1 2.86Å; V329-W440 WeakPolarHBondContact O-CH2 3.01Å; P363-W440 VanDerWaalsContact O-CE3 3.25Å; P363-W440 WeakPolarHBondContact O-CZ3 3.33Å; K364-W440 VanDerWaalsContact CA-CE3 3.49Å; K364-W440 VanDerWaalsContact CD-O 3.25Å; K364-W440 WeakPolarHBondContact CD-O 3.38Å; K364-W440 WeakPolarHBondContact CG-O 3.47Å; P366-W440 HydrophobicContact CG-CZ2 4.32Å; K432-W440 VanDerWaalsContact NZ-CZ3 3.35Å; F437-W440 AromaticContact CD2-CD1 3.36Å; F437-W440 AromaticContact CD2-NE1 3.71Å; F437-W440 AromaticContact CE2-CD1 3.82Å; F437-W440 WeakPolarHBondContact O-CB 3.38Å; F437-W440 VanDerWaalsContact O-CG 3.23Å; F437-W440 PolarHBondContact O-N 2.9Å; F437-W440 VanDerWaalsContact O-N 3.13Å; S438-W440 VanDerWaalsContact C-N 3.31Å
441	F	87.7	Confident	94.9	Very high	179 Å²	179	59.4 Å²	59.4	79%	0.785	29%	0.29	S	S	*	.			trans	-106.4	0	-170.6	-60.3	-77.8	0	0	0	112.8	K364 F437 A439	K364-F441 PolarHBondContact NZ-OXT 3.01Å; F437-F441 AromaticContact CD1-CE2 3.95Å; F437-F441 HydrophobicContact CD1-CE2 3.95Å; F437-F441 AromaticContact CE1-CE2 3.5Å; F437-F441 HydrophobicContact CE1-CE2 3.5Å; F437-F441 AromaticContact CE1-CZ 3.89Å; F437-F441 HydrophobicContact CE1-CZ 3.89Å; F437-F441 HydrophobicContact CE2-CE2 4.22Å; F437-F441 HydrophobicContact CE2-CZ 4.35Å; F437-F441 HydrophobicContact CG-CE2 4.49Å; F437-F441 AromaticContact CZ-CE2 3.65Å; F437-F441 HydrophobicContact CZ-CE2 3.65Å; F437-F441 AromaticContact CZ-CZ 3.66Å; F437-F441 HydrophobicContact CZ-CZ 3.66Å; A439-F441 VanDerWaalsContact C-N 3.26Å; A439-F441 PolarHBondContact O-N 3.02Å

Retrieved 441 of 441 residues in 119.8 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).