A0A3Q0KBZ6_SCHMA Loading...

Hexosyltransferase

AlphaFold DB (A0A5K4E9K7), UniProt , Accession A0A3Q0KBZ6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 411 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	40.4	Very low	248 Å²	248	165.7 Å²	165.7	100%	1.222	83%	0.832	S	S	*	*				0	107.3	0	-77.4	171.3	140.2	0	0	108.5
2	S	37.5	Very low	41.9	Very low	118 Å²	118	157 Å²	157	83%	0.825	80%	0.798	S	S	*	*			trans	-152.1	104	171.9	169.3	0	0	0	0	107.1
3	H	37.8	Very low	43.8	Very low	179 Å²	179	154.7 Å²	154.7	83%	0.829	80%	0.796	S	S	*	*			trans	-63.4	127.4	-170.8	-88.8	-83.2	0	0	0	112.7	R5	H3-R5 PolarHBondContact O-N 3.27Å; H3-R5 VanDerWaalsContact O-N 3.1Å
4	N	38.2	Very low	45.4	Very low	157 Å²	157	151.6 Å²	151.6	84%	0.84	79%	0.787	S	S	*	*			trans	-54.9	107.7	160.5	-80.3	-23	0	0	0	109.7	I6	N4-I6 PolarHBondContact O-N 3.28Å
5	R	39.6	Very low	47.1	Very low	235 Å²	235	146.2 Å²	146.2	89%	0.887	76%	0.764	S	S	*	*			trans	-79.8	104	168.1	-75.6	-174.1	175.3	-163.7	-0.3	108.5	H3 L7	H3-R5 PolarHBondContact O-N 3.27Å; H3-R5 VanDerWaalsContact O-N 3.1Å; R5-L7 PolarHBondContact O-N 3.23Å; R5-L7 VanDerWaalsContact O-N 3.12Å
6	I	41	Very low	48.6	Very low	147 Å²	147	141.1 Å²	141.1	75%	0.754	74%	0.741	S	S	*	*			trans	-63.3	108.4	166.7	-64.9	168.5	0	0	0	107.3	N4 T8	N4-I6 PolarHBondContact O-N 3.28Å; I6-T8 HydrophobicContact CG2-CG2 4.27Å; I6-T8 PolarHBondContact O-N 2.76Å
7	L	38.8	Very low	49.7	Very low	164 Å²	164	136.1 Å²	136.1	86%	0.859	72%	0.724	S	S	*	*			trans	-69.6	93.5	172.1	-133.9	87.4	0	0	0	107.6	R5 C9	R5-L7 PolarHBondContact O-N 3.23Å; R5-L7 VanDerWaalsContact O-N 3.12Å; L7-C9 PolarHBondContact O-N 3.12Å
8	T	40	Very low	50.9	Low	111 Å²	111	131.6 Å²	131.6	68%	0.681	71%	0.709	S	S	*	*			trans	-74.5	106.1	168.9	40.3	0	0	0	0	107.9	I6 R10	I6-T8 HydrophobicContact CG2-CG2 4.27Å; I6-T8 PolarHBondContact O-N 2.76Å; T8-R10 VanDerWaalsContact C-N 3.32Å; T8-R10 PolarHBondContact O-N 2.85Å
9	C	42.5	Very low	52.1	Low	110 Å²	110	129.1 Å²	129.1	74%	0.743	70%	0.699	S	S	*	*			trans	-66.2	89.2	175.8	-151	0	0	0	0	108.8	L7 L11	L7-C9 PolarHBondContact O-N 3.12Å; C9-L11 VanDerWaalsContact C-N 3.28Å; C9-L11 PolarHBondContact O-N 3.05Å
10	R	44.6	Very low	53.1	Low	234 Å²	234	128.2 Å²	128.2	88%	0.883	69%	0.693	S	S	*	*			trans	-74.7	83.9	168.7	-74.9	-173.2	175.4	-168.2	-1.4	108.1	T8 S12	T8-R10 VanDerWaalsContact C-N 3.32Å; T8-R10 PolarHBondContact O-N 2.85Å; R10-S12 PolarHBondContact O-N 3.1Å
11	L	49.8	Very low	53.9	Low	120 Å²	120	129 Å²	129	63%	0.628	69%	0.69	S	S	*	*			trans	-59.7	123.7	161.6	-102	86.7	0	0	0	107.7	C9	C9-L11 VanDerWaalsContact C-N 3.28Å; C9-L11 PolarHBondContact O-N 3.05Å
12	S	58.2	Low	55.7	Low	61 Å²	61	120.9 Å²	120.9	43%	0.427	66%	0.655	S	S	.	*			trans	-63.4	144	-179.9	87	0	0	0	0	110.1	R10 V14 T15 V16	R10-S12 PolarHBondContact O-N 3.1Å; S12-V14 PolarHBondContact O-N 3.29Å; S12-V14 VanDerWaalsContact O-N 3.1Å; S12-V14 PolarHBondContact OG-N 3.49Å; S12-T15 PolarHBondContact N-OG1 2.95Å; S12-T15 PolarHBondContact O-N 3.47Å; S12-T15 PolarHBondContact O-OG1 2.98Å; S12-T15 PolarHBondContact OG-N 3.28Å; S12-T15 PolarHBondContact OG-OG1 3.07Å; S12-V16 PolarHBondContact O-N 2.89Å
13	V	66.9	Low	57.2	Low	127 Å²	127	117.1 Å²	117.1	77%	0.77	63%	0.631	S	S	*	*	H	α-helix	trans	-53.6	-31	175.7	177.5	0	0	0	0	111.5	V16 A17	V13-V16 PolarHBondContact O-N 2.86Å; V13-A17 PolarHBondContact O-N 3.19Å
14	V	65.9	Low	58.7	Low	112 Å²	112	112 Å²	112	68%	0.679	61%	0.612	S	S	*	*	H	α-helix	trans	-64.1	-43.3	178.4	-177.6	0	0	0	0	111.8	S12 V16 A17 A18	S12-V14 PolarHBondContact O-N 3.29Å; S12-V14 VanDerWaalsContact O-N 3.1Å; S12-V14 PolarHBondContact OG-N 3.49Å; V14-V16 VanDerWaalsContact C-N 3.34Å; V14-V16 PolarHBondContact O-N 3.12Å; V14-A17 PolarHBondContact O-N 2.64Å; V14-A18 WeakPolarHBondContact O-CB 3.35Å; V14-A18 PolarHBondContact O-N 2.83Å
15	T	70.5	Confident	60.3	Low	70 Å²	70	109.7 Å²	109.7	43%	0.429	60%	0.6	S	S	.	*	H	α-helix	trans	-64.4	-37.6	177.4	14	0	0	0	0	112.3	S12 T19	S12-T15 PolarHBondContact N-OG1 2.95Å; S12-T15 PolarHBondContact O-N 3.47Å; S12-T15 PolarHBondContact O-OG1 2.98Å; S12-T15 PolarHBondContact OG-N 3.28Å; S12-T15 PolarHBondContact OG-OG1 3.07Å; T15-T19 WeakPolarHBondContact O-CG2 3.44Å; T15-T19 PolarHBondContact O-N 3.3Å; T15-T19 VanDerWaalsContact O-N 3.12Å; T15-T19 PolarHBondContact O-OG1 2.93Å
16	V	71.5	Confident	61.9	Low	65 Å²	65	104.1 Å²	104.1	39%	0.394	59%	0.586	S	S	.	*	H	α-helix	trans	-70.7	-39	177.4	-179.8	0	0	0	0	111.3	S12 V13 V14 T19 L20	S12-V16 PolarHBondContact O-N 2.89Å; V13-V16 PolarHBondContact O-N 2.86Å; V14-V16 VanDerWaalsContact C-N 3.34Å; V14-V16 PolarHBondContact O-N 3.12Å; V16-T19 WeakPolarHBondContact CA-OG1 3.48Å; V16-T19 PolarHBondContact O-OG1 2.87Å; V16-L20 HydrophobicContact CG1-CD1 3.88Å; V16-L20 WeakPolarHBondContact O-CB 3.34Å; V16-L20 WeakPolarHBondContact O-CD1 3.24Å; V16-L20 WeakPolarHBondContact O-CG 3.42Å; V16-L20 PolarHBondContact O-N 2.82Å
17	A	66.9	Low	63	Low	56 Å²	56	101.8 Å²	101.8	46%	0.463	58%	0.575	S	S	.	*	H	α-helix	trans	-66.6	-42.2	176.8	0	0	0	0	0	112.1	V13 V14 L20 F21	V13-A17 PolarHBondContact O-N 3.19Å; V14-A17 PolarHBondContact O-N 2.64Å; A17-L20 PolarHBondContact O-N 3.45Å; A17-F21 WeakPolarHBondContact O-CB 3.33Å; A17-F21 PolarHBondContact O-N 3.33Å
18	A	71.3	Confident	64.1	Low	54 Å²	54	99.6 Å²	99.6	45%	0.446	56%	0.56	S	S	.	*	H	α-helix	trans	-66	-39.1	178	0	0	0	0	0	112.5	V14 F21 T22	V14-A18 WeakPolarHBondContact O-CB 3.35Å; V14-A18 PolarHBondContact O-N 2.83Å; A18-F21 PolarHBondContact O-N 3.11Å; A18-T22 WeakPolarHBondContact O-CB 3.47Å; A18-T22 WeakPolarHBondContact O-CG2 3.49Å; A18-T22 PolarHBondContact O-N 3.48Å; A18-T22 PolarHBondContact O-OG1 2.8Å
19	T	74.4	Confident	65	Low	85 Å²	85	97.2 Å²	97.2	52%	0.521	55%	0.547	S	S	.	.	H	α-helix	trans	-69.7	-37.6	175.7	52.3	0	0	0	0	112.2	T15 V16 T22 A23	T15-T19 WeakPolarHBondContact O-CG2 3.44Å; T15-T19 PolarHBondContact O-N 3.3Å; T15-T19 VanDerWaalsContact O-N 3.12Å; T15-T19 PolarHBondContact O-OG1 2.93Å; V16-T19 WeakPolarHBondContact CA-OG1 3.48Å; V16-T19 PolarHBondContact O-OG1 2.87Å; T19-T22 WeakPolarHBondContact CA-OG1 3.45Å; T19-T22 PolarHBondContact O-OG1 2.6Å; T19-T22 VanDerWaalsContact O-OG1 3.06Å; T19-A23 VanDerWaalsContact O-CB 3.24Å; T19-A23 WeakPolarHBondContact O-CB 3.27Å; T19-A23 PolarHBondContact O-N 3.04Å
20	L	71.8	Confident	66.2	Low	111 Å²	111	96 Å²	96	58%	0.581	54%	0.535	S	S	*	.	H	α-helix	trans	-64.8	-42	173.4	-78.1	163	0	0	0	112.1	V16 A17 A23 T24	V16-L20 HydrophobicContact CG1-CD1 3.88Å; V16-L20 WeakPolarHBondContact O-CB 3.34Å; V16-L20 WeakPolarHBondContact O-CD1 3.24Å; V16-L20 WeakPolarHBondContact O-CG 3.42Å; V16-L20 PolarHBondContact O-N 2.82Å; A17-L20 PolarHBondContact O-N 3.45Å; L20-A23 PolarHBondContact O-N 3.01Å; L20-T24 WeakPolarHBondContact O-CG2 3.31Å; L20-T24 PolarHBondContact O-N 3.02Å; L20-T24 PolarHBondContact O-OG1 3.16Å
21	F	70.4	Confident	67	Low	144 Å²	144	89.3 Å²	89.3	63%	0.632	52%	0.516	S	S	*	.	H	α-helix	trans	-69.3	-37.9	-179.4	-157.1	-93	0	0	0	112.8	A17 A18 T24 L25	A17-F21 WeakPolarHBondContact O-CB 3.33Å; A17-F21 PolarHBondContact O-N 3.33Å; A18-F21 PolarHBondContact O-N 3.11Å; F21-T24 PolarHBondContact O-OG1 2.67Å; F21-L25 HydrophobicContact CD1-CD1 3.81Å; F21-L25 HydrophobicContact CE1-CD1 3.84Å; F21-L25 PolarHBondContact O-N 3.23Å
22	T	71.6	Confident	67.4	Low	78 Å²	78	87.7 Å²	87.7	48%	0.479	51%	0.507	S	S	.	.	H	α-helix	trans	-70.8	-37.5	174.2	48.6	0	0	0	0	111.8	A18 T19 L25 I26	A18-T22 WeakPolarHBondContact O-CB 3.47Å; A18-T22 WeakPolarHBondContact O-CG2 3.49Å; A18-T22 PolarHBondContact O-N 3.48Å; A18-T22 PolarHBondContact O-OG1 2.8Å; T19-T22 WeakPolarHBondContact CA-OG1 3.45Å; T19-T22 PolarHBondContact O-OG1 2.6Å; T19-T22 VanDerWaalsContact O-OG1 3.06Å; T22-L25 PolarHBondContact O-N 3.14Å; T22-I26 WeakPolarHBondContact O-CG1 3.39Å; T22-I26 PolarHBondContact O-N 3.02Å
23	A	70	Confident	67.7	Low	39 Å²	39	90.4 Å²	90.4	32%	0.322	52%	0.516	S	S	.	.	H	α-helix	trans	-63.5	-40.6	175.5	0	0	0	0	0	112.3	T19 L20 I26 L27	T19-A23 VanDerWaalsContact O-CB 3.24Å; T19-A23 WeakPolarHBondContact O-CB 3.27Å; T19-A23 PolarHBondContact O-N 3.04Å; L20-A23 PolarHBondContact O-N 3.01Å; A23-I26 PolarHBondContact O-N 3.12Å; A23-L27 HydrophobicContact CB-CD1 4.32Å; A23-L27 VanDerWaalsContact O-CB 3.26Å; A23-L27 WeakPolarHBondContact O-CB 3.47Å; A23-L27 WeakPolarHBondContact O-CD1 3.47Å; A23-L27 WeakPolarHBondContact O-CG 3.38Å; A23-L27 PolarHBondContact O-N 3.39Å
24	T	69.8	Low	67.1	Low	72 Å²	72	92.4 Å²	92.4	44%	0.442	51%	0.51	S	S	.	.	H	α-helix	trans	-67.4	-39.1	177.8	50.6	0	0	0	0	112.7	L20 F21 I26 Q28	L20-T24 WeakPolarHBondContact O-CG2 3.31Å; L20-T24 PolarHBondContact O-N 3.02Å; L20-T24 PolarHBondContact O-OG1 3.16Å; F21-T24 PolarHBondContact O-OG1 2.67Å; T24-I26 VanDerWaalsContact C-N 3.26Å; T24-I26 PolarHBondContact O-N 3.1Å; T24-Q28 PolarHBondContact O-N 3.29Å
25	L	70.9	Confident	66.2	Low	109 Å²	109	91.1 Å²	91.1	57%	0.571	50%	0.5	S	S	*	.	H	α-helix	trans	-61.9	-30.7	175.9	-85.7	161.4	0	0	0	113.2	F21 T22 P29	F21-L25 HydrophobicContact CD1-CD1 3.81Å; F21-L25 HydrophobicContact CE1-CD1 3.84Å; F21-L25 PolarHBondContact O-N 3.23Å; T22-L25 PolarHBondContact O-N 3.14Å; L25-P29 WeakPolarHBondContact O-CD 3.44Å; L25-P29 VanDerWaalsContact O-CG 3.31Å; L25-P29 WeakPolarHBondContact O-CG 3.42Å
26	I	72.5	Confident	65.4	Low	117 Å²	117	93.5 Å²	93.5	60%	0.6	50%	0.502	S	S	*	.	H	α-helix	trans	-91	-39.2	-180	-61	169.3	0	0	0	111.6	T22 A23 T24 P29 V30	T22-I26 WeakPolarHBondContact O-CG1 3.39Å; T22-I26 PolarHBondContact O-N 3.02Å; A23-I26 PolarHBondContact O-N 3.12Å; T24-I26 VanDerWaalsContact C-N 3.26Å; T24-I26 PolarHBondContact O-N 3.1Å; I26-P29 WeakPolarHBondContact O-CD 3.28Å; I26-V30 WeakPolarHBondContact O-CG2 3.33Å; I26-V30 PolarHBondContact O-N 3.46Å
27	L	64.6	Low	64.3	Low	99 Å²	99	92.8 Å²	92.8	52%	0.518	50%	0.5	S	S	.	.	H	α-helix	trans	-70.5	-34.7	-176.2	-81.3	159.4	0	0	0	113	A23 V30 I31	A23-L27 HydrophobicContact CB-CD1 4.32Å; A23-L27 VanDerWaalsContact O-CB 3.26Å; A23-L27 WeakPolarHBondContact O-CB 3.47Å; A23-L27 WeakPolarHBondContact O-CD1 3.47Å; A23-L27 WeakPolarHBondContact O-CG 3.38Å; A23-L27 PolarHBondContact O-N 3.39Å; L27-V30 PolarHBondContact O-N 2.96Å; L27-I31 VanDerWaalsContact O-CG1 3.29Å; L27-I31 WeakPolarHBondContact O-CG1 3.49Å; L27-I31 PolarHBondContact O-N 2.96Å
28	Q	61.9	Low	63.1	Low	117 Å²	117	92.9 Å²	92.9	55%	0.547	50%	0.497	S	S	.	.	H	α-helix	trans	-64.1	-49.1	-179.2	-77.2	-171.4	-26.1	0	0	113.1	T24 V30 I31 I32	T24-Q28 PolarHBondContact O-N 3.29Å; Q28-V30 VanDerWaalsContact C-N 3.32Å; Q28-V30 PolarHBondContact O-N 3Å; Q28-I31 PolarHBondContact O-N 2.97Å; Q28-I32 WeakPolarHBondContact O-CD1 3.49Å; Q28-I32 WeakPolarHBondContact O-CG1 3.36Å; Q28-I32 PolarHBondContact O-N 3.34Å; Q28-I32 VanDerWaalsContact O-N 3.13Å
29	P	59.8	Low	61.9	Low	62 Å²	62	95.9 Å²	95.9	40%	0.403	50%	0.504	S	S	.	.	H	α-helix	trans	-58.4	-41.5	173.7	-23.4	30.8	0	0	0	113	L25 I26 I32 I33	L25-P29 WeakPolarHBondContact O-CD 3.44Å; L25-P29 VanDerWaalsContact O-CG 3.31Å; L25-P29 WeakPolarHBondContact O-CG 3.42Å; I26-P29 WeakPolarHBondContact O-CD 3.28Å; P29-I32 PolarHBondContact O-N 3.35Å; P29-I33 VanDerWaalsContact O-CG1 3.27Å; P29-I33 WeakPolarHBondContact O-CG1 3.47Å; P29-I33 PolarHBondContact O-N 3.01Å
30	V	66.9	Low	60.6	Low	83 Å²	83	94.7 Å²	94.7	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-66.6	-43.8	-177.6	174.7	0	0	0	0	111.7	I26 L27 Q28 I32 I33 Y34	I26-V30 WeakPolarHBondContact O-CG2 3.33Å; I26-V30 PolarHBondContact O-N 3.46Å; L27-V30 PolarHBondContact O-N 2.96Å; Q28-V30 VanDerWaalsContact C-N 3.32Å; Q28-V30 PolarHBondContact O-N 3Å; V30-I32 VanDerWaalsContact C-N 3.27Å; V30-I32 PolarHBondContact O-N 3.46Å; V30-I33 PolarHBondContact O-N 3.42Å; V30-Y34 WeakPolarHBondContact O-CB 3.21Å; V30-Y34 PolarHBondContact O-N 3.47Å
31	I	60.6	Low	59.3	Low	94 Å²	94	97.6 Å²	97.6	48%	0.482	51%	0.511	S	S	.	.	H	α-helix	trans	-62.7	-37.6	175.9	-67.6	167.5	0	0	0	110.5	L27 Q28 N35	L27-I31 VanDerWaalsContact O-CG1 3.29Å; L27-I31 WeakPolarHBondContact O-CG1 3.49Å; L27-I31 PolarHBondContact O-N 2.96Å; Q28-I31 PolarHBondContact O-N 2.97Å; I31-N35 WeakPolarHBondContact O-CB 3.15Å; I31-N35 PolarHBondContact O-N 3.1Å; I31-N35 PolarHBondContact O-ND2 3.46Å
32	I	59	Low	57.8	Low	86 Å²	86	98 Å²	98	44%	0.441	52%	0.515	S	S	.	.	H	α-helix	trans	-68.2	-46.4	177.7	-66.9	165.7	0	0	0	111	Q28 P29 V30 Y34 N35 Y36	Q28-I32 WeakPolarHBondContact O-CD1 3.49Å; Q28-I32 WeakPolarHBondContact O-CG1 3.36Å; Q28-I32 PolarHBondContact O-N 3.34Å; Q28-I32 VanDerWaalsContact O-N 3.13Å; P29-I32 PolarHBondContact O-N 3.35Å; V30-I32 VanDerWaalsContact C-N 3.27Å; V30-I32 PolarHBondContact O-N 3.46Å; I32-Y34 VanDerWaalsContact C-N 3.33Å; I32-Y34 PolarHBondContact O-N 3.23Å; I32-N35 PolarHBondContact O-N 3.16Å; I32-Y36 WeakPolarHBondContact O-CB 3.42Å; I32-Y36 PolarHBondContact O-N 3.36Å
33	I	64.8	Low	56	Low	118 Å²	118	99.4 Å²	99.4	61%	0.605	52%	0.523	S	S	*	.	H	α-helix	trans	-62.1	-41.8	176.5	-67.6	165.4	0	0	0	110.6	P29 V30 Y36 S37	P29-I33 VanDerWaalsContact O-CG1 3.27Å; P29-I33 WeakPolarHBondContact O-CG1 3.47Å; P29-I33 PolarHBondContact O-N 3.01Å; V30-I33 PolarHBondContact O-N 3.42Å; I33-Y36 WeakPolarHBondContact O-CB 3.36Å; I33-Y36 PolarHBondContact O-N 3.35Å; I33-S37 PolarHBondContact O-N 3.03Å
34	Y	55	Low	54.1	Low	169 Å²	169	102.7 Å²	102.7	66%	0.663	54%	0.541	S	S	*	.	H	α-helix	trans	-65.6	-46.8	179.1	-165.8	-96.8	0	0	0	111.7	V30 I32 Y36 S37 S38	V30-Y34 WeakPolarHBondContact O-CB 3.21Å; V30-Y34 PolarHBondContact O-N 3.47Å; I32-Y34 VanDerWaalsContact C-N 3.33Å; I32-Y34 PolarHBondContact O-N 3.23Å; Y34-Y36 VanDerWaalsContact C-N 3.26Å; Y34-Y36 PolarHBondContact O-N 3.39Å; Y34-S37 PolarHBondContact O-N 3.46Å; Y34-S37 PolarHBondContact O-OG 3.26Å; Y34-S38 PolarHBondContact O-N 3.06Å
35	N	45.8	Very low	52.4	Low	86 Å²	86	108.5 Å²	108.5	46%	0.46	56%	0.56	S	S	.	*	H	α-helix	trans	-60	-37.3	173.5	-80.6	-28.3	0	0	0	111.8	I31 I32 S38 I39	I31-N35 WeakPolarHBondContact O-CB 3.15Å; I31-N35 PolarHBondContact O-N 3.1Å; I31-N35 PolarHBondContact O-ND2 3.46Å; I32-N35 PolarHBondContact O-N 3.16Å; N35-S38 PolarHBondContact O-N 2.67Å; N35-I39 WeakPolarHBondContact O-CD1 3.49Å; N35-I39 WeakPolarHBondContact O-CG1 3.23Å; N35-I39 PolarHBondContact O-N 3.3Å
36	Y	53.1	Low	50.5	Low	120 Å²	120	108.5 Å²	108.5	47%	0.471	57%	0.569	S	S	.	*	H	α-helix	trans	-63.9	-44.5	175.2	-167	-99.9	0	0	0	112.2	I32 I33 Y34 S38 I39 A40	I32-Y36 WeakPolarHBondContact O-CB 3.42Å; I32-Y36 PolarHBondContact O-N 3.36Å; I33-Y36 WeakPolarHBondContact O-CB 3.36Å; I33-Y36 PolarHBondContact O-N 3.35Å; Y34-Y36 VanDerWaalsContact C-N 3.26Å; Y34-Y36 PolarHBondContact O-N 3.39Å; Y36-S38 VanDerWaalsContact C-N 3.27Å; Y36-S38 PolarHBondContact O-N 3.22Å; Y36-I39 PolarHBondContact O-N 3.28Å; Y36-A40 WeakPolarHBondContact O-CB 3.14Å; Y36-A40 PolarHBondContact O-N 2.95Å
37	S	48.3	Very low	48.4	Very low	49 Å²	49	110 Å²	110	34%	0.343	58%	0.577	S	S	.	*	H	α-helix	trans	-64.5	-31.1	177.3	80	0	0	0	0	113.1	I33 Y34 K41	I33-S37 PolarHBondContact O-N 3.03Å; Y34-S37 PolarHBondContact O-N 3.46Å; Y34-S37 PolarHBondContact O-OG 3.26Å; S37-K41 WeakPolarHBondContact O-CG 3.3Å
38	S	42.2	Very low	46.5	Very low	58 Å²	58	112.6 Å²	112.6	41%	0.406	59%	0.591	S	S	.	*	H	α-helix	trans	-74.7	-45.1	176.4	-170.8	0	0	0	0	111.6	Y34 N35 Y36 K41	Y34-S38 PolarHBondContact O-N 3.06Å; N35-S38 PolarHBondContact O-N 2.67Å; Y36-S38 VanDerWaalsContact C-N 3.27Å; Y36-S38 PolarHBondContact O-N 3.22Å; S38-K41 PolarHBondContact O-N 3.07Å
39	I	46.5	Very low	44.9	Very low	117 Å²	117	114 Å²	114	60%	0.6	60%	0.601	S	S	*	*	H	α-helix	trans	-67.1	-40	179.3	-65.1	163.5	0	0	0	111.2	N35 Y36 K41 H42	N35-I39 WeakPolarHBondContact O-CD1 3.49Å; N35-I39 WeakPolarHBondContact O-CG1 3.23Å; N35-I39 PolarHBondContact O-N 3.3Å; Y36-I39 PolarHBondContact O-N 3.28Å; I39-K41 PolarHBondContact O-N 3.34Å; I39-H42 PolarHBondContact O-N 3.37Å
40	A	46.9	Very low	43.3	Very low	61 Å²	61	115 Å²	115	50%	0.504	61%	0.614	S	S	.	*	H	α-helix	trans	-61.9	-28.4	177.2	0	0	0	0	0	112.9	Y36 H42	Y36-A40 WeakPolarHBondContact O-CB 3.14Å; Y36-A40 PolarHBondContact O-N 2.95Å; A40-H42 VanDerWaalsContact C-N 3.33Å
41	K	44.9	Very low	41.4	Very low	171 Å²	171	121.8 Å²	121.8	74%	0.743	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.5	-10.3	175.9	-73.9	177.9	-178.8	179.3	0	114	S37 S38 I39	S37-K41 WeakPolarHBondContact O-CG 3.3Å; S38-K41 PolarHBondContact O-N 3.07Å; I39-K41 PolarHBondContact O-N 3.34Å
42	H	38.6	Very low	39.7	Very low	152 Å²	152	123.3 Å²	123.3	70%	0.704	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.1	15.7	-175.9	-77.2	17.6	0	0	0	113.5	I39 A40 P44	I39-H42 PolarHBondContact O-N 3.37Å; A40-H42 VanDerWaalsContact C-N 3.33Å; H42-P44 WeakPolarHBondContact O-CD 3.2Å
43	V	33.4	Very low	38.1	Very low	108 Å²	108	126.1 Å²	126.1	66%	0.655	66%	0.662	S	S	*	*			trans	-69.4	110.8	167.3	-176.5	0	0	0	0	108	K45	V43-K45 PolarHBondContact O-N 2.95Å
44	P	31.6	Very low	36.3	Very low	108 Å²	108	126.4 Å²	126.4	70%	0.701	67%	0.669	S	S	*	*			trans	-65.7	134.5	176.1	-12.9	29.7	0	0	0	108.4	H42 S46	H42-P44 WeakPolarHBondContact O-CD 3.2Å; P44-S46 PolarHBondContact O-N 3Å
45	K	32.4	Very low	34.8	Very low	195 Å²	195	126 Å²	126	85%	0.848	68%	0.677	S	S	*	*			trans	-52.2	135.1	170.6	-77.5	179	176.3	178.1	0	108.9	V43 I47	V43-K45 PolarHBondContact O-N 2.95Å; K45-I47 PolarHBondContact O-N 3.2Å
46	S	32	Very low	33.8	Very low	108 Å²	108	127.9 Å²	127.9	76%	0.755	69%	0.693	S	S	*	*			trans	-41.7	120.3	178.4	46.9	0	0	0	0	111.7	P44 D48	P44-S46 PolarHBondContact O-N 3Å; S46-D48 PolarHBondContact O-N 3.18Å
47	I	27.7	Very low	32.5	Very low	148 Å²	148	125.1 Å²	125.1	76%	0.759	70%	0.702	S	S	*	*			trans	-76.3	117.7	166.9	-65	169.2	0	0	0	106.3	K45 I49	K45-I47 PolarHBondContact O-N 3.2Å; I47-I49 PolarHBondContact O-N 3.07Å
48	D	26	Very low	31.3	Very low	154 Å²	154	130.8 Å²	130.8	82%	0.824	73%	0.728	S	S	*	*			trans	-61.7	101.4	170.2	-77	-41.3	0	0	0	109	S46 A50	S46-D48 PolarHBondContact O-N 3.18Å; D48-A50 PolarHBondContact O-N 3.17Å
49	I	27	Very low	30.7	Very low	148 Å²	148	134.8 Å²	134.8	76%	0.759	74%	0.744	S	S	*	*			trans	-83	97.1	168.5	-59	176.1	0	0	0	106.3	I47 Y51	I47-I49 PolarHBondContact O-N 3.07Å; I49-Y51 PolarHBondContact O-N 3.28Å
50	A	27.6	Very low	29.6	Very low	81 Å²	81	135.3 Å²	135.3	67%	0.669	75%	0.753	S	S	*	*			trans	-54.8	125.9	169.6	0	0	0	0	0	110.1	D48 V52	D48-A50 PolarHBondContact O-N 3.17Å; A50-V52 PolarHBondContact O-N 2.92Å; A50-V52 VanDerWaalsContact O-N 3.12Å
51	Y	25.4	Very low	28.7	Very low	226 Å²	226	139.9 Å²	139.9	89%	0.886	77%	0.768	S	S	*	*			trans	-58.1	109.8	172.8	-94.3	-103.2	0	0	0	110.2	I49	I49-Y51 PolarHBondContact O-N 3.28Å
52	V	26.5	Very low	27.7	Very low	126 Å²	126	138.2 Å²	138.2	76%	0.764	77%	0.772	S	S	*	*			trans	-87.4	110.5	167.9	178.1	0	0	0	0	108.2	A50 T54	A50-V52 PolarHBondContact O-N 2.92Å; A50-V52 VanDerWaalsContact O-N 3.12Å; V52-T54 PolarHBondContact O-N 3.26Å
53	N	24.1	Very low	27.2	Very low	146 Å²	146	141.4 Å²	141.4	78%	0.781	78%	0.778	S	S	*	*			trans	-65.9	116.2	168.8	-75.4	-38.7	0	0	0	110.3
54	T	27.6	Very low	27	Very low	124 Å²	124	143 Å²	143	76%	0.761	78%	0.783	S	S	*	*			trans	-141	99.2	153	40.1	0	0	0	0	110	V52	V52-T54 PolarHBondContact O-N 3.26Å
55	I	24.4	Very low	26.8	Very low	161 Å²	161	149.1 Å²	149.1	83%	0.826	79%	0.792	S	S	*	*			trans	-88.1	129.1	156.8	-63.6	169.6	0	0	0	106.1
56	P	24	Very low	26.7	Very low	124 Å²	124	144.3 Å²	144.3	81%	0.805	78%	0.783	S	S	*	*				-138.8	128.3	129.1	33.7	-19.3	0	0	0	111.3
57	G	26.5	Very low	26.6	Very low	63 Å²	63	148.5 Å²	148.5	65%	0.649	79%	0.788	S	S	*	*			trans	139.6	96.4	162.3	0	0	0	0	0	114	I59	G57-I59 PolarHBondContact O-N 2.85Å
58	N	22.9	Very low	26.8	Very low	167 Å²	167	146.5 Å²	146.5	89%	0.893	78%	0.779	S	S	*	*			trans	-48.5	125.5	170.3	-75.3	-22.8	0	0	0	112.4
59	I	29.8	Very low	27.4	Very low	142 Å²	142	144.4 Å²	144.4	73%	0.728	77%	0.774	S	S	*	*			trans	-128.8	105.1	152.9	-55.3	-179	0	0	0	107.4	G57 L61	G57-I59 PolarHBondContact O-N 2.85Å; I59-L61 HydrophobicContact CG2-CD2 4.19Å; I59-L61 HydrophobicContact CG2-CG 3.91Å; I59-L61 PolarHBondContact O-N 3.49Å; I59-L61 VanDerWaalsContact O-N 3.17Å
60	T	22.5	Very low	27.7	Very low	129 Å²	129	142 Å²	142	79%	0.791	77%	0.766	S	S	*	*			trans	-67.4	98.9	165.1	30.9	0	0	0	0	109
61	L	29.1	Very low	27.9	Very low	157 Å²	157	148 Å²	148	82%	0.822	78%	0.777	S	S	*	*			trans	-99.5	87.1	164.6	-70.7	175.1	0	0	0	108.8	I59 R63	I59-L61 HydrophobicContact CG2-CD2 4.19Å; I59-L61 HydrophobicContact CG2-CG 3.91Å; I59-L61 PolarHBondContact O-N 3.49Å; I59-L61 VanDerWaalsContact O-N 3.17Å; L61-R63 PolarHBondContact O-N 3.11Å
62	T	23.9	Very low	28.3	Very low	135 Å²	135	142.2 Å²	142.2	83%	0.828	77%	0.77	S	S	*	*			trans	-70.6	113.3	160.6	52.5	0	0	0	0	108.1
63	R	28.1	Very low	28.4	Very low	220 Å²	220	145.2 Å²	145.2	83%	0.83	77%	0.773	S	S	*	*			trans	159.4	91	138.5	-170	166.6	173.8	162	-1.5	109.3	L61 W65	L61-R63 PolarHBondContact O-N 3.11Å; R63-W65 PolarHBondContact O-N 2.82Å
64	D	27.3	Very low	28.8	Very low	142 Å²	142	147.8 Å²	147.8	76%	0.759	78%	0.78	S	S	*	*			trans	-13.1	104.3	162.7	-57.4	-41.7	0	0	0	115.9
65	W	28.5	Very low	28.9	Very low	236 Å²	236	150.1 Å²	150.1	89%	0.894	78%	0.782	S	S	*	*			trans	-127.8	57.8	144.9	-78.8	64.1	0	0	0	107.3	R63 F67	R63-W65 PolarHBondContact O-N 2.82Å; W65-F67 PolarHBondContact O-N 3.48Å
66	S	31.2	Very low	29	Very low	94 Å²	94	148.5 Å²	148.5	66%	0.657	78%	0.775	S	S	*	*			trans	-70.7	108.2	163.1	50.9	0	0	0	0	107.5	D68	S66-D68 PolarHBondContact O-N 3Å
67	F	28.7	Very low	29.2	Very low	196 Å²	196	150.4 Å²	150.4	86%	0.86	78%	0.779	S	S	*	*			trans	-51	107.3	155.1	-102.6	-98.3	0	0	0	107.1	W65 P69	W65-F67 PolarHBondContact O-N 3.48Å; F67-P69 WeakPolarHBondContact O-CD 3.45Å
68	D	31.3	Very low	29.2	Very low	105 Å²	105	155.6 Å²	155.6	56%	0.561	79%	0.791	S	S	*	*			trans	-75.2	110.8	175.9	-173.3	-10.6	0	0	0	109	S66 T70	S66-D68 PolarHBondContact O-N 3Å; D68-T70 PolarHBondContact O-N 2.03Å; D68-T70 VanDerWaalsContact OD1-CB 3.31Å; D68-T70 WeakPolarHBondContact OD1-CB 3.44Å; D68-T70 WeakPolarHBondContact OD1-CG2 3.3Å; D68-T70 PolarHBondContact OD1-N 2.98Å; D68-T70 PolarHBondContact OD1-OG1 3.28Å; D68-T70 PolarHBondContact OD2-OG1 2.9Å; D68-T70 VanDerWaalsContact OD2-OG1 3.12Å
69	P	38.7	Very low	29.5	Very low	111 Å²	111	152.8 Å²	152.8	72%	0.721	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-78.7	2	-179.6	-6.7	26.5	0	0	0	112.9	F67 F71 S72	F67-P69 WeakPolarHBondContact O-CD 3.45Å; P69-F71 PolarHBondContact O-N 2.93Å; P69-S72 PolarHBondContact O-OG 3.21Å
70	T	32.9	Very low	29.4	Very low	98 Å²	98	153.1 Å²	153.1	60%	0.601	79%	0.793	S	S	*	*	G	3₁₀ helix	trans	-75.5	-4.6	-177.9	61.9	0	0	0	0	114.2	D68 S72 K73	D68-T70 PolarHBondContact O-N 2.03Å; D68-T70 VanDerWaalsContact OD1-CB 3.31Å; D68-T70 WeakPolarHBondContact OD1-CB 3.44Å; D68-T70 WeakPolarHBondContact OD1-CG2 3.3Å; D68-T70 PolarHBondContact OD1-N 2.98Å; D68-T70 PolarHBondContact OD1-OG1 3.28Å; D68-T70 PolarHBondContact OD2-OG1 2.9Å; D68-T70 VanDerWaalsContact OD2-OG1 3.12Å; T70-S72 PolarHBondContact O-N 3.37Å; T70-K73 PolarHBondContact O-N 3.2Å
71	F	33.2	Very low	29.9	Very low	206 Å²	206	151.3 Å²	151.3	90%	0.904	79%	0.786	S	S	*	*	G	3₁₀ helix	trans	-69.2	10.1	176.4	-136.5	-93	0	0	0	115.4	P69	P69-F71 PolarHBondContact O-N 2.93Å
72	S	33.5	Very low	30.1	Very low	105 Å²	105	151.4 Å²	151.4	73%	0.734	79%	0.787	S	S	*	*	G	3₁₀ helix	trans	-113.3	9.7	174.2	59.4	0	0	0	0	114.6	P69 T70	P69-S72 PolarHBondContact O-OG 3.21Å; T70-S72 PolarHBondContact O-N 3.37Å
73	K	29.2	Very low	30.6	Very low	188 Å²	188	150.9 Å²	150.9	82%	0.817	78%	0.779	S	S	*	*			trans	-126.8	60.5	175.4	-79.3	-173.8	176	179.2	0	113	T70	T70-K73 PolarHBondContact O-N 3.2Å
74	E	31.8	Very low	31	Very low	201 Å²	201	147.1 Å²	147.1	94%	0.939	77%	0.774	S	S	*	*			trans	-111	82.1	150.4	-79	-171	161.7	0	0	108.8
75	Q	29	Very low	31.7	Very low	172 Å²	172	148.4 Å²	148.4	80%	0.804	78%	0.775	S	S	*	*			trans	-81.1	130.2	161.3	-119.6	176.2	-9.1	0	0	108
76	N	27.8	Very low	31.8	Very low	127 Å²	127	147 Å²	147	68%	0.679	77%	0.77	S	S	*	*			trans	50.9	88.8	148.6	-60.1	-19.6	0	0	0	116.8
77	N	28	Very low	32.1	Very low	165 Å²	165	149.7 Å²	149.7	88%	0.882	78%	0.775	S	S	*	*			trans	-149	104.8	132.7	-91.7	-32.9	0	0	0	110.4	S79	N77-S79 PolarHBondContact O-N 3.5Å
78	L	26.4	Very low	32.3	Very low	172 Å²	172	149 Å²	149	90%	0.901	77%	0.772	S	S	*	*			trans	-59.6	114.9	159.6	-77.9	105.3	0	0	0	108.8
79	S	28.7	Very low	32.6	Very low	108 Å²	108	150.7 Å²	150.7	76%	0.755	78%	0.779	S	S	*	*			trans	-166	130.9	136.2	44.4	0	0	0	0	110.5	N77 S81	N77-S79 PolarHBondContact O-N 3.5Å; S79-S81 PolarHBondContact O-N 3.22Å
80	T	28.2	Very low	32.7	Very low	148 Å²	148	152.3 Å²	152.3	91%	0.908	78%	0.781	S	S	*	*			trans	-32.9	108.7	175.6	51.5	0	0	0	0	115.5
81	S	33.3	Very low	32.9	Very low	92 Å²	92	151.8 Å²	151.8	64%	0.643	78%	0.779	S	S	*	*			trans	-146	125.2	148.4	-179.2	0	0	0	0	108.3	S79 N83	S79-S81 PolarHBondContact O-N 3.22Å; S81-N83 PolarHBondContact O-N 3.26Å
82	N	32.3	Very low	33.7	Very low	159 Å²	159	146.3 Å²	146.3	85%	0.85	77%	0.772	S	S	*	*			trans	-66.2	70.4	179.2	-78.5	-29.2	0	0	0	111.1	I84	N82-I84 VanDerWaalsContact C-N 3.29Å; N82-I84 PolarHBondContact O-N 2.98Å; N82-I84 VanDerWaalsContact O-N 3.12Å
83	N	35.1	Very low	34.3	Very low	124 Å²	124	150.6 Å²	150.6	66%	0.663	78%	0.777	S	S	*	*			trans	-84	81.9	166.5	-80.6	-18.9	0	0	0	108.2	S81 H85	S81-N83 PolarHBondContact O-N 3.26Å; N83-H85 PolarHBondContact O-N 2.91Å
84	I	35.8	Very low	35.3	Very low	141 Å²	141	144.4 Å²	144.4	72%	0.723	76%	0.758	S	S	*	*			trans	-60.3	95.8	162	-60.1	171.8	0	0	0	105.8	N82 R86	N82-I84 VanDerWaalsContact C-N 3.29Å; N82-I84 PolarHBondContact O-N 2.98Å; N82-I84 VanDerWaalsContact O-N 3.12Å; I84-R86 HydrophobicContact CG2-CG 4.3Å; I84-R86 PolarHBondContact O-N 2.87Å
85	H	41.9	Very low	36.2	Very low	169 Å²	169	138.8 Å²	138.8	78%	0.782	74%	0.741	S	S	*	*			trans	-61.7	91.9	167.4	-77.5	-72.7	0	0	0	107.5	N83 I87	N83-H85 PolarHBondContact O-N 2.91Å; H85-I87 PolarHBondContact O-N 2.93Å
86	R	31.3	Very low	37.5	Very low	207 Å²	207	132.1 Å²	132.1	78%	0.781	72%	0.719	S	S	*	*			trans	-64.1	101.9	169.1	-74.6	-174.6	178.6	174.4	0.1	107	I84 F88	I84-R86 HydrophobicContact CG2-CG 4.3Å; I84-R86 PolarHBondContact O-N 2.87Å; R86-F88 PolarHBondContact O-N 3.46Å
87	I	37.8	Very low	38.9	Very low	149 Å²	149	128.9 Å²	128.9	76%	0.764	71%	0.706	S	S	*	*			trans	-61.7	105.7	164.1	-61.8	173.3	0	0	0	105.6	H85 I89	H85-I87 PolarHBondContact O-N 2.93Å; I87-I89 HydrophobicContact CG2-CG1 4.37Å; I87-I89 PolarHBondContact O-N 2.97Å
88	F	33	Very low	40.3	Very low	182 Å²	182	124.5 Å²	124.5	80%	0.798	68%	0.682	S	S	*	*			trans	-68.2	97.4	172	-90.8	-91.7	0	0	0	108.1	R86 I90	R86-F88 PolarHBondContact O-N 3.46Å; F88-I90 PolarHBondContact O-N 3.37Å
89	I	37.4	Very low	41.9	Very low	140 Å²	140	118 Å²	118	72%	0.718	65%	0.649	S	S	*	*			trans	-76.1	103.1	162.3	-56	176.5	0	0	0	105.1	I87 P91	I87-I89 HydrophobicContact CG2-CG1 4.37Å; I87-I89 PolarHBondContact O-N 2.97Å; I89-P91 WeakPolarHBondContact O-CD 3.05Å
90	I	39.8	Very low	43.4	Very low	145 Å²	145	115 Å²	115	74%	0.744	62%	0.623	S	S	*	*			trans	-71.1	111.7	161.4	-58.8	174.7	0	0	0	104.6	F88 A92	F88-I90 PolarHBondContact O-N 3.37Å; I90-A92 PolarHBondContact O-N 3.36Å
91	P	37.9	Very low	45.6	Very low	88 Å²	88	113 Å²	113	57%	0.571	60%	0.604	S	S	*	*			trans	-65.5	110.3	169.9	-3.3	20.2	0	0	0	105.1	I89 F93	I89-P91 WeakPolarHBondContact O-CD 3.05Å; P91-F93 PolarHBondContact O-N 3.04Å
92	A	50.7	Low	47	Very low	90 Å²	90	110.2 Å²	110.2	74%	0.744	58%	0.579	S	S	*	*			trans	-59	111.5	158.9	0	0	0	0	0	105	I90 S94	I90-A92 PolarHBondContact O-N 3.36Å; A92-S94 PolarHBondContact O-N 3.35Å
93	F	45.7	Very low	49.2	Very low	195 Å²	195	105.4 Å²	105.4	86%	0.855	56%	0.557	S	S	*	*			trans	-63.3	89	168.4	-82.4	-91.8	0	0	0	106.6	P91	P91-F93 PolarHBondContact O-N 3.04Å
94	S	49.1	Very low	51.8	Low	59 Å²	59	101.7 Å²	101.7	41%	0.413	54%	0.536	S	S	.	.			trans	-82.3	123.9	161.2	178.4	0	0	0	0	106.4	A92 G96 D99	A92-S94 PolarHBondContact O-N 3.35Å; S94-G96 PolarHBondContact O-N 2.8Å; S94-G96 PolarHBondContact OG-N 3.36Å; S94-D99 PolarHBondContact OG-OD2 2.95Å
95	S	52.1	Low	54.3	Low	82 Å²	82	99.9 Å²	99.9	57%	0.573	53%	0.532	S	S	*	.			trans	-69	-5.2	166.5	55.1	0	0	0	0	112.4	S97 D98	S95-S97 PolarHBondContact O-N 3.25Å; S95-S97 VanDerWaalsContact O-N 3.13Å; S95-S97 PolarHBondContact OG-N 3.25Å; S95-S97 PolarHBondContact OG-OG 3.19Å; S95-D98 PolarHBondContact OG-OD1 3.12Å
96	G	55.7	Low	56.5	Low	33 Å²	33	92.6 Å²	92.6	34%	0.34	50%	0.499	S	S	.	.	S	Bend	trans	74.6	-23.7	-164.8	0	0	0	0	0	113.1	S94 D99	S94-G96 PolarHBondContact O-N 2.8Å; S94-G96 PolarHBondContact OG-N 3.36Å; G96-D99 PolarHBondContact O-N 3.05Å
97	S	56.1	Low	59.4	Low	58 Å²	58	86.5 Å²	86.5	41%	0.406	48%	0.482	S	S	.	.	S	Bend	trans	-72.8	-32.7	175.9	68.4	0	0	0	0	112.4	S95 D99 L100	S95-S97 PolarHBondContact O-N 3.25Å; S95-S97 VanDerWaalsContact O-N 3.13Å; S95-S97 PolarHBondContact OG-N 3.25Å; S95-S97 PolarHBondContact OG-OG 3.19Å; S97-D99 PolarHBondContact O-N 3.27Å; S97-L100 VanDerWaalsContact O-CB 3.3Å; S97-L100 WeakPolarHBondContact O-CB 3.47Å; S97-L100 PolarHBondContact O-N 3.38Å
98	D	58	Low	62	Low	74 Å²	74	79.4 Å²	79.4	40%	0.396	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.4	178.4	-58.4	-11.9	0	0	0	112.1	S95 L100 K353	S95-D98 PolarHBondContact OG-OD1 3.12Å; D98-L100 VanDerWaalsContact C-N 3.29Å; D98-K353 PolarHBondContact O-NZ 3.41Å
99	D	60.7	Low	64.9	Low	36 Å²	36	73 Å²	73	19%	0.193	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-15.6	174.5	-59.1	-41.3	0	0	0	111.9	S94 G96 S97 K353 K354 L356	S94-D99 PolarHBondContact OG-OD2 2.95Å; G96-D99 PolarHBondContact O-N 3.05Å; S97-D99 PolarHBondContact O-N 3.27Å; D99-K353 HydrophobicContact CB-CG 4.49Å; D99-K353 WeakPolarHBondContact OD1-CE 3.43Å; D99-K353 IonicContact OD1-NZ 3.8Å; D99-K354 WeakPolarHBondContact O-CA 3.31Å; D99-L356 HydrophobicContact CB-CD2 4.03Å
100	L	59.3	Low	67.7	Low	43 Å²	43	72.5 Å²	72.5	23%	0.225	42%	0.415	C	S	.	.	S	Bend	trans	-90.6	-12.4	179.6	-53.3	178.8	0	0	0	113.5	S97 D98 V105	S97-L100 VanDerWaalsContact O-CB 3.3Å; S97-L100 WeakPolarHBondContact O-CB 3.47Å; S97-L100 PolarHBondContact O-N 3.38Å; D98-L100 VanDerWaalsContact C-N 3.29Å; L100-V105 HydrophobicContact CB-CG1 4.07Å; L100-V105 WeakPolarHBondContact O-CA 3.27Å
101	E	74.8	Confident	70.3	Confident	107 Å²	107	65.8 Å²	65.8	50%	0.5	38%	0.381	S	S	.	.			trans	-77.5	162.7	-175.1	-66.2	-166.4	168	0	0	114.6	V105	E101-V105 HydrophobicContact CG-CG2 4.34Å
102	Y	63.7	Low	73.1	Confident	33 Å²	33	61.7 Å²	61.7	13%	0.129	35%	0.354	C	S	.	.	S	Bend	trans	84.4	112.6	172.8	-144	-92.3	0	0	0	117.8	K305 E306 Y307 A308 P309 K354	Y102-K305 PolarHBondContact OH-O 3.26Å; Y102-E306 WeakPolarHBondContact CE1-O 3.48Å; Y102-E306 VanDerWaalsContact CZ-O 3.27Å; Y102-E306 PolarHBondContact OH-O 3.24Å; Y102-Y307 AromaticContact CD1-CD2 3.75Å; Y102-Y307 HydrophobicContact CD1-CD2 3.75Å; Y102-Y307 HydrophobicContact CD1-CE2 4.03Å; Y102-Y307 HydrophobicContact CD2-CD2 4.23Å; Y102-Y307 HydrophobicContact CD2-CE2 4.42Å; Y102-Y307 AromaticContact CE1-CD2 3.76Å; Y102-Y307 HydrophobicContact CE1-CD2 3.76Å; Y102-Y307 HydrophobicContact CE1-CE2 4.49Å; Y102-Y307 HydrophobicContact CE2-CD2 4.25Å; Y102-Y307 HydrophobicContact CG-CD2 4.04Å; Y102-Y307 HydrophobicContact CG-CE2 4.04Å; Y102-Y307 WeakPolarHBondContact OH-CA 3.49Å; Y102-Y307 PolarHBondContact OH-N 3.41Å; Y102-A308 HydrophobicContact CE2-CB 4.37Å; Y102-P309 HydrophobicContact CD2-CG 4.49Å; Y102-K354 PolarHBondContact O-NZ 2.74Å
103	P	77.3	Confident	75.2	Confident	59 Å²	59	59 Å²	59	38%	0.383	33%	0.334	S	S	.	.	S	Bend	cis	-86.8	9	-24.8	46.2	-42.2	0	0	0	111.1	I126 K339	P103-I126 HydrophobicContact CG-CD1 3.35Å; P103-K339 HydrophobicContact CB-CB 3.98Å; P103-K339 HydrophobicContact CB-CD 3.53Å; P103-K339 HydrophobicContact CB-CG 4.11Å; P103-K339 VanDerWaalsContact CD-CB 3.48Å; P103-K339 HydrophobicContact CG-CB 3.29Å; P103-K339 HydrophobicContact CG-CD 3.7Å; P103-K339 HydrophobicContact CG-CG 3.67Å
104	M	89.1	Confident	77.7	Confident	45 Å²	45	52.5 Å²	52.5	22%	0.222	31%	0.307	C	S	.	.	S	Bend	trans	-139.3	124.5	-170.4	165	-179.1	-108.1	0	0	106.7	V106 I126 Y337 K354	M104-V106 HydrophobicContact CG-CB 4.44Å; M104-V106 HydrophobicContact CG-CG1 4.39Å; M104-I126 HydrophobicContact CB-CD1 3.75Å; M104-I126 HydrophobicContact CE-CG2 3.42Å; M104-I126 VanDerWaalsContact CE-CG2 3.42Å; M104-I126 HydrophobicContact SD-CD1 4.23Å; M104-I126 HydrophobicContact SD-CG1 4.18Å; M104-I126 HydrophobicContact SD-CG2 3.74Å; M104-Y337 HydrophobicContact SD-CD1 4.46Å; M104-K354 PolarHBondContact O-NZ 2.87Å
105	V	88.2	Confident	80	Confident	104 Å²	104	51.9 Å²	51.9	63%	0.63	30%	0.3	S	S	*	.			trans	-84	112.6	176.6	-176.5	0	0	0	0	108.5	L100 E101	L100-V105 HydrophobicContact CB-CG1 4.07Å; L100-V105 WeakPolarHBondContact O-CA 3.27Å; E101-V105 HydrophobicContact CG-CG2 4.34Å
106	V	89.5	Confident	82.1	Confident	15 Å²	15	52 Å²	52	9%	0.091	29%	0.294	C	S	.	.			trans	-150.8	141.9	177.8	65.3	0	0	0	0	109.6	M104 M108 L111	M104-V106 HydrophobicContact CG-CB 4.44Å; M104-V106 HydrophobicContact CG-CG1 4.39Å; V106-M108 VanDerWaalsContact C-N 3.27Å; V106-M108 HydrophobicContact CG1-CE 3.72Å; V106-M108 HydrophobicContact CG1-SD 4.45Å; V106-M108 PolarHBondContact O-N 3.48Å; V106-L111 HydrophobicContact CG2-CB 4.36Å; V106-L111 HydrophobicContact CG2-CD1 3.64Å
107	D	91.6	Very high	84.1	Confident	80 Å²	80	54.2 Å²	54.2	43%	0.428	30%	0.304	S	S	.	.			trans	-68.2	87.9	166.9	-177.6	-15.9	0	0	0	108.7	P109 K110 L111	D107-P109 WeakPolarHBondContact OD1-CD 3.27Å; D107-K110 HydrophobicContact CB-CB 4.06Å; D107-K110 PolarHBondContact O-N 3.08Å; D107-K110 VanDerWaalsContact OD1-CB 3.23Å; D107-K110 WeakPolarHBondContact OD1-CB 3.41Å; D107-K110 PolarHBondContact OD1-N 3.23Å; D107-K110 VanDerWaalsContact OD2-CB 3.28Å; D107-K110 WeakPolarHBondContact OD2-CB 3.46Å; D107-L111 WeakPolarHBondContact O-CB 3.41Å; D107-L111 PolarHBondContact O-N 3.46Å
108	M	93.5	Very high	86	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-64.9	-42.9	-174.1	-168	68.3	70	0	0	112.7	V106 K110 L111 V112 A334 K354 L355	V106-M108 VanDerWaalsContact C-N 3.27Å; V106-M108 HydrophobicContact CG1-CE 3.72Å; V106-M108 HydrophobicContact CG1-SD 4.45Å; V106-M108 PolarHBondContact O-N 3.48Å; M108-K110 PolarHBondContact O-N 2.94Å; M108-L111 PolarHBondContact O-N 2.61Å; M108-L111 HydrophobicContact SD-CD2 4.45Å; M108-V112 HydrophobicContact CG-CG2 4.26Å; M108-V112 WeakPolarHBondContact O-CB 3.39Å; M108-V112 WeakPolarHBondContact O-CG2 3.32Å; M108-V112 PolarHBondContact O-N 2.78Å; M108-V112 HydrophobicContact SD-CG2 4.28Å; M108-A334 HydrophobicContact CE-CB 4.46Å; M108-A334 HydrophobicContact CG-CB 3.9Å; M108-A334 HydrophobicContact SD-CB 3.61Å; M108-K354 HydrophobicContact CB-CB 3.89Å; M108-K354 WeakPolarHBondContact CB-O 3.26Å; M108-K354 HydrophobicContact CE-CB 4.45Å; M108-K354 HydrophobicContact CE-CD 4.05Å; M108-K354 HydrophobicContact CG-CB 4.17Å; M108-L355 HydrophobicContact CB-CD2 4.42Å; M108-L355 HydrophobicContact CG-CD2 3.68Å; M108-L355 HydrophobicContact CG-CG 4.18Å
109	P	94	Very high	87.8	Confident	47 Å²	47	60.3 Å²	60.3	31%	0.305	33%	0.332	S	S	.	.	H	α-helix	trans	-59.4	-44.9	175.8	-24.9	36.1	0	0	0	112.1	D107 V112 G113 K354 L356	D107-P109 WeakPolarHBondContact OD1-CD 3.27Å; P109-V112 PolarHBondContact O-N 3.33Å; P109-G113 PolarHBondContact O-N 2.99Å; P109-K354 VanDerWaalsContact CD-O 3.32Å; P109-K354 WeakPolarHBondContact CD-O 3.47Å; P109-L356 HydrophobicContact CG-CD1 4.36Å; P109-L356 HydrophobicContact CG-CG 4.31Å
110	K	94.2	Very high	89.4	Confident	129 Å²	129	64.9 Å²	64.9	56%	0.561	36%	0.361	S	S	*	.	H	α-helix	trans	-62.7	-47.8	176.1	-178.8	-179.6	178.6	178.6	0	111.7	D107 M108 V112 G113 Q114	D107-K110 HydrophobicContact CB-CB 4.06Å; D107-K110 PolarHBondContact O-N 3.08Å; D107-K110 VanDerWaalsContact OD1-CB 3.23Å; D107-K110 WeakPolarHBondContact OD1-CB 3.41Å; D107-K110 PolarHBondContact OD1-N 3.23Å; D107-K110 VanDerWaalsContact OD2-CB 3.28Å; D107-K110 WeakPolarHBondContact OD2-CB 3.46Å; M108-K110 PolarHBondContact O-N 2.94Å; K110-V112 VanDerWaalsContact C-N 3.35Å; K110-V112 PolarHBondContact O-N 2.71Å; K110-G113 PolarHBondContact O-N 3.1Å; K110-Q114 WeakPolarHBondContact O-CB 3.11Å; K110-Q114 WeakPolarHBondContact O-CG 3.27Å; K110-Q114 PolarHBondContact O-N 3.17Å
111	L	94.8	Very high	91	Very high	5 Å²	5	64.7 Å²	64.7	3%	0.026	36%	0.362	C	S	.	.	H	α-helix	trans	-57.7	-49	179.1	-179.5	153.3	0	0	0	110.9	V106 D107 M108 Q114 V115 V121 I333 Y337	V106-L111 HydrophobicContact CG2-CB 4.36Å; V106-L111 HydrophobicContact CG2-CD1 3.64Å; D107-L111 WeakPolarHBondContact O-CB 3.41Å; D107-L111 PolarHBondContact O-N 3.46Å; M108-L111 PolarHBondContact O-N 2.61Å; M108-L111 HydrophobicContact SD-CD2 4.45Å; L111-Q114 PolarHBondContact O-N 2.96Å; L111-V115 HydrophobicContact CD2-CG2 4.2Å; L111-V115 WeakPolarHBondContact O-CG2 3.35Å; L111-V115 PolarHBondContact O-N 3.23Å; L111-V121 HydrophobicContact CG-CB 4.49Å; L111-V121 HydrophobicContact CG-CG1 4.21Å; L111-I333 HydrophobicContact CD2-CG2 3.97Å; L111-Y337 HydrophobicContact CD1-CD1 3.68Å; L111-Y337 HydrophobicContact CD1-CD2 4.21Å; L111-Y337 HydrophobicContact CD1-CE1 3.77Å; L111-Y337 HydrophobicContact CD1-CE2 4.31Å; L111-Y337 HydrophobicContact CD1-CG 3.89Å; L111-Y337 HydrophobicContact CD2-CD2 3.59Å; L111-Y337 HydrophobicContact CD2-CE2 3.61Å; L111-Y337 HydrophobicContact CD2-CG 4.07Å
112	V	96.3	Very high	91.8	Very high	2 Å²	2	66.6 Å²	66.6	1%	0.012	38%	0.381	C	S	.	.	H	α-helix	trans	-63.5	-43.8	179.5	168.6	0	0	0	0	111	M108 P109 K110 Q114 V115 L116 Q330 I333 A334 L355	M108-V112 HydrophobicContact CG-CG2 4.26Å; M108-V112 WeakPolarHBondContact O-CB 3.39Å; M108-V112 WeakPolarHBondContact O-CG2 3.32Å; M108-V112 PolarHBondContact O-N 2.78Å; M108-V112 HydrophobicContact SD-CG2 4.28Å; P109-V112 PolarHBondContact O-N 3.33Å; K110-V112 VanDerWaalsContact C-N 3.35Å; K110-V112 PolarHBondContact O-N 2.71Å; V112-Q114 VanDerWaalsContact C-N 3.32Å; V112-Q114 PolarHBondContact O-N 3.25Å; V112-V115 PolarHBondContact O-N 3.19Å; V112-L116 HydrophobicContact CG1-CD1 3.8Å; V112-L116 HydrophobicContact CG1-CG 4.25Å; V112-L116 WeakPolarHBondContact O-CB 3.43Å; V112-L116 WeakPolarHBondContact O-CG 3.33Å; V112-L116 PolarHBondContact O-N 2.79Å; V112-Q330 HydrophobicContact CG1-CB 3.81Å; V112-Q330 HydrophobicContact CG1-CG 3.75Å; V112-I333 HydrophobicContact CG1-CD1 4.29Å; V112-I333 HydrophobicContact CG2-CB 4.17Å; V112-I333 HydrophobicContact CG2-CG2 3.94Å; V112-A334 HydrophobicContact CG2-CB 4.05Å; V112-L355 HydrophobicContact CB-CD2 4.45Å; V112-L355 HydrophobicContact CG2-CD2 4Å
113	G	96.5	Very high	93.1	Very high	32 Å²	32	66.7 Å²	66.7	33%	0.33	39%	0.386	S	S	.	.	H	α-helix	trans	-59.4	-41.2	175.8	0	0	0	0	0	112.9	P109 K110 S117	P109-G113 PolarHBondContact O-N 2.99Å; K110-G113 PolarHBondContact O-N 3.1Å; G113-S117 WeakPolarHBondContact O-CB 3.37Å; G113-S117 PolarHBondContact O-N 2.92Å; G113-S117 VanDerWaalsContact O-N 3.08Å; G113-S117 PolarHBondContact O-OG 2.91Å
114	Q	97.7	Very high	93.9	Very high	59 Å²	59	68 Å²	68	28%	0.276	40%	0.397	S	S	.	.	H	α-helix	trans	-63.6	-49.3	174.9	-74.1	-179.9	-60.9	0	0	111.6	K110 L111 V112 L116 S117 N118 L119 V121	K110-Q114 WeakPolarHBondContact O-CB 3.11Å; K110-Q114 WeakPolarHBondContact O-CG 3.27Å; K110-Q114 PolarHBondContact O-N 3.17Å; L111-Q114 PolarHBondContact O-N 2.96Å; V112-Q114 VanDerWaalsContact C-N 3.32Å; V112-Q114 PolarHBondContact O-N 3.25Å; Q114-L116 PolarHBondContact O-N 3.2Å; Q114-S117 CarbonylContact O-C 3.5Å; Q114-S117 WeakPolarHBondContact O-CA 3.33Å; Q114-S117 PolarHBondContact O-N 3.24Å; Q114-S117 VanDerWaalsContact O-N 3.08Å; Q114-N118 PolarHBondContact O-N 3.48Å; Q114-L119 HydrophobicContact CB-CB 4.03Å; Q114-L119 HydrophobicContact CG-CB 4.4Å; Q114-L119 HydrophobicContact CG-CD1 4.32Å; Q114-L119 WeakPolarHBondContact O-CB 3.12Å; Q114-L119 PolarHBondContact O-N 3.1Å; Q114-V121 HydrophobicContact CB-CG1 3.69Å
115	V	96.9	Very high	94.2	Very high	46 Å²	46	68.1 Å²	68.1	28%	0.279	40%	0.401	S	S	.	.	H	α-helix	trans	-62.3	-43.4	179.6	174.7	0	0	0	0	111.4	L111 V112 S117 N118 V121 I333	L111-V115 HydrophobicContact CD2-CG2 4.2Å; L111-V115 WeakPolarHBondContact O-CG2 3.35Å; L111-V115 PolarHBondContact O-N 3.23Å; V112-V115 PolarHBondContact O-N 3.19Å; V115-S117 PolarHBondContact O-N 3.33Å; V115-N118 PolarHBondContact O-N 3.01Å; V115-N118 VanDerWaalsContact O-N 3.07Å; V115-V121 HydrophobicContact CG2-CG1 3.81Å; V115-V121 HydrophobicContact CG2-CG2 4.21Å; V115-I333 HydrophobicContact CB-CD1 4.03Å; V115-I333 HydrophobicContact CB-CG2 3.96Å; V115-I333 HydrophobicContact CG1-CD1 3.64Å; V115-I333 HydrophobicContact CG1-CG1 3.88Å; V115-I333 HydrophobicContact CG1-CG2 3.93Å; V115-I333 HydrophobicContact CG2-CG2 4.04Å
116	L	96	Very high	94.5	Very high	86 Å²	86	66.6 Å²	66.6	45%	0.45	39%	0.388	S	S	.	.	H	α-helix	trans	-63.5	-26.9	176	-72.1	174.7	0	0	0	112.8	V112 Q114 N118 R329 Q330 I333	V112-L116 HydrophobicContact CG1-CD1 3.8Å; V112-L116 HydrophobicContact CG1-CG 4.25Å; V112-L116 WeakPolarHBondContact O-CB 3.43Å; V112-L116 WeakPolarHBondContact O-CG 3.33Å; V112-L116 PolarHBondContact O-N 2.79Å; Q114-L116 PolarHBondContact O-N 3.2Å; L116-N118 VanDerWaalsContact C-N 3.31Å; L116-R329 HydrophobicContact CD2-CB 4.42Å; L116-Q330 HydrophobicContact CD1-CG 4.09Å; L116-I333 HydrophobicContact CD2-CD1 3.49Å; L116-I333 VanDerWaalsContact CD2-CD1 3.49Å; L116-I333 HydrophobicContact CG-CD1 3.59Å
117	S	97.3	Very high	94.8	Very high	78 Å²	78	66.4 Å²	66.4	55%	0.545	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	10.6	176.3	-52.8	0	0	0	0	113.2	G113 Q114 V115 L119	G113-S117 WeakPolarHBondContact O-CB 3.37Å; G113-S117 PolarHBondContact O-N 2.92Å; G113-S117 VanDerWaalsContact O-N 3.08Å; G113-S117 PolarHBondContact O-OG 2.91Å; Q114-S117 CarbonylContact O-C 3.5Å; Q114-S117 WeakPolarHBondContact O-CA 3.33Å; Q114-S117 PolarHBondContact O-N 3.24Å; Q114-S117 VanDerWaalsContact O-N 3.08Å; V115-S117 PolarHBondContact O-N 3.33Å; S117-L119 PolarHBondContact O-N 3.45Å
118	N	96	Very high	94.9	Very high	157 Å²	157	65.3 Å²	65.3	84%	0.84	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	29.4	-175.1	-59.8	-46.8	0	0	0	114.1	Q114 V115 L116	Q114-N118 PolarHBondContact O-N 3.48Å; V115-N118 PolarHBondContact O-N 3.01Å; V115-N118 VanDerWaalsContact O-N 3.07Å; L116-N118 VanDerWaalsContact C-N 3.31Å
119	L	96.3	Very high	94.8	Very high	103 Å²	103	67.2 Å²	67.2	54%	0.539	39%	0.394	S	S	.	.			trans	-89.6	153	174.4	-60	175.7	0	0	0	110.7	Q114 S117	Q114-L119 HydrophobicContact CB-CB 4.03Å; Q114-L119 HydrophobicContact CG-CB 4.4Å; Q114-L119 HydrophobicContact CG-CD1 4.32Å; Q114-L119 WeakPolarHBondContact O-CB 3.12Å; Q114-L119 PolarHBondContact O-N 3.1Å; S117-L119 PolarHBondContact O-N 3.45Å
120	T	93.7	Very high	94.8	Very high	132 Å²	132	72.4 Å²	72.4	81%	0.81	41%	0.411	S	S	*	.			trans	-71.2	144.6	175.1	53	0	0	0	0	111
121	V	93.9	Very high	94.9	Very high	39 Å²	39	69.3 Å²	69.3	24%	0.236	40%	0.398	C	S	.	.			trans	-121.5	142.8	174.4	-62.7	0	0	0	0	109.2	L111 Q114 V115 Y337	L111-V121 HydrophobicContact CG-CB 4.49Å; L111-V121 HydrophobicContact CG-CG1 4.21Å; Q114-V121 HydrophobicContact CB-CG1 3.69Å; V115-V121 HydrophobicContact CG2-CG1 3.81Å; V115-V121 HydrophobicContact CG2-CG2 4.21Å; V121-Y337 WeakPolarHBondContact CG2-OH 3.18Å
122	T	90.8	Very high	95.1	Very high	147 Å²	147	72.7 Å²	72.7	90%	0.902	42%	0.42	S	S	*	.	S	Bend	trans	-81.3	-25.3	-176.7	50.6	0	0	0	0	112.8
123	S	91.4	Very high	95.1	Very high	35 Å²	35	75.2 Å²	75.2	25%	0.245	43%	0.433	C	S	.	.	S	Bend	trans	-77.9	137.6	178.8	-53.6	0	0	0	0	111.3	Y337	S123-Y337 VanDerWaalsContact O-CE1 3.32Å; S123-Y337 WeakPolarHBondContact O-CE1 3.34Å
124	S	94.3	Very high	95.1	Very high	88 Å²	88	77.5 Å²	77.5	62%	0.615	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-87.2	145.7	169.8	-63.5	0	0	0	0	111.3	Y337	S124-Y337 VanDerWaalsContact C-CE1 3.5Å
125	P	95.3	Very high	95.1	Very high	46 Å²	46	76 Å²	76	30%	0.299	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-54.1	141	169.1	-28.6	37.1	0	0	0	112.7	D128 R336 Y337	P125-D128 HydrophobicContact CB-CB 4.22Å; P125-R336 CarbonylContact C-O 3.58Å; P125-R336 VanDerWaalsContact CA-O 3.3Å; P125-R336 WeakPolarHBondContact CA-O 3.48Å; P125-R336 HydrophobicContact CB-CB 4.16Å; P125-R336 WeakPolarHBondContact CB-O 3.41Å; P125-Y337 HydrophobicContact CG-CE1 4.14Å; P125-Y337 HydrophobicContact CG-CE2 4.45Å
126	I	95.5	Very high	95.1	Very high	72 Å²	72	75.5 Å²	75.5	37%	0.369	43%	0.43	S	S	.	.	S	Bend	trans	-109.7	-7.5	175.5	57.9	160.2	0	0	0	113.1	P103 M104 R336	P103-I126 HydrophobicContact CG-CD1 3.35Å; M104-I126 HydrophobicContact CB-CD1 3.75Å; M104-I126 HydrophobicContact CE-CG2 3.42Å; M104-I126 VanDerWaalsContact CE-CG2 3.42Å; M104-I126 HydrophobicContact SD-CD1 4.23Å; M104-I126 HydrophobicContact SD-CG1 4.18Å; M104-I126 HydrophobicContact SD-CG2 3.74Å; I126-R336 PolarHBondContact N-O 2.99Å
127	N	95.3	Very high	95.2	Very high	12 Å²	12	73.1 Å²	73.1	6%	0.064	42%	0.416	C	S	.	.			trans	-143.6	92.4	179.7	176	40.9	0	0	0	109.4	M233 M335 R336 T338 Y347	N127-M233 VanDerWaalsContact ND2-CE 3.3Å; N127-M233 WeakPolarHBondContact ND2-CE 3.49Å; N127-M335 PolarHBondContact ND2-O 2.93Å; N127-M335 VanDerWaalsContact ND2-O 3.08Å; N127-R336 PolarHBondContact N-O 3.15Å; N127-R336 VanDerWaalsContact O-CA 3.25Å; N127-R336 WeakPolarHBondContact O-CA 3.37Å; N127-T338 WeakPolarHBondContact CB-O 3.36Å; N127-Y347 PolarHBondContact ND2-OH 3.27Å
128	D	93	Very high	95.1	Very high	57 Å²	57	73.6 Å²	73.6	31%	0.305	41%	0.409	S	S	.	.			trans	-134.6	65.1	-175.1	-165.5	8.6	0	0	0	111.4	P125 K130 R336	P125-D128 HydrophobicContact CB-CB 4.22Å; D128-K130 WeakPolarHBondContact O-CE 3.47Å; D128-K130 PolarHBondContact O-N 3.11Å; D128-K130 IonicContact OD1-NZ 2.8Å; D128-K130 PolarHBondContact OD1-NZ 3.19Å; D128-K130 WeakPolarHBondContact OD2-CE 3.34Å; D128-K130 IonicContact OD2-NZ 2.69Å; D128-K130 PolarHBondContact OD2-NZ 2.77Å; D128-R336 IonicContact OD1-NE 2.91Å; D128-R336 IonicContact OD1-NH2 3.36Å; D128-R336 IonicContact OD2-CZ 3.76Å; D128-R336 IonicContact OD2-NE 2.69Å; D128-R336 IonicContact OD2-NH2 3.25Å; D128-R336 PolarHBondContact OD2-NH2 2.88Å
129	P	92.4	Very high	95.1	Very high	40 Å²	40	71.3 Å²	71.3	26%	0.26	39%	0.394	S	S	.	.			trans	-63	133.2	-176.9	28.1	-35.9	0	0	0	111.2	F131 Y230 M233	P129-F131 HydrophobicContact CB-CD2 3.74Å; P129-F131 HydrophobicContact CB-CE2 3.51Å; P129-F131 HydrophobicContact CB-CZ 4.27Å; P129-F131 HydrophobicContact CG-CD2 4.46Å; P129-F131 HydrophobicContact CG-CE2 4.36Å; P129-F131 PolarHBondContact O-N 3.14Å; P129-Y230 HydrophobicContact CB-CD1 4.21Å; P129-Y230 HydrophobicContact CB-CE1 3.82Å; P129-Y230 HydrophobicContact CG-CD1 3.91Å; P129-Y230 HydrophobicContact CG-CE1 3.76Å; P129-M233 HydrophobicContact CG-CE 3.7Å
130	K	94.1	Very high	95	Very high	156 Å²	156	68.3 Å²	68.3	68%	0.678	38%	0.376	S	S	*	.			trans	-102.4	51.1	-175.7	-57.6	-55.8	-179.5	-169.9	0	112.6	D128 P132	D128-K130 WeakPolarHBondContact O-CE 3.47Å; D128-K130 PolarHBondContact O-N 3.11Å; D128-K130 IonicContact OD1-NZ 2.8Å; D128-K130 PolarHBondContact OD1-NZ 3.19Å; D128-K130 WeakPolarHBondContact OD2-CE 3.34Å; D128-K130 IonicContact OD2-NZ 2.69Å; D128-K130 PolarHBondContact OD2-NZ 2.77Å; K130-P132 WeakPolarHBondContact O-CD 3.18Å
131	F	96.7	Very high	95.1	Very high	64 Å²	64	62.3 Å²	62.3	28%	0.281	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-78.3	124.4	178.4	-58.6	-59.7	0	0	0	111.7	P129 Q219 D220 F221 Y230	P129-F131 HydrophobicContact CB-CD2 3.74Å; P129-F131 HydrophobicContact CB-CE2 3.51Å; P129-F131 HydrophobicContact CB-CZ 4.27Å; P129-F131 HydrophobicContact CG-CD2 4.46Å; P129-F131 HydrophobicContact CG-CE2 4.36Å; P129-F131 PolarHBondContact O-N 3.14Å; F131-Q219 HydrophobicContact CB-CG 3.66Å; F131-Q219 PolarHBondContact O-NE2 3.46Å; F131-D220 WeakPolarHBondContact CD1-O 3.25Å; F131-F221 HydrophobicContact CD1-CB 4.07Å; F131-F221 HydrophobicContact CD2-CB 3.95Å; F131-F221 HydrophobicContact CD2-CD1 4.35Å; F131-F221 HydrophobicContact CE1-CB 3.99Å; F131-F221 HydrophobicContact CE2-CB 3.87Å; F131-F221 HydrophobicContact CG-CB 4.06Å; F131-F221 HydrophobicContact CZ-CB 3.9Å; F131-Y230 HydrophobicContact CD2-CD1 4.49Å; F131-Y230 AromaticContact CE2-CD1 3.7Å; F131-Y230 HydrophobicContact CE2-CD1 3.7Å; F131-Y230 AromaticContact CE2-CD2 3.98Å; F131-Y230 HydrophobicContact CE2-CD2 3.98Å; F131-Y230 AromaticContact CE2-CE1 3.9Å; F131-Y230 HydrophobicContact CE2-CE1 3.9Å; F131-Y230 HydrophobicContact CE2-CE2 4.17Å; F131-Y230 AromaticContact CE2-CG 3.74Å; F131-Y230 HydrophobicContact CE2-CG 3.74Å; F131-Y230 HydrophobicContact CZ-CD2 4.33Å; F131-Y230 HydrophobicContact CZ-CE2 4.24Å
132	P	97.1	Very high	95	Very high	76 Å²	76	64.6 Å²	64.6	49%	0.494	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-61.5	147.5	172.6	-24.5	33.8	0	0	0	113.2	K130 Q219 D220	K130-P132 WeakPolarHBondContact O-CD 3.18Å; P132-Q219 WeakPolarHBondContact O-CA 3.36Å; P132-Q219 WeakPolarHBondContact O-CG 3.36Å; P132-D220 HydrophobicContact CB-CB 4.49Å; P132-D220 PolarHBondContact O-N 2.89Å
133	I	97.7	Very high	95.1	Very high	55 Å²	55	61.1 Å²	61.1	28%	0.282	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.8	168.6	-60.4	177.8	0	0	0	108.1	I135 F234 Y242	I133-I135 WeakPolarHBondContact CG2-O 3.49Å; I133-F234 HydrophobicContact CD1-CE2 4.18Å; I133-F234 HydrophobicContact CG1-CE2 3.99Å; I133-Y242 HydrophobicContact CD1-CE2 4.26Å
134	L	97	Very high	95	Very high	79 Å²	79	60.9 Å²	60.9	41%	0.414	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-41.9	178.3	-61.8	176.6	0	0	0	111.5	N194 Q218 D220	L134-N194 HydrophobicContact CD1-CB 4.32Å; L134-Q218 HydrophobicContact CB-CB 4.2Å; L134-Q218 HydrophobicContact CB-CG 4.16Å; L134-Q218 HydrophobicContact CD1-CG 4.09Å; L134-Q218 PolarHBondContact N-O 3.03Å; L134-D220 HydrophobicContact CD1-CB 3.98Å; L134-D220 HydrophobicContact CD2-CB 4.07Å; L134-D220 HydrophobicContact CG-CB 3.96Å
135	I	97.7	Very high	94.7	Very high	29 Å²	29	59.9 Å²	59.9	15%	0.149	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	121.3	176.3	-53.1	174.5	0	0	0	107.4	I133 E137 I216 I217 Q218	I133-I135 WeakPolarHBondContact CG2-O 3.49Å; I135-E137 HydrophobicContact CG2-CG 4.37Å; I135-I216 HydrophobicContact CD1-CG2 4.28Å; I135-I216 WeakPolarHBondContact CG2-O 3.34Å; I135-I217 WeakPolarHBondContact O-CA 3.09Å; I135-Q218 HydrophobicContact CB-CB 3.9Å; I135-Q218 HydrophobicContact CD1-CB 4.14Å; I135-Q218 HydrophobicContact CG1-CB 4Å; I135-Q218 PolarHBondContact N-O 3.12Å; I135-Q218 PolarHBondContact O-N 3.23Å
136	S	96.7	Very high	94.5	Very high	35 Å²	35	64.4 Å²	64.4	25%	0.245	33%	0.331	C	S	.	.			trans	-102.7	-34.5	-169.1	65.7	0	0	0	0	114.9	H138 W238	S136-H138 PolarHBondContact O-N 3.31Å; S136-H138 PolarHBondContact OG-ND1 2.9Å; S136-W238 PolarHBondContact O-NE1 3.12Å
137	E	96.9	Very high	94.2	Very high	36 Å²	36	66.4 Å²	66.4	17%	0.168	35%	0.346	C	S	.	.			trans	42.4	32.9	-171.5	-63.2	-60	150.2	0	0	113.8	I135 Q139 K140 H214 I216 I217	I135-E137 HydrophobicContact CG2-CG 4.37Å; E137-Q139 PolarHBondContact O-N 2.85Å; E137-K140 VanDerWaalsContact O-CB 3.28Å; E137-K140 WeakPolarHBondContact O-CB 3.47Å; E137-K140 PolarHBondContact O-N 2.87Å; E137-H214 IonicContact OE1-ND1 3.6Å; E137-H214 PolarHBondContact OE1-ND1 3.17Å; E137-H214 IonicContact OE2-ND1 2.82Å; E137-I216 VanDerWaalsContact CG-O 3.23Å; E137-I216 WeakPolarHBondContact CG-O 3.45Å; E137-I217 HydrophobicContact CB-CG2 3.83Å; E137-I217 HydrophobicContact CG-CG2 4.23Å
138	H	96.5	Very high	93.8	Very high	87 Å²	87	67.8 Å²	67.8	40%	0.403	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-15.6	-166.3	62	-83.8	0	0	0	114.2	S136 Y242	S136-H138 PolarHBondContact O-N 3.31Å; S136-H138 PolarHBondContact OG-ND1 2.9Å; H138-Y242 HydrophobicContact CB-CD1 3.51Å; H138-Y242 HydrophobicContact CB-CD2 4.34Å; H138-Y242 HydrophobicContact CB-CE1 3.51Å; H138-Y242 HydrophobicContact CB-CE2 4.35Å; H138-Y242 HydrophobicContact CB-CG 3.93Å
139	Q	95.5	Very high	93.6	Very high	110 Å²	110	67.9 Å²	67.9	51%	0.514	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-5.1	176.6	-61.8	-176	-42	0	0	113.1	E137 C141 N142 N143	E137-Q139 PolarHBondContact O-N 2.85Å; Q139-C141 PolarHBondContact O-N 2.86Å; Q139-N142 PolarHBondContact O-N 2.86Å; Q139-N142 VanDerWaalsContact O-N 3.1Å; Q139-N143 WeakPolarHBondContact O-CB 3.27Å; Q139-N143 PolarHBondContact O-N 3.42Å; Q139-N143 PolarHBondContact O-OD1 3.13Å
140	K	94.8	Very high	93.5	Very high	40 Å²	40	70.8 Å²	70.8	17%	0.174	38%	0.38	C	S	.	.	H	α-helix	trans	-51.9	-51.2	-171.3	-171.5	73.2	171.5	-168.7	0	113.2	E137 N143 I144 I187 L189 H214	E137-K140 VanDerWaalsContact O-CB 3.28Å; E137-K140 WeakPolarHBondContact O-CB 3.47Å; E137-K140 PolarHBondContact O-N 2.87Å; K140-N143 PolarHBondContact O-N 2.7Å; K140-I144 PolarHBondContact O-N 3.2Å; K140-I187 HydrophobicContact CG-CD1 4.38Å; K140-I187 HydrophobicContact CG-CG2 4.01Å; K140-L189 HydrophobicContact CD-CD2 4.49Å; K140-L189 HydrophobicContact CG-CD2 4.25Å; K140-H214 PolarHBondContact NZ-O 2.96Å
141	C	94.2	Very high	93.3	Very high	6 Å²	6	65.3 Å²	65.3	4%	0.041	36%	0.363	C	S	.	.	H	α-helix	trans	-68.6	-37.9	-179.8	-70.6	0	0	0	0	113.2	Q139 L145 P152 I187 C243	Q139-C141 PolarHBondContact O-N 2.86Å; C141-L145 PolarHBondContact O-N 2.75Å; C141-P152 HydrophobicContact CB-CG 4.47Å; C141-I187 HydrophobicContact CB-CD1 4.17Å; C141-I187 WeakPolarHBondContact SG-CD1 3.48Å; C141-C243 HydrophobicContact CB-CB 3.88Å; C141-C243 WeakPolarHBondContact CB-SG 3.24Å; C141-C243 WeakPolarHBondContact SG-CB 3.31Å; C141-C243 CovalentContact SG-SG 2.01Å; C141-C243 PolarHBondContact SG-SG 2.8Å
142	N	93.2	Very high	93.3	Very high	86 Å²	86	62.5 Å²	62.5	46%	0.46	35%	0.351	S	S	.	.	H	α-helix	trans	-69	-38.7	177.1	-70	-15.3	0	0	0	111.5	Q139 I144 L145 L146	Q139-N142 PolarHBondContact O-N 2.86Å; Q139-N142 VanDerWaalsContact O-N 3.1Å; N142-I144 VanDerWaalsContact C-N 3.32Å; N142-I144 PolarHBondContact O-N 3.45Å; N142-L145 PolarHBondContact O-N 2.84Å; N142-L146 WeakPolarHBondContact O-CB 3.39Å; N142-L146 VanDerWaalsContact O-CG 3.26Å; N142-L146 WeakPolarHBondContact O-CG 3.39Å; N142-L146 PolarHBondContact O-N 3.22Å
143	N	92.4	Very high	93.2	Very high	74 Å²	74	61 Å²	61	40%	0.396	34%	0.338	S	S	.	.	H	α-helix	trans	-61.3	-42.6	178.8	-71.6	-8	0	0	0	110.9	Q139 K140 L146 T147	Q139-N143 WeakPolarHBondContact O-CB 3.27Å; Q139-N143 PolarHBondContact O-N 3.42Å; Q139-N143 PolarHBondContact O-OD1 3.13Å; K140-N143 PolarHBondContact O-N 2.7Å; N143-L146 PolarHBondContact O-N 3.35Å; N143-T147 VanDerWaalsContact O-CG2 3.31Å; N143-T147 WeakPolarHBondContact O-CG2 3.33Å; N143-T147 PolarHBondContact O-N 3.4Å; N143-T147 PolarHBondContact O-OG1 2.99Å
144	I	88.3	Confident	93.2	Very high	31 Å²	31	58.6 Å²	58.6	16%	0.159	33%	0.326	C	S	.	.	H	α-helix	trans	-64.2	-43.2	175.8	-66.7	-175.5	0	0	0	111.7	K140 N142 L146 T147 T148 P152 I187	K140-I144 PolarHBondContact O-N 3.2Å; N142-I144 VanDerWaalsContact C-N 3.32Å; N142-I144 PolarHBondContact O-N 3.45Å; I144-L146 VanDerWaalsContact C-N 3.3Å; I144-L146 PolarHBondContact O-N 3.35Å; I144-T147 PolarHBondContact O-N 3.15Å; I144-T147 PolarHBondContact O-OG1 3.19Å; I144-T148 HydrophobicContact CG2-CG2 4.25Å; I144-T148 WeakPolarHBondContact O-CB 3.42Å; I144-T148 PolarHBondContact O-N 3.38Å; I144-T148 PolarHBondContact O-OG1 2.87Å; I144-P152 HydrophobicContact CB-CG 4.11Å; I144-P152 HydrophobicContact CD1-CG 4.49Å; I144-P152 HydrophobicContact CG2-CG 3.95Å; I144-I187 HydrophobicContact CD1-CD1 3.73Å; I144-I187 HydrophobicContact CD1-CG1 3.31Å
145	L	89.7	Confident	93.2	Very high	67 Å²	67	54.9 Å²	54.9	35%	0.351	31%	0.306	S	S	.	.	H	α-helix	trans	-59.7	-42.4	175.3	176.4	64	0	0	0	111.6	C141 N142 G149 E150 A151	C141-L145 PolarHBondContact O-N 2.75Å; N142-L145 PolarHBondContact O-N 2.84Å; L145-G149 CarbonylContact O-C 3.16Å; L145-G149 WeakPolarHBondContact O-CA 3.43Å; L145-G149 PolarHBondContact O-N 2.87Å; L145-E150 WeakPolarHBondContact CA-O 3.48Å; L145-E150 VanDerWaalsContact CD1-C 3.49Å; L145-A151 HydrophobicContact CD1-CB 4.38Å
146	L	91	Very high	93.3	Very high	141 Å²	141	53.5 Å²	53.5	74%	0.738	30%	0.299	S	S	*	.	H	α-helix	trans	-69.9	-35	179.9	-70.2	171.6	0	0	0	112.8	N142 N143 I144	N142-L146 WeakPolarHBondContact O-CB 3.39Å; N142-L146 VanDerWaalsContact O-CG 3.26Å; N142-L146 WeakPolarHBondContact O-CG 3.39Å; N142-L146 PolarHBondContact O-N 3.22Å; N143-L146 PolarHBondContact O-N 3.35Å; I144-L146 VanDerWaalsContact C-N 3.3Å; I144-L146 PolarHBondContact O-N 3.35Å
147	T	87.9	Confident	93.4	Very high	114 Å²	114	51.8 Å²	51.8	70%	0.699	29%	0.287	S	S	*	.	H	α-helix	trans	-84.7	-31.3	-177.9	56.3	0	0	0	0	113.5	N143 I144	N143-T147 VanDerWaalsContact O-CG2 3.31Å; N143-T147 WeakPolarHBondContact O-CG2 3.33Å; N143-T147 PolarHBondContact O-N 3.4Å; N143-T147 PolarHBondContact O-OG1 2.99Å; I144-T147 PolarHBondContact O-N 3.15Å; I144-T147 PolarHBondContact O-OG1 3.19Å
148	T	86.7	Confident	93.5	Very high	40 Å²	40	50.1 Å²	50.1	25%	0.245	28%	0.279	C	S	.	.	H	α-helix	trans	-104.1	-16.8	-177.6	66.1	0	0	0	0	113.4	I144 E150	I144-T148 HydrophobicContact CG2-CG2 4.25Å; I144-T148 WeakPolarHBondContact O-CB 3.42Å; I144-T148 PolarHBondContact O-N 3.38Å; I144-T148 PolarHBondContact O-OG1 2.87Å; T148-E150 PolarHBondContact O-N 3.5Å; T148-E150 PolarHBondContact OG1-N 3.27Å; T148-E150 PolarHBondContact OG1-O 3.3Å
149	G	89.3	Confident	93.6	Very high	59 Å²	59	46.7 Å²	46.7	61%	0.608	26%	0.263	S	S	*	.	S	Bend	trans	77.6	-7.5	-171.8	0	0	0	0	0	114.2	L145	L145-G149 CarbonylContact O-C 3.16Å; L145-G149 WeakPolarHBondContact O-CA 3.43Å; L145-G149 PolarHBondContact O-N 2.87Å
150	E	89.7	Confident	93.7	Very high	102 Å²	102	41.6 Å²	41.6	48%	0.477	24%	0.24	S	C	.	.	S	Bend	trans	-125.1	145.7	-178	-64.4	-166.6	176.5	0	0	112	L145 T148 R185	L145-E150 WeakPolarHBondContact CA-O 3.48Å; L145-E150 VanDerWaalsContact CD1-C 3.49Å; T148-E150 PolarHBondContact O-N 3.5Å; T148-E150 PolarHBondContact OG1-N 3.27Å; T148-E150 PolarHBondContact OG1-O 3.3Å; E150-R185 IonicContact OE2-CZ 2.77Å; E150-R185 IonicContact OE2-NE 3.9Å; E150-R185 IonicContact OE2-NH1 2.77Å; E150-R185 PolarHBondContact OE2-NH1 3.13Å; E150-R185 IonicContact OE2-NH2 3.73Å; E150-R185 PolarHBondContact OE2-NH2 3.37Å
151	A	91.1	Very high	93.8	Very high	40 Å²	40	40.9 Å²	40.9	33%	0.331	24%	0.241	S	C	.	.			trans	-70.2	148.8	178.7	0	0	0	0	0	111	L145 R185	L145-A151 HydrophobicContact CD1-CB 4.38Å; A151-R185 PolarHBondContact O-NE 3.4Å
152	P	95.1	Very high	94	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.032	24%	0.241	C	C	.	.			trans	-58.4	149.6	168.5	-14.3	24.5	0	0	0	111.3	C141 I144 I187 V246	C141-P152 HydrophobicContact CB-CG 4.47Å; I144-P152 HydrophobicContact CB-CG 4.11Å; I144-P152 HydrophobicContact CD1-CG 4.49Å; I144-P152 HydrophobicContact CG2-CG 3.95Å; P152-I187 HydrophobicContact CB-CD1 3.69Å; P152-I187 HydrophobicContact CB-CG1 4.02Å; P152-I187 HydrophobicContact CG-CD1 3.41Å; P152-I187 VanDerWaalsContact CG-CD1 3.41Å; P152-I187 HydrophobicContact CG-CG1 4.13Å; P152-V246 HydrophobicContact CB-CG1 4.36Å; P152-V246 HydrophobicContact CB-CG2 3.82Å; P152-V246 HydrophobicContact CG-CG2 4.06Å; P152-V246 WeakPolarHBondContact O-CG1 3.22Å
153	E	95.2	Very high	94.1	Very high	45 Å²	45	40.7 Å²	40.7	21%	0.21	25%	0.247	C	C	.	.	S	Bend	trans	-105.7	-25.6	-175	-56.9	-178.3	-85.3	0	0	112.2	R184 R185 V246 P247	E153-R184 VanDerWaalsContact CD-NE 3.35Å; E153-R184 IonicContact OE1-CZ 3.8Å; E153-R184 IonicContact OE1-NE 2.61Å; E153-R184 PolarHBondContact OE1-NE 2.93Å; E153-R184 IonicContact OE1-NH2 3.23Å; E153-R184 IonicContact OE2-CZ 2.6Å; E153-R184 VanDerWaalsContact OE2-CZ 3.23Å; E153-R184 IonicContact OE2-NE 3.63Å; E153-R184 PolarHBondContact OE2-NE 3.39Å; E153-R184 IonicContact OE2-NH2 2.67Å; E153-R184 PolarHBondContact OE2-NH2 3.13Å; E153-R185 PolarHBondContact N-O 2.88Å; E153-R185 IonicContact OE1-CZ 3.67Å; E153-R185 PolarHBondContact OE1-N 3.43Å; E153-R185 IonicContact OE1-NH2 2.81Å; E153-V246 VanDerWaalsContact C-CG1 3.5Å; E153-P247 WeakPolarHBondContact O-CD 3.21Å; E153-P247 WeakPolarHBondContact O-CG 3.31Å
154	L	97.7	Very high	94.4	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.026	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	135.1	180	177.3	63.5	0	0	0	109.9	I156 W181 V186 I187 I248 M250 V263 I267	L154-I156 HydrophobicContact CD2-CD1 3.89Å; L154-I156 HydrophobicContact CD2-CG1 3.86Å; L154-I156 HydrophobicContact CG-CD1 4.49Å; L154-I156 HydrophobicContact CG-CG1 3.91Å; L154-W181 HydrophobicContact CD2-CH2 4.38Å; L154-W181 HydrophobicContact CD2-CZ3 3.89Å; L154-V186 HydrophobicContact CB-CG1 4.21Å; L154-V186 HydrophobicContact CB-CG2 4.19Å; L154-V186 HydrophobicContact CD2-CG1 3.95Å; L154-V186 HydrophobicContact CD2-CG2 4.3Å; L154-V186 HydrophobicContact CG-CG1 4.11Å; L154-V186 WeakPolarHBondContact O-CA 3.33Å; L154-I187 PolarHBondContact O-N 3.4Å; L154-I248 WeakPolarHBondContact CA-O 3.22Å; L154-I248 HydrophobicContact CD1-CB 4.09Å; L154-I248 HydrophobicContact CD1-CG2 3.71Å; L154-M250 HydrophobicContact CD1-CB 3.9Å; L154-V263 HydrophobicContact CD2-CG1 4.16Å; L154-I267 HydrophobicContact CD1-CD1 3.99Å; L154-I267 HydrophobicContact CD2-CD1 3.79Å; L154-I267 HydrophobicContact CG-CD1 4.34Å
155	I	98.2	Very high	94.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.3	164.4	-45.2	176.2	0	0	0	108	L157 I187 L189 A239 C243 V246 I248 I249 M250	I155-L157 HydrophobicContact CG2-CD2 3.86Å; I155-L157 HydrophobicContact CG2-CG 4.1Å; I155-I187 CarbonylContact C-O 3.49Å; I155-I187 HydrophobicContact CG2-CB 4.34Å; I155-I187 HydrophobicContact CG2-CG2 4.12Å; I155-L189 HydrophobicContact CG2-CD1 4.5Å; I155-A239 HydrophobicContact CD1-CB 4.31Å; I155-C243 HydrophobicContact CD1-CB 3.24Å; I155-V246 HydrophobicContact CD1-CB 3.87Å; I155-V246 HydrophobicContact CD1-CG1 4.21Å; I155-V246 HydrophobicContact CD1-CG2 3.92Å; I155-V246 HydrophobicContact CG1-CB 3.79Å; I155-V246 HydrophobicContact CG1-CG1 3.57Å; I155-V246 HydrophobicContact CG1-CG2 3.91Å; I155-I248 PolarHBondContact N-O 2.86Å; I155-I249 CarbonylContact O-C 3.56Å; I155-I249 WeakPolarHBondContact O-CA 3.44Å; I155-M250 PolarHBondContact O-N 3.29Å
156	I	98.8	Very high	95.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	109.7	172.1	-50.2	-168.1	0	0	0	108.3	L154 I158 W175 W181 V186 I187 L189 M250 V252	L154-I156 HydrophobicContact CD2-CD1 3.89Å; L154-I156 HydrophobicContact CD2-CG1 3.86Å; L154-I156 HydrophobicContact CG-CD1 4.49Å; L154-I156 HydrophobicContact CG-CG1 3.91Å; I156-I158 HydrophobicContact CG2-CD1 4.49Å; I156-I158 HydrophobicContact CG2-CG1 3.84Å; I156-W175 HydrophobicContact CG2-CZ3 4.45Å; I156-W181 HydrophobicContact CD1-CH2 3.22Å; I156-W181 HydrophobicContact CD1-CZ2 3.35Å; I156-W181 HydrophobicContact CD1-CZ3 4.07Å; I156-V186 HydrophobicContact CD1-CG1 3.66Å; I156-V186 HydrophobicContact CG1-CG1 3.71Å; I156-I187 PolarHBondContact N-O 3.04Å; I156-L189 PolarHBondContact O-N 3.13Å; I156-M250 CarbonylContact C-O 3.59Å; I156-M250 VanDerWaalsContact CA-O 3.29Å; I156-M250 WeakPolarHBondContact CA-O 3.43Å; I156-M250 HydrophobicContact CD1-SD 3.93Å; I156-M250 HydrophobicContact CG1-CB 4.26Å; I156-M250 HydrophobicContact CG1-SD 4.26Å; I156-M250 HydrophobicContact CG2-CG 4.43Å; I156-M250 HydrophobicContact CG2-SD 4.43Å; I156-V252 HydrophobicContact CG2-CG1 3.64Å
157	L	98.8	Very high	95.5	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	104.4	175.8	-64.5	-179.5	0	0	0	109.2	I155 L189 I217 G235 W238 A239 I249 M250 F251 V252	I155-L157 HydrophobicContact CG2-CD2 3.86Å; I155-L157 HydrophobicContact CG2-CG 4.1Å; L157-L189 WeakPolarHBondContact CA-O 3.27Å; L157-L189 HydrophobicContact CD2-CB 3.98Å; L157-L189 HydrophobicContact CD2-CD1 4.36Å; L157-I217 HydrophobicContact CD2-CD1 4.08Å; L157-G235 WeakPolarHBondContact CD1-O 3.27Å; L157-W238 HydrophobicContact CD2-CE3 4.48Å; L157-A239 HydrophobicContact CD1-CB 4.3Å; L157-I249 HydrophobicContact CD1-CG2 3.78Å; L157-I249 HydrophobicContact CG-CG2 4.06Å; L157-M250 PolarHBondContact N-O 2.85Å; L157-F251 HydrophobicContact CB-CD1 3.81Å; L157-F251 HydrophobicContact CB-CE1 3.78Å; L157-F251 HydrophobicContact CB-CG 4.45Å; L157-F251 HydrophobicContact CB-CZ 4.38Å; L157-F251 HydrophobicContact CD1-CD1 4.4Å; L157-F251 HydrophobicContact CD1-CE1 3.59Å; L157-F251 HydrophobicContact CD1-CE2 4.23Å; L157-F251 HydrophobicContact CD1-CZ 3.49Å; L157-F251 VanDerWaalsContact CD1-CZ 3.49Å; L157-F251 HydrophobicContact CG-CE1 4.34Å; L157-F251 WeakPolarHBondContact O-CA 3.46Å; L157-V252 PolarHBondContact O-N 3.46Å; L157-V252 VanDerWaalsContact O-N 3.16Å
158	I	98.8	Very high	96	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	106.5	-172.2	-52.2	163.7	0	0	0	108.9	I156 S160 I171 W175 H188 L189 F190 L191 V252 D254	I156-I158 HydrophobicContact CG2-CD1 4.49Å; I156-I158 HydrophobicContact CG2-CG1 3.84Å; I158-S160 PolarHBondContact O-N 3.17Å; I158-S160 VanDerWaalsContact O-N 3.15Å; I158-I171 HydrophobicContact CD1-CG2 4.04Å; I158-I171 HydrophobicContact CG2-CD1 4.19Å; I158-W175 HydrophobicContact CD1-CH2 3.83Å; I158-W175 HydrophobicContact CD1-CZ3 4.02Å; I158-W175 HydrophobicContact CG1-CH2 4.05Å; I158-W175 HydrophobicContact CG1-CZ3 4.43Å; I158-H188 HydrophobicContact CD1-CB 4.29Å; I158-L189 PolarHBondContact N-O 3.21Å; I158-F190 HydrophobicContact CB-CD1 3.67Å; I158-F190 HydrophobicContact CB-CE1 3.99Å; I158-F190 HydrophobicContact CD1-CD1 3.99Å; I158-F190 HydrophobicContact CD1-CE1 3.6Å; I158-F190 HydrophobicContact CD1-CZ 3.99Å; I158-F190 HydrophobicContact CG1-CD1 4.44Å; I158-F190 HydrophobicContact CG1-CE1 4.41Å; I158-F190 HydrophobicContact CG2-CD1 3.68Å; I158-F190 HydrophobicContact CG2-CE1 3.75Å; I158-F190 CarbonylContact O-C 3.51Å; I158-F190 WeakPolarHBondContact O-CA 3.49Å; I158-L191 PolarHBondContact O-N 3.36Å; I158-V252 CarbonylContact C-O 3.54Å; I158-V252 VanDerWaalsContact CA-O 3.3Å; I158-V252 WeakPolarHBondContact CA-O 3.36Å; I158-V252 HydrophobicContact CB-CG1 4.2Å; I158-V252 HydrophobicContact CG1-CG1 3.75Å; I158-V252 HydrophobicContact CG2-CG1 4.23Å; I158-D254 HydrophobicContact CG2-CB 4.19Å
159	K	98.7	Very high	96.5	Very high	15 Å²	15	34 Å²	34	7%	0.065	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	112.9	174.3	-72.9	-174.7	-78	154.8	0	109.5	L191 K231 I232 V252 D253 D254 G318 D344	K159-L191 HydrophobicContact CG-CD2 4.21Å; K159-K231 HydrophobicContact CB-CD 4.14Å; K159-K231 HydrophobicContact CD-CD 4.38Å; K159-K231 HydrophobicContact CG-CD 3.94Å; K159-K231 HydrophobicContact CG-CG 4.3Å; K159-I232 HydrophobicContact CD-CD1 3.67Å; K159-I232 HydrophobicContact CD-CG1 4.07Å; K159-I232 HydrophobicContact CG-CD1 4.31Å; K159-V252 PolarHBondContact N-O 2.97Å; K159-D253 WeakPolarHBondContact CB-OD1 3.45Å; K159-D253 WeakPolarHBondContact CE-OD1 3.34Å; K159-D253 IonicContact NZ-OD1 3.57Å; K159-D253 PolarHBondContact NZ-OD1 3.08Å; K159-D253 IonicContact NZ-OD2 2.68Å; K159-D254 WeakPolarHBondContact O-CB 3.47Å; K159-D254 PolarHBondContact O-N 2.94Å; K159-G318 WeakPolarHBondContact CE-O 3.36Å; K159-G318 PolarHBondContact NZ-O 3.42Å; K159-D344 IonicContact NZ-OD2 2.72Å; K159-D344 PolarHBondContact NZ-OD2 3.38Å
160	S	98.3	Very high	97	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.021	17%	0.169	C	C	.	.			trans	-133.9	161.6	178	-171.2	0	0	0	0	110.4	I158 R168 L191 K231 D254	I158-S160 PolarHBondContact O-N 3.17Å; I158-S160 VanDerWaalsContact O-N 3.15Å; S160-R168 WeakPolarHBondContact OG-CG 3.38Å; S160-R168 PolarHBondContact OG-NH1 3.21Å; S160-R168 VanDerWaalsContact OG-NH1 3.14Å; S160-L191 PolarHBondContact N-O 2.78Å; S160-K231 PolarHBondContact O-NZ 2.77Å; S160-D254 VanDerWaalsContact CA-OD2 3.26Å; S160-D254 WeakPolarHBondContact CA-OD2 3.5Å; S160-D254 VanDerWaalsContact CB-OD2 3.23Å; S160-D254 WeakPolarHBondContact CB-OD2 3.5Å; S160-D254 PolarHBondContact OG-OD2 2.83Å
161	A	97.5	Very high	97.4	Very high	25 Å²	25	26.5 Å²	26.5	21%	0.207	15%	0.147	C	C	.	.			trans	-101	147.9	173.3	0	0	0	0	0	110.6	S163 N164 R168	A161-S163 PolarHBondContact O-N 3.38Å; A161-N164 WeakPolarHBondContact O-CB 3.43Å; A161-N164 PolarHBondContact O-N 2.72Å; A161-R168 PolarHBondContact O-NH1 3.02Å
162	P	97.3	Very high	97.8	Very high	7 Å²	7	26 Å²	26	5%	0.045	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	-40	179.1	-32.3	31.8	0	0	0	114.8	N164 R168 L192 V195 L202 L206 D223	P162-N164 VanDerWaalsContact C-N 3.32Å; P162-N164 PolarHBondContact O-N 2.68Å; P162-R168 PolarHBondContact O-NH2 3.32Å; P162-L192 HydrophobicContact CB-CD2 4.49Å; P162-L192 HydrophobicContact CG-CD2 4.31Å; P162-V195 HydrophobicContact CB-CG2 3.63Å; P162-V195 HydrophobicContact CG-CG2 3.97Å; P162-L202 HydrophobicContact CB-CD2 4.08Å; P162-L202 HydrophobicContact CB-CG 4.35Å; P162-L206 HydrophobicContact CB-CD2 4.3Å; P162-D223 WeakPolarHBondContact CD-OD2 3.34Å; P162-D223 HydrophobicContact CG-CB 4.34Å
163	S	96.3	Very high	97.9	Very high	82 Å²	82	30.2 Å²	30.2	57%	0.573	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-16.7	178.5	50.3	0	0	0	0	115.2	A161 F165	A161-S163 PolarHBondContact O-N 3.38Å; S163-F165 PolarHBondContact O-N 2.91Å
164	N	97.5	Very high	98	Very high	40 Å²	40	28 Å²	28	21%	0.214	15%	0.148	C	C	.	.			trans	-81.2	37.3	-176	-71.9	-6.2	0	0	0	113.7	A161 P162 L166 R167 R168 D254	A161-N164 WeakPolarHBondContact O-CB 3.43Å; A161-N164 PolarHBondContact O-N 2.72Å; P162-N164 VanDerWaalsContact C-N 3.32Å; P162-N164 PolarHBondContact O-N 2.68Å; N164-L166 VanDerWaalsContact C-N 3.28Å; N164-L166 PolarHBondContact O-N 3.41Å; N164-R167 HydrophobicContact CB-CB 4.25Å; N164-R167 HydrophobicContact CB-CG 4.34Å; N164-R167 PolarHBondContact O-N 2.96Å; N164-R168 PolarHBondContact O-N 3.37Å; N164-R168 VanDerWaalsContact O-N 3.13Å; N164-D254 VanDerWaalsContact CB-OD2 3.28Å; N164-D254 WeakPolarHBondContact CB-OD2 3.45Å; N164-D254 PolarHBondContact ND2-OD1 3.33Å; N164-D254 PolarHBondContact ND2-OD2 3.26Å
165	F	96.9	Very high	98	Very high	67 Å²	67	27.8 Å²	27.8	29%	0.294	15%	0.147	S	C	.	.	H	α-helix	trans	-51.4	-45	-179.9	179.6	-89.7	0	0	0	112.7	S163 R167 R168 N169 I205 E209	S163-F165 PolarHBondContact O-N 2.91Å; F165-R167 VanDerWaalsContact C-N 3.32Å; F165-R167 PolarHBondContact O-N 3.31Å; F165-R168 PolarHBondContact O-N 2.93Å; F165-N169 WeakPolarHBondContact O-CB 3.31Å; F165-N169 PolarHBondContact O-N 2.98Å; F165-I205 HydrophobicContact CD2-CG2 4.2Å; F165-E209 HydrophobicContact CD2-CB 4.28Å; F165-E209 VanDerWaalsContact CD2-CD 3.42Å; F165-E209 HydrophobicContact CD2-CG 4.02Å; F165-E209 VanDerWaalsContact CD2-OE2 3.28Å; F165-E209 WeakPolarHBondContact CD2-OE2 3.31Å; F165-E209 HydrophobicContact CE2-CB 3.94Å; F165-E209 HydrophobicContact CE2-CG 3.68Å
166	L	97.4	Very high	98	Very high	121 Å²	121	28.2 Å²	28.2	63%	0.634	15%	0.151	S	C	*	.	H	α-helix	trans	-67.9	-28.9	-179.1	-64.9	179.2	0	0	0	113.5	N164 A170 S390	N164-L166 VanDerWaalsContact C-N 3.28Å; N164-L166 PolarHBondContact O-N 3.41Å; L166-A170 WeakPolarHBondContact O-CB 3.4Å; L166-A170 PolarHBondContact O-N 2.85Å; L166-S390 PolarHBondContact O-OG 3.17Å; L166-S390 VanDerWaalsContact O-OG 3.08Å
167	R	98.4	Very high	97.8	Very high	70 Å²	70	30.9 Å²	30.9	26%	0.264	17%	0.165	S	C	.	.	H	α-helix	trans	-72.4	-48.2	175.1	-65.2	-173.6	177.8	-173	-3.4	110.2	N164 F165 N169 A170 I171 D254 D255 G388	N164-R167 HydrophobicContact CB-CB 4.25Å; N164-R167 HydrophobicContact CB-CG 4.34Å; N164-R167 PolarHBondContact O-N 2.96Å; F165-R167 VanDerWaalsContact C-N 3.32Å; F165-R167 PolarHBondContact O-N 3.31Å; R167-N169 VanDerWaalsContact C-N 3.3Å; R167-N169 PolarHBondContact O-N 3.1Å; R167-A170 PolarHBondContact O-N 2.79Å; R167-A170 VanDerWaalsContact O-N 3.14Å; R167-I171 WeakPolarHBondContact O-CG1 3.39Å; R167-I171 PolarHBondContact O-N 3.4Å; R167-D254 HydrophobicContact CB-CB 4.42Å; R167-D254 WeakPolarHBondContact CD-OD1 3.42Å; R167-D254 IonicContact CZ-OD1 2.94Å; R167-D254 IonicContact NE-OD1 3.77Å; R167-D254 IonicContact NH1-OD1 2.69Å; R167-D254 PolarHBondContact NH1-OD1 3.35Å; R167-D255 IonicContact NH1-OD2 3.26Å; R167-G388 PolarHBondContact NE-O 3.37Å; R167-G388 PolarHBondContact NH2-O 3.18Å
168	R	98.5	Very high	97.5	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	18%	0.18	C	C	.	.	H	α-helix	trans	-56.4	-45.7	175	-63.5	-166.2	-71.7	-79.5	5	111.6	S160 A161 P162 N164 F165 A170 I171 R172 F190 E209	S160-R168 WeakPolarHBondContact OG-CG 3.38Å; S160-R168 PolarHBondContact OG-NH1 3.21Å; S160-R168 VanDerWaalsContact OG-NH1 3.14Å; A161-R168 PolarHBondContact O-NH1 3.02Å; P162-R168 PolarHBondContact O-NH2 3.32Å; N164-R168 PolarHBondContact O-N 3.37Å; N164-R168 VanDerWaalsContact O-N 3.13Å; F165-R168 PolarHBondContact O-N 2.93Å; R168-A170 PolarHBondContact O-N 3.3Å; R168-I171 PolarHBondContact O-N 2.74Å; R168-R172 WeakPolarHBondContact O-CG 3.33Å; R168-R172 PolarHBondContact O-N 2.77Å; R168-F190 HydrophobicContact CB-CD1 4.14Å; R168-F190 HydrophobicContact CB-CD2 4.32Å; R168-F190 HydrophobicContact CB-CE1 3.75Å; R168-F190 HydrophobicContact CB-CE2 3.95Å; R168-F190 HydrophobicContact CB-CG 4.41Å; R168-F190 HydrophobicContact CB-CZ 3.64Å; R168-F190 VanDerWaalsContact CD-CG 3.41Å; R168-F190 HydrophobicContact CG-CD1 3.47Å; R168-F190 VanDerWaalsContact CG-CD1 3.47Å; R168-F190 HydrophobicContact CG-CD2 4.23Å; R168-F190 HydrophobicContact CG-CE1 3.53Å; R168-F190 HydrophobicContact CG-CE2 4.28Å; R168-F190 HydrophobicContact CG-CG 3.84Å; R168-F190 HydrophobicContact CG-CZ 3.95Å; R168-E209 IonicContact CZ-OE1 3.02Å; R168-E209 IonicContact CZ-OE2 2.74Å; R168-E209 IonicContact NE-OE1 3.58Å; R168-E209 PolarHBondContact NE-OE1 2.75Å; R168-E209 IonicContact NE-OE2 3.92Å; R168-E209 PolarHBondContact NE-OE2 2.69Å; R168-E209 IonicContact NH2-OE1 3.96Å; R168-E209 IonicContact NH2-OE2 3.92Å; R168-E209 PolarHBondContact NH2-OE2 2.89Å
169	N	98.2	Very high	97.3	Very high	27 Å²	27	36.6 Å²	36.6	14%	0.144	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-40.9	177	-165.5	54.9	0	0	0	112.8	F165 R167 I171 R172 L173	F165-N169 WeakPolarHBondContact O-CB 3.31Å; F165-N169 PolarHBondContact O-N 2.98Å; R167-N169 VanDerWaalsContact C-N 3.3Å; R167-N169 PolarHBondContact O-N 3.1Å; N169-I171 VanDerWaalsContact C-N 3.34Å; N169-I171 PolarHBondContact O-N 2.87Å; N169-R172 PolarHBondContact O-N 3.08Å; N169-L173 VanDerWaalsContact O-CG 3.31Å; N169-L173 WeakPolarHBondContact O-CG 3.39Å; N169-L173 PolarHBondContact O-N 2.93Å; N169-L173 VanDerWaalsContact O-N 3.15Å
170	A	98.6	Very high	97.2	Very high	2 Å²	2	36 Å²	36	2%	0.017	19%	0.193	C	C	.	.	H	α-helix	trans	-63.6	-40	175.3	0	0	0	0	0	112.1	L166 R167 R168 L173 T174 Q393 F394	L166-A170 WeakPolarHBondContact O-CB 3.4Å; L166-A170 PolarHBondContact O-N 2.85Å; R167-A170 PolarHBondContact O-N 2.79Å; R167-A170 VanDerWaalsContact O-N 3.14Å; R168-A170 PolarHBondContact O-N 3.3Å; A170-L173 PolarHBondContact O-N 3.02Å; A170-T174 WeakPolarHBondContact O-CB 3.46Å; A170-T174 WeakPolarHBondContact O-CG2 3.37Å; A170-T174 PolarHBondContact O-N 3.12Å; A170-T174 VanDerWaalsContact O-N 3.13Å; A170-T174 PolarHBondContact O-OG1 2.95Å; A170-Q393 HydrophobicContact CB-CB 4.41Å; A170-Q393 HydrophobicContact CB-CG 4.46Å; A170-F394 HydrophobicContact CB-CE2 4.09Å
171	I	98.7	Very high	97.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-49.3	175.9	-68.9	167.3	0	0	0	110.7	I158 R167 R168 N169 L173 T174 W175 G176 F190 D254	I158-I171 HydrophobicContact CD1-CG2 4.04Å; I158-I171 HydrophobicContact CG2-CD1 4.19Å; R167-I171 WeakPolarHBondContact O-CG1 3.39Å; R167-I171 PolarHBondContact O-N 3.4Å; R168-I171 PolarHBondContact O-N 2.74Å; N169-I171 VanDerWaalsContact C-N 3.34Å; N169-I171 PolarHBondContact O-N 2.87Å; I171-L173 PolarHBondContact O-N 3.13Å; I171-T174 CarbonylContact O-C 3.53Å; I171-T174 PolarHBondContact O-N 3.05Å; I171-T174 PolarHBondContact O-OG1 3.43Å; I171-W175 HydrophobicContact CB-CZ2 4.1Å; I171-W175 HydrophobicContact CD1-CH2 4.17Å; I171-W175 HydrophobicContact CD1-CZ2 3.61Å; I171-W175 HydrophobicContact CG1-CH2 4.3Å; I171-W175 HydrophobicContact CG1-CZ2 3.52Å; I171-W175 HydrophobicContact CG2-CD2 4Å; I171-W175 HydrophobicContact CG2-CE3 4.01Å; I171-W175 HydrophobicContact CG2-CH2 3.5Å; I171-W175 VanDerWaalsContact CG2-CH2 3.5Å; I171-W175 HydrophobicContact CG2-CZ2 3.48Å; I171-W175 VanDerWaalsContact CG2-CZ2 3.48Å; I171-W175 HydrophobicContact CG2-CZ3 3.76Å; I171-G176 VanDerWaalsContact O-CA 3.26Å; I171-G176 WeakPolarHBondContact O-CA 3.32Å; I171-G176 PolarHBondContact O-N 3.25Å; I171-F190 HydrophobicContact CB-CE1 4.37Å; I171-F190 HydrophobicContact CB-CZ 4.19Å; I171-F190 HydrophobicContact CD1-CE1 4.1Å; I171-F190 HydrophobicContact CG2-CE1 4.27Å; I171-F190 HydrophobicContact CG2-CZ 4.06Å; I171-D254 HydrophobicContact CD1-CB 4.05Å
172	R	98.1	Very high	96.9	Very high	30 Å²	30	36.2 Å²	36.2	11%	0.113	20%	0.198	C	C	.	.	H	α-helix	trans	-53.9	-38.2	176.4	-71.3	177.4	-173.1	109.2	2.1	112.8	R168 N169 T174 F190 E209 D215	R168-R172 WeakPolarHBondContact O-CG 3.33Å; R168-R172 PolarHBondContact O-N 2.77Å; N169-R172 PolarHBondContact O-N 3.08Å; R172-T174 VanDerWaalsContact C-N 3.34Å; R172-F190 HydrophobicContact CG-CE2 4.07Å; R172-F190 HydrophobicContact CG-CZ 4.28Å; R172-E209 IonicContact CZ-OE1 3.75Å; R172-E209 VanDerWaalsContact CZ-OE1 3.3Å; R172-E209 IonicContact NH1-OE1 3.4Å; R172-E209 PolarHBondContact NH1-OE1 2.93Å; R172-E209 IonicContact NH2-OE1 3.81Å; R172-E209 PolarHBondContact NH2-OE1 3.41Å; R172-D215 IonicContact CZ-OD1 2.81Å; R172-D215 IonicContact CZ-OD2 3.42Å; R172-D215 IonicContact NE-OD1 2.69Å; R172-D215 IonicContact NE-OD2 2.67Å; R172-D215 PolarHBondContact NE-OD2 2.82Å; R172-D215 IonicContact NH2-OD1 3.92Å; R172-D215 PolarHBondContact NH2-OD1 3.07Å; R172-D215 IonicContact NH2-OD2 3.81Å; R172-D215 PolarHBondContact NH2-OD2 3.02Å
173	L	97.1	Very high	96.6	Very high	93 Å²	93	36.7 Å²	36.7	49%	0.487	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-3.6	-178.6	-65.5	173.4	0	0	0	113.9	N169 A170 I171 F394	N169-L173 VanDerWaalsContact O-CG 3.31Å; N169-L173 WeakPolarHBondContact O-CG 3.39Å; N169-L173 PolarHBondContact O-N 2.93Å; N169-L173 VanDerWaalsContact O-N 3.15Å; A170-L173 PolarHBondContact O-N 3.02Å; I171-L173 PolarHBondContact O-N 3.13Å; L173-F394 HydrophobicContact CB-CE1 3.86Å; L173-F394 HydrophobicContact CB-CZ 3.79Å; L173-F394 HydrophobicContact CD1-CZ 4.03Å
174	T	98.1	Very high	96.5	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-116.6	-179.5	57.8	0	0	0	0	110.2	A170 I171 R172 G176 N177 Q393 F394 W397	A170-T174 WeakPolarHBondContact O-CB 3.46Å; A170-T174 WeakPolarHBondContact O-CG2 3.37Å; A170-T174 PolarHBondContact O-N 3.12Å; A170-T174 VanDerWaalsContact O-N 3.13Å; A170-T174 PolarHBondContact O-OG1 2.95Å; I171-T174 CarbonylContact O-C 3.53Å; I171-T174 PolarHBondContact O-N 3.05Å; I171-T174 PolarHBondContact O-OG1 3.43Å; R172-T174 VanDerWaalsContact C-N 3.34Å; T174-G176 PolarHBondContact O-N 3.49Å; T174-N177 WeakPolarHBondContact O-CB 3.4Å; T174-N177 PolarHBondContact O-N 2.92Å; T174-N177 VanDerWaalsContact O-N 3.14Å; T174-Q393 HydrophobicContact CG2-CB 4.49Å; T174-F394 HydrophobicContact CG2-CD1 3.47Å; T174-F394 VanDerWaalsContact CG2-CD1 3.47Å; T174-F394 HydrophobicContact CG2-CE1 3.55Å; T174-F394 HydrophobicContact CG2-CG 4.12Å; T174-F394 HydrophobicContact CG2-CZ 4.25Å; T174-W397 HydrophobicContact CG2-CB 3.98Å; T174-W397 HydrophobicContact CG2-CD2 4.28Å; T174-W397 HydrophobicContact CG2-CG 3.96Å; T174-W397 VanDerWaalsContact O-CH2 3.27Å; T174-W397 WeakPolarHBondContact O-CH2 3.31Å; T174-W397 WeakPolarHBondContact O-CZ3 3.46Å
175	W	98	Very high	96.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-16.4	-173	60.5	-101.9	0	0	0	114.3	I156 I158 I171 N177 W181 V252 Y256 F257 I258 P260 Q393 W397	I156-W175 HydrophobicContact CG2-CZ3 4.45Å; I158-W175 HydrophobicContact CD1-CH2 3.83Å; I158-W175 HydrophobicContact CD1-CZ3 4.02Å; I158-W175 HydrophobicContact CG1-CH2 4.05Å; I158-W175 HydrophobicContact CG1-CZ3 4.43Å; I171-W175 HydrophobicContact CB-CZ2 4.1Å; I171-W175 HydrophobicContact CD1-CH2 4.17Å; I171-W175 HydrophobicContact CD1-CZ2 3.61Å; I171-W175 HydrophobicContact CG1-CH2 4.3Å; I171-W175 HydrophobicContact CG1-CZ2 3.52Å; I171-W175 HydrophobicContact CG2-CD2 4Å; I171-W175 HydrophobicContact CG2-CE3 4.01Å; I171-W175 HydrophobicContact CG2-CH2 3.5Å; I171-W175 VanDerWaalsContact CG2-CH2 3.5Å; I171-W175 HydrophobicContact CG2-CZ2 3.48Å; I171-W175 VanDerWaalsContact CG2-CZ2 3.48Å; I171-W175 HydrophobicContact CG2-CZ3 3.76Å; W175-N177 VanDerWaalsContact C-N 3.27Å; W175-W181 PolarHBondContact O-NE1 3.41Å; W175-V252 HydrophobicContact CH2-CG1 4Å; W175-Y256 PolarHBondContact NE1-O 3.02Å; W175-F257 AromaticContact CD1-CD2 3.86Å; W175-I258 HydrophobicContact CB-CB 4.41Å; W175-I258 VanDerWaalsContact CB-O 3.22Å; W175-I258 WeakPolarHBondContact CB-O 3.39Å; W175-I258 HydrophobicContact CD2-CB 3.75Å; W175-I258 HydrophobicContact CD2-CG1 4.02Å; W175-I258 HydrophobicContact CE3-CB 3.79Å; W175-I258 HydrophobicContact CE3-CG1 3.92Å; W175-I258 HydrophobicContact CG-CB 4.03Å; W175-I258 HydrophobicContact CH2-CG1 4.02Å; W175-I258 HydrophobicContact CZ2-CG1 4.1Å; W175-I258 HydrophobicContact CZ3-CB 4.33Å; W175-I258 HydrophobicContact CZ3-CG1 3.93Å; W175-P260 HydrophobicContact CB-CG 4.03Å; W175-Q393 VanDerWaalsContact CD1-OE1 3.24Å; W175-W397 HydrophobicContact CB-CE3 4.28Å; W175-W397 HydrophobicContact CB-CZ3 3.94Å
176	G	97.8	Very high	96.2	Very high	8 Å²	8	32.6 Å²	32.6	8%	0.082	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	7.6	173.2	0	0	0	0	0	114.3	I171 T174 D178 H188	I171-G176 VanDerWaalsContact O-CA 3.26Å; I171-G176 WeakPolarHBondContact O-CA 3.32Å; I171-G176 PolarHBondContact O-N 3.25Å; T174-G176 PolarHBondContact O-N 3.49Å; G176-D178 PolarHBondContact O-N 3.47Å; G176-H188 PolarHBondContact O-ND1 3.08Å
177	N	95.8	Very high	96.2	Very high	56 Å²	56	26.9 Å²	26.9	30%	0.299	14%	0.142	S	C	.	.			trans	-77.7	117.1	173.3	-176.7	-21.5	0	0	0	110.2	T174 W175 L179 C180 W181	T174-N177 WeakPolarHBondContact O-CB 3.4Å; T174-N177 PolarHBondContact O-N 2.92Å; T174-N177 VanDerWaalsContact O-N 3.14Å; W175-N177 VanDerWaalsContact C-N 3.27Å; N177-L179 PolarHBondContact O-N 3.35Å; N177-L179 VanDerWaalsContact O-N 3.1Å; N177-L179 WeakPolarHBondContact OD1-CB 3.4Å; N177-L179 PolarHBondContact OD1-N 3.37Å; N177-C180 HydrophobicContact CB-CB 4.37Å; N177-C180 WeakPolarHBondContact O-CB 3.33Å; N177-C180 PolarHBondContact O-N 3.28Å; N177-W181 VanDerWaalsContact O-CD1 3.28Å
178	D	92.5	Very high	96.2	Very high	60 Å²	60	24 Å²	24	32%	0.321	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-56	-28.5	-177.2	-60.4	-19.2	0	0	0	113.5	G176 C180 H188 I410	G176-D178 PolarHBondContact O-N 3.47Å; D178-C180 PolarHBondContact O-N 2.92Å; D178-H188 IonicContact OD1-CE1 3.75Å; D178-H188 PolarHBondContact OD1-CE1 3.48Å; D178-H188 IonicContact OD1-CG 3.38Å; D178-H188 IonicContact OD1-ND1 3.7Å; D178-H188 PolarHBondContact OD1-ND1 3.27Å; D178-I410 HydrophobicContact CB-CD1 4.09Å
179	L	93.4	Very high	96.2	Very high	60 Å²	60	24 Å²	24	31%	0.314	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-71.9	-16.6	177.7	-63.8	178.6	0	0	0	113.2	N177 W181 C406 V407 I410	N177-L179 PolarHBondContact O-N 3.35Å; N177-L179 VanDerWaalsContact O-N 3.1Å; N177-L179 WeakPolarHBondContact OD1-CB 3.4Å; N177-L179 PolarHBondContact OD1-N 3.37Å; L179-W181 PolarHBondContact O-N 3.44Å; L179-C406 CarbonylContact O-C 3.48Å; L179-C406 WeakPolarHBondContact O-CA 3.25Å; L179-V407 WeakPolarHBondContact O-CG2 3.32Å; L179-V407 PolarHBondContact O-N 3.49Å; L179-I410 HydrophobicContact CD2-CG1 4.08Å
180	C	96.5	Very high	96.2	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.014	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-101.2	27.3	-169.9	-56.5	0	0	0	0	114.1	N177 D178 P260 W397 F405 C406	N177-C180 HydrophobicContact CB-CB 4.37Å; N177-C180 WeakPolarHBondContact O-CB 3.33Å; N177-C180 PolarHBondContact O-N 3.28Å; D178-C180 PolarHBondContact O-N 2.92Å; C180-P260 VanDerWaalsContact O-CB 3.23Å; C180-P260 WeakPolarHBondContact O-CB 3.41Å; C180-W397 HydrophobicContact CB-CH2 3.62Å; C180-W397 HydrophobicContact CB-CZ2 4.24Å; C180-F405 VanDerWaalsContact O-CD1 3.3Å; C180-F405 WeakPolarHBondContact O-CD1 3.3Å; C180-C406 HydrophobicContact CB-CB 4.03Å; C180-C406 WeakPolarHBondContact CB-SG 3.37Å; C180-C406 WeakPolarHBondContact SG-CB 3.47Å; C180-C406 CovalentContact SG-SG 2.03Å; C180-C406 PolarHBondContact SG-SG 3.44Å
181	W	96.1	Very high	96.2	Very high	1 Å²	1	22.7 Å²	22.7	0%	0.004	13%	0.125	C	C	.	.	S	Bend	trans	-113.8	26.5	179.7	-73.8	81.4	0	0	0	112.6	L154 I156 W175 N177 L179 G183 R184 V186 H188 I258 P260 V263 V264	L154-W181 HydrophobicContact CD2-CH2 4.38Å; L154-W181 HydrophobicContact CD2-CZ3 3.89Å; I156-W181 HydrophobicContact CD1-CH2 3.22Å; I156-W181 HydrophobicContact CD1-CZ2 3.35Å; I156-W181 HydrophobicContact CD1-CZ3 4.07Å; W175-W181 PolarHBondContact O-NE1 3.41Å; N177-W181 VanDerWaalsContact O-CD1 3.28Å; L179-W181 PolarHBondContact O-N 3.44Å; W181-G183 VanDerWaalsContact C-N 3.29Å; W181-G183 PolarHBondContact O-N 3.04Å; W181-R184 WeakPolarHBondContact O-CB 3.42Å; W181-R184 VanDerWaalsContact O-CG 3.27Å; W181-R184 WeakPolarHBondContact O-CG 3.21Å; W181-R184 PolarHBondContact O-N 2.98Å; W181-R184 VanDerWaalsContact O-N 3.1Å; W181-V186 HydrophobicContact CB-CB 4.45Å; W181-V186 HydrophobicContact CB-CG2 3.81Å; W181-V186 HydrophobicContact CD2-CB 4.1Å; W181-V186 HydrophobicContact CD2-CG1 4.14Å; W181-V186 HydrophobicContact CD2-CG2 3.69Å; W181-V186 HydrophobicContact CE3-CB 4.43Å; W181-V186 HydrophobicContact CE3-CG1 4.35Å; W181-V186 HydrophobicContact CE3-CG2 3.65Å; W181-V186 HydrophobicContact CG-CB 4.08Å; W181-V186 HydrophobicContact CG-CG2 3.76Å; W181-V186 HydrophobicContact CZ2-CG1 4.48Å; W181-V186 HydrophobicContact CZ3-CG2 4.44Å; W181-H188 AromaticContact CD1-CE1 3.78Å; W181-H188 AromaticContact CE2-CE1 3.84Å; W181-H188 AromaticContact CE2-NE2 3.45Å; W181-H188 AromaticContact CZ2-NE2 3.51Å; W181-H188 AromaticContact NE1-CE1 3.24Å; W181-H188 PolarHBondContact NE1-CE1 3.06Å; W181-H188 AromaticContact NE1-NE2 3.2Å; W181-H188 PolarHBondContact NE1-NE2 3.5Å; W181-H188 VanDerWaalsContact NE1-NE2 3.2Å; W181-I258 HydrophobicContact CH2-CG2 3.97Å; W181-I258 HydrophobicContact CZ2-CG2 4.33Å; W181-P260 HydrophobicContact CD2-CB 3.83Å; W181-P260 HydrophobicContact CD2-CG 4.49Å; W181-P260 HydrophobicContact CE3-CB 4.03Å; W181-P260 HydrophobicContact CG-CB 4.3Å; W181-P260 HydrophobicContact CH2-CB 4.36Å; W181-P260 HydrophobicContact CZ2-CB 4.16Å; W181-P260 HydrophobicContact CZ2-CG 4.15Å; W181-P260 HydrophobicContact CZ3-CB 4.32Å; W181-V263 HydrophobicContact CH2-CB 4.13Å; W181-V263 HydrophobicContact CH2-CG1 4.08Å; W181-V263 HydrophobicContact CH2-CG2 4.27Å; W181-V263 HydrophobicContact CZ3-CB 3.71Å; W181-V263 HydrophobicContact CZ3-CG1 3.58Å; W181-V263 HydrophobicContact CZ3-CG2 4.35Å; W181-V264 HydrophobicContact CE3-CG2 3.9Å
182	G	93	Very high	96.2	Very high	32 Å²	32	22.7 Å²	22.7	33%	0.33	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.5	34	175.8	0	0	0	0	0	113.4	R184	G182-R184 VanDerWaalsContact C-N 3.25Å; G182-R184 PolarHBondContact O-N 3.14Å
183	G	92.3	Very high	96.2	Very high	18 Å²	18	21.2 Å²	21.2	19%	0.186	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	0.9	-176.2	0	0	0	0	0	115.1	W181	W181-G183 VanDerWaalsContact C-N 3.29Å; W181-G183 PolarHBondContact O-N 3.04Å
184	R	93.1	Very high	96.1	Very high	65 Å²	65	19 Å²	19	25%	0.245	11%	0.108	C	C	.	.			trans	-74.9	144.6	176	-54	-53.7	-72.7	-116.1	-7.1	111.3	E153 W181 G182 V186 V264 E268	E153-R184 VanDerWaalsContact CD-NE 3.35Å; E153-R184 IonicContact OE1-CZ 3.8Å; E153-R184 IonicContact OE1-NE 2.61Å; E153-R184 PolarHBondContact OE1-NE 2.93Å; E153-R184 IonicContact OE1-NH2 3.23Å; E153-R184 IonicContact OE2-CZ 2.6Å; E153-R184 VanDerWaalsContact OE2-CZ 3.23Å; E153-R184 IonicContact OE2-NE 3.63Å; E153-R184 PolarHBondContact OE2-NE 3.39Å; E153-R184 IonicContact OE2-NH2 2.67Å; E153-R184 PolarHBondContact OE2-NH2 3.13Å; W181-R184 WeakPolarHBondContact O-CB 3.42Å; W181-R184 VanDerWaalsContact O-CG 3.27Å; W181-R184 WeakPolarHBondContact O-CG 3.21Å; W181-R184 PolarHBondContact O-N 2.98Å; W181-R184 VanDerWaalsContact O-N 3.1Å; G182-R184 VanDerWaalsContact C-N 3.25Å; G182-R184 PolarHBondContact O-N 3.14Å; R184-V186 HydrophobicContact CB-CG2 4.22Å; R184-V186 PolarHBondContact O-N 3.37Å; R184-V264 HydrophobicContact CG-CG1 3.99Å; R184-V264 HydrophobicContact CG-CG2 4.11Å; R184-E268 IonicContact CZ-OE1 3.6Å; R184-E268 IonicContact NH1-OE1 3.64Å; R184-E268 PolarHBondContact NH1-OE1 3.44Å
185	R	93.6	Very high	95.9	Very high	32 Å²	32	19.1 Å²	19.1	12%	0.121	11%	0.108	C	C	.	.			trans	-85.2	93.3	179.7	-67.1	167.3	-60.9	-84.4	3.4	110.1	E150 A151 E153 I410	E150-R185 IonicContact OE2-CZ 2.77Å; E150-R185 IonicContact OE2-NE 3.9Å; E150-R185 IonicContact OE2-NH1 2.77Å; E150-R185 PolarHBondContact OE2-NH1 3.13Å; E150-R185 IonicContact OE2-NH2 3.73Å; E150-R185 PolarHBondContact OE2-NH2 3.37Å; A151-R185 PolarHBondContact O-NE 3.4Å; E153-R185 PolarHBondContact N-O 2.88Å; E153-R185 IonicContact OE1-CZ 3.67Å; E153-R185 PolarHBondContact OE1-N 3.43Å; E153-R185 IonicContact OE1-NH2 2.81Å; R185-I410 HydrophobicContact CG-CG2 3.83Å
186	V	96.1	Very high	95.6	Very high	6 Å²	6	21.9 Å²	21.9	4%	0.036	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	132.9	-179.2	-175.3	0	0	0	0	109.7	L154 I156 W181 R184	L154-V186 HydrophobicContact CB-CG1 4.21Å; L154-V186 HydrophobicContact CB-CG2 4.19Å; L154-V186 HydrophobicContact CD2-CG1 3.95Å; L154-V186 HydrophobicContact CD2-CG2 4.3Å; L154-V186 HydrophobicContact CG-CG1 4.11Å; L154-V186 WeakPolarHBondContact O-CA 3.33Å; I156-V186 HydrophobicContact CD1-CG1 3.66Å; I156-V186 HydrophobicContact CG1-CG1 3.71Å; W181-V186 HydrophobicContact CB-CB 4.45Å; W181-V186 HydrophobicContact CB-CG2 3.81Å; W181-V186 HydrophobicContact CD2-CB 4.1Å; W181-V186 HydrophobicContact CD2-CG1 4.14Å; W181-V186 HydrophobicContact CD2-CG2 3.69Å; W181-V186 HydrophobicContact CE3-CB 4.43Å; W181-V186 HydrophobicContact CE3-CG1 4.35Å; W181-V186 HydrophobicContact CE3-CG2 3.65Å; W181-V186 HydrophobicContact CG-CB 4.08Å; W181-V186 HydrophobicContact CG-CG2 3.76Å; W181-V186 HydrophobicContact CZ2-CG1 4.48Å; W181-V186 HydrophobicContact CZ3-CG2 4.44Å; R184-V186 HydrophobicContact CB-CG2 4.22Å; R184-V186 PolarHBondContact O-N 3.37Å
187	I	96.1	Very high	95.2	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	128.2	172.4	-71.5	173.6	0	0	0	108.9	K140 C141 I144 P152 L154 I155 I156 L189	K140-I187 HydrophobicContact CG-CD1 4.38Å; K140-I187 HydrophobicContact CG-CG2 4.01Å; C141-I187 HydrophobicContact CB-CD1 4.17Å; C141-I187 WeakPolarHBondContact SG-CD1 3.48Å; I144-I187 HydrophobicContact CD1-CD1 3.73Å; I144-I187 HydrophobicContact CD1-CG1 3.31Å; P152-I187 HydrophobicContact CB-CD1 3.69Å; P152-I187 HydrophobicContact CB-CG1 4.02Å; P152-I187 HydrophobicContact CG-CD1 3.41Å; P152-I187 VanDerWaalsContact CG-CD1 3.41Å; P152-I187 HydrophobicContact CG-CG1 4.13Å; L154-I187 PolarHBondContact O-N 3.4Å; I155-I187 CarbonylContact C-O 3.49Å; I155-I187 HydrophobicContact CG2-CB 4.34Å; I155-I187 HydrophobicContact CG2-CG2 4.12Å; I156-I187 PolarHBondContact N-O 3.04Å; I187-L189 HydrophobicContact CG2-CD1 3.86Å; I187-L189 HydrophobicContact CG2-CG 3.72Å
188	H	98	Very high	95	Very high	10 Å²	10	30.3 Å²	30.3	5%	0.046	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	125.6	168.8	-55.6	89.1	0	0	0	109.6	I158 G176 D178 W181	I158-H188 HydrophobicContact CD1-CB 4.29Å; G176-H188 PolarHBondContact O-ND1 3.08Å; D178-H188 IonicContact OD1-CE1 3.75Å; D178-H188 PolarHBondContact OD1-CE1 3.48Å; D178-H188 IonicContact OD1-CG 3.38Å; D178-H188 IonicContact OD1-ND1 3.7Å; D178-H188 PolarHBondContact OD1-ND1 3.27Å; W181-H188 AromaticContact CD1-CE1 3.78Å; W181-H188 AromaticContact CE2-CE1 3.84Å; W181-H188 AromaticContact CE2-NE2 3.45Å; W181-H188 AromaticContact CZ2-NE2 3.51Å; W181-H188 AromaticContact NE1-CE1 3.24Å; W181-H188 PolarHBondContact NE1-CE1 3.06Å; W181-H188 AromaticContact NE1-NE2 3.2Å; W181-H188 PolarHBondContact NE1-NE2 3.5Å; W181-H188 VanDerWaalsContact NE1-NE2 3.2Å
189	L	98.5	Very high	95.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	128.7	174.7	-72.3	169.7	0	0	0	110.5	K140 I155 I156 L157 I158 I187 D215 I217 W238	K140-L189 HydrophobicContact CD-CD2 4.49Å; K140-L189 HydrophobicContact CG-CD2 4.25Å; I155-L189 HydrophobicContact CG2-CD1 4.5Å; I156-L189 PolarHBondContact O-N 3.13Å; L157-L189 WeakPolarHBondContact CA-O 3.27Å; L157-L189 HydrophobicContact CD2-CB 3.98Å; L157-L189 HydrophobicContact CD2-CD1 4.36Å; I158-L189 PolarHBondContact N-O 3.21Å; I187-L189 HydrophobicContact CG2-CD1 3.86Å; I187-L189 HydrophobicContact CG2-CG 3.72Å; L189-D215 CarbonylContact C-O 3.45Å; L189-D215 WeakPolarHBondContact CA-O 3.48Å; L189-D215 HydrophobicContact CD2-CB 4.47Å; L189-I217 HydrophobicContact CD1-CG2 4.49Å; L189-I217 HydrophobicContact CD2-CG2 4.42Å; L189-W238 HydrophobicContact CD1-CE3 4.16Å; L189-W238 HydrophobicContact CD1-CH2 3.13Å; L189-W238 HydrophobicContact CD1-CZ2 3.8Å; L189-W238 HydrophobicContact CD1-CZ3 3.33Å
190	F	98.8	Very high	95.2	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	129.6	172.5	-61.5	-77	0	0	0	110.7	I158 R168 I171 R172 L192 D215 I216 I217	I158-F190 HydrophobicContact CB-CD1 3.67Å; I158-F190 HydrophobicContact CB-CE1 3.99Å; I158-F190 HydrophobicContact CD1-CD1 3.99Å; I158-F190 HydrophobicContact CD1-CE1 3.6Å; I158-F190 HydrophobicContact CD1-CZ 3.99Å; I158-F190 HydrophobicContact CG1-CD1 4.44Å; I158-F190 HydrophobicContact CG1-CE1 4.41Å; I158-F190 HydrophobicContact CG2-CD1 3.68Å; I158-F190 HydrophobicContact CG2-CE1 3.75Å; I158-F190 CarbonylContact O-C 3.51Å; I158-F190 WeakPolarHBondContact O-CA 3.49Å; R168-F190 HydrophobicContact CB-CD1 4.14Å; R168-F190 HydrophobicContact CB-CD2 4.32Å; R168-F190 HydrophobicContact CB-CE1 3.75Å; R168-F190 HydrophobicContact CB-CE2 3.95Å; R168-F190 HydrophobicContact CB-CG 4.41Å; R168-F190 HydrophobicContact CB-CZ 3.64Å; R168-F190 VanDerWaalsContact CD-CG 3.41Å; R168-F190 HydrophobicContact CG-CD1 3.47Å; R168-F190 VanDerWaalsContact CG-CD1 3.47Å; R168-F190 HydrophobicContact CG-CD2 4.23Å; R168-F190 HydrophobicContact CG-CE1 3.53Å; R168-F190 HydrophobicContact CG-CE2 4.28Å; R168-F190 HydrophobicContact CG-CG 3.84Å; R168-F190 HydrophobicContact CG-CZ 3.95Å; I171-F190 HydrophobicContact CB-CE1 4.37Å; I171-F190 HydrophobicContact CB-CZ 4.19Å; I171-F190 HydrophobicContact CD1-CE1 4.1Å; I171-F190 HydrophobicContact CG2-CE1 4.27Å; I171-F190 HydrophobicContact CG2-CZ 4.06Å; R172-F190 HydrophobicContact CG-CE2 4.07Å; R172-F190 HydrophobicContact CG-CZ 4.28Å; F190-L192 HydrophobicContact CB-CD1 3.66Å; F190-D215 WeakPolarHBondContact CE2-OD2 3.41Å; F190-D215 PolarHBondContact N-O 3Å; F190-I216 HydrophobicContact CB-CG1 4.33Å; F190-I217 PolarHBondContact O-N 2.98Å
191	L	98.5	Very high	95.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	109.2	-174.3	-177.7	65	0	0	0	110.1	I158 K159 S160 I217 K231 F234 F251	I158-L191 PolarHBondContact O-N 3.36Å; K159-L191 HydrophobicContact CG-CD2 4.21Å; S160-L191 PolarHBondContact N-O 2.78Å; L191-I217 HydrophobicContact CD1-CD1 3.74Å; L191-I217 HydrophobicContact CD1-CG1 3.89Å; L191-K231 HydrophobicContact CD2-CG 3.74Å; L191-K231 WeakPolarHBondContact CD2-O 3.44Å; L191-K231 HydrophobicContact CG-CD 4.31Å; L191-K231 HydrophobicContact CG-CG 3.59Å; L191-K231 WeakPolarHBondContact O-CD 3.29Å; L191-F234 HydrophobicContact CD1-CB 4.44Å; L191-F234 HydrophobicContact CD1-CD1 3.2Å; L191-F234 HydrophobicContact CD1-CE1 3.54Å; L191-F234 HydrophobicContact CD1-CG 4.06Å; L191-F234 HydrophobicContact CG-CD1 4.4Å; L191-F251 HydrophobicContact CD2-CE1 4.2Å
192	L	98.5	Very high	95.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	151	-170.8	-81.5	65.3	0	0	0	112.2	P162 F190 L206 I216 I217 Q218 Q219	P162-L192 HydrophobicContact CB-CD2 4.49Å; P162-L192 HydrophobicContact CG-CD2 4.31Å; F190-L192 HydrophobicContact CB-CD1 3.66Å; L192-L206 HydrophobicContact CD2-CD1 3.52Å; L192-L206 HydrophobicContact CD2-CD2 4.09Å; L192-L206 HydrophobicContact CD2-CG 4.46Å; L192-I216 HydrophobicContact CD1-CG2 4.33Å; L192-I216 HydrophobicContact CD2-CG2 4.09Å; L192-I217 PolarHBondContact N-O 2.91Å; L192-Q218 HydrophobicContact CB-CG 4.23Å; L192-Q218 WeakPolarHBondContact O-CA 3.29Å; L192-Q219 PolarHBondContact O-N 3.34Å
193	G	97.8	Very high	95.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-170	161.4	0	0	0	0	0	112.1	Q218 Q219 F221 D223	G193-Q218 WeakPolarHBondContact O-CG 3.26Å; G193-Q218 PolarHBondContact O-NE2 3.49Å; G193-Q219 CarbonylContact C-O 3.53Å; G193-Q219 WeakPolarHBondContact CA-O 3.23Å; G193-F221 CarbonylContact C-O 3.51Å; G193-D223 PolarHBondContact N-OD2 3.11Å
194	N	96.5	Very high	95.5	Very high	46 Å²	46	52.6 Å²	52.6	25%	0.246	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	149	179.5	-163.6	8.2	0	0	0	112.5	L134 Q219 D220 F221	L134-N194 HydrophobicContact CD1-CB 4.32Å; N194-Q219 PolarHBondContact N-O 3.04Å; N194-D220 PolarHBondContact ND2-OD1 3.4Å; N194-F221 WeakPolarHBondContact CB-O 3.47Å; N194-F221 PolarHBondContact N-O 2.83Å
195	V	94.1	Very high	95.6	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.012	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-76.7	137.1	167.7	177.6	0	0	0	0	108.8	P162 S197 N199 L202 K203 L206	P162-V195 HydrophobicContact CB-CG2 3.63Å; P162-V195 HydrophobicContact CG-CG2 3.97Å; V195-S197 PolarHBondContact O-N 3.11Å; V195-N199 HydrophobicContact CG1-CB 4.03Å; V195-L202 HydrophobicContact CG1-CB 3.9Å; V195-L202 HydrophobicContact CG1-CD2 3.98Å; V195-L202 HydrophobicContact CG1-CG 3.92Å; V195-L202 HydrophobicContact CG2-CD2 4.48Å; V195-L202 HydrophobicContact CG2-CG 4.14Å; V195-K203 HydrophobicContact CB-CG 3.76Å; V195-K203 HydrophobicContact CG1-CG 3.63Å; V195-K203 HydrophobicContact CG2-CG 4.3Å; V195-L206 HydrophobicContact CG2-CD2 3.85Å
196	P	90.8	Very high	95.8	Very high	58 Å²	58	51 Å²	51	38%	0.377	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-49.9	137.4	172.7	-29.3	36.5	0	0	0	112.4	N198 N199	P196-N198 WeakPolarHBondContact CB-OD1 3.37Å; P196-N198 PolarHBondContact O-N 3.34Å; P196-N198 VanDerWaalsContact O-N 3.08Å; P196-N199 PolarHBondContact O-N 3.12Å
197	S	88.5	Confident	95.8	Very high	98 Å²	98	58.3 Å²	58.3	69%	0.685	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.1	-172	54	0	0	0	0	113.7	V195 N199 K203	V195-S197 PolarHBondContact O-N 3.11Å; S197-N199 VanDerWaalsContact C-N 3.34Å; S197-N199 PolarHBondContact O-N 3.17Å; S197-K203 PolarHBondContact O-NZ 3.25Å
198	N	92.1	Very high	95.9	Very high	144 Å²	144	62.2 Å²	62.2	77%	0.77	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-1.2	178.8	65.2	-12	0	0	0	114.9	P196	P196-N198 WeakPolarHBondContact CB-OD1 3.37Å; P196-N198 PolarHBondContact O-N 3.34Å; P196-N198 VanDerWaalsContact O-N 3.08Å
199	N	94.8	Very high	95.9	Very high	62 Å²	62	61.9 Å²	61.9	33%	0.332	30%	0.3	S	S	.	.			trans	-111.4	65.3	-175.6	-162.7	-17.4	0	0	0	112.5	V195 P196 S197 R201 L202 K203	V195-N199 HydrophobicContact CG1-CB 4.03Å; P196-N199 PolarHBondContact O-N 3.12Å; S197-N199 VanDerWaalsContact C-N 3.34Å; S197-N199 PolarHBondContact O-N 3.17Å; N199-R201 VanDerWaalsContact C-N 3.26Å; N199-R201 PolarHBondContact O-N 2.92Å; N199-L202 HydrophobicContact CB-CB 4.24Å; N199-L202 PolarHBondContact O-N 2.86Å; N199-L202 VanDerWaalsContact O-N 3.12Å; N199-L202 WeakPolarHBondContact OD1-CB 3.43Å; N199-L202 PolarHBondContact OD1-N 2.91Å; N199-L202 VanDerWaalsContact OD1-N 3.11Å; N199-K203 PolarHBondContact O-N 3.23Å; N199-K203 VanDerWaalsContact O-N 3.12Å
200	E	94.9	Very high	95.9	Very high	119 Å²	119	62.5 Å²	62.5	56%	0.556	30%	0.304	S	S	*	.	H	α-helix	trans	-58.1	-35.9	-179.8	-68.6	-54.6	135.2	0	0	113.3	L202 K203 Y204	E200-L202 VanDerWaalsContact C-N 3.34Å; E200-L202 PolarHBondContact O-N 3.23Å; E200-K203 PolarHBondContact O-N 3.42Å; E200-K203 IonicContact OE1-NZ 2.82Å; E200-K203 PolarHBondContact OE1-NZ 3.35Å; E200-Y204 PolarHBondContact O-N 2.92Å
201	R	96.4	Very high	95.8	Very high	199 Å²	199	70.5 Å²	70.5	75%	0.751	34%	0.335	S	S	*	.	H	α-helix	trans	-59.8	-45.1	175.8	-177.1	178.7	178.8	-178.8	0.5	111.4	N199 Y204 I205	N199-R201 VanDerWaalsContact C-N 3.26Å; N199-R201 PolarHBondContact O-N 2.92Å; R201-Y204 PolarHBondContact O-N 2.79Å; R201-I205 HydrophobicContact CG-CD1 4.02Å; R201-I205 VanDerWaalsContact O-CG1 3.32Å; R201-I205 WeakPolarHBondContact O-CG1 3.48Å; R201-I205 PolarHBondContact O-N 3.11Å
202	L	96.2	Very high	95.8	Very high	24 Å²	24	73.7 Å²	73.7	13%	0.126	36%	0.355	C	S	.	.	H	α-helix	trans	-69.7	-37	179.4	-176.9	56.2	0	0	0	111.9	P162 V195 N199 E200 Y204 I205 L206	P162-L202 HydrophobicContact CB-CD2 4.08Å; P162-L202 HydrophobicContact CB-CG 4.35Å; V195-L202 HydrophobicContact CG1-CB 3.9Å; V195-L202 HydrophobicContact CG1-CD2 3.98Å; V195-L202 HydrophobicContact CG1-CG 3.92Å; V195-L202 HydrophobicContact CG2-CD2 4.48Å; V195-L202 HydrophobicContact CG2-CG 4.14Å; N199-L202 HydrophobicContact CB-CB 4.24Å; N199-L202 PolarHBondContact O-N 2.86Å; N199-L202 VanDerWaalsContact O-N 3.12Å; N199-L202 WeakPolarHBondContact OD1-CB 3.43Å; N199-L202 PolarHBondContact OD1-N 2.91Å; N199-L202 VanDerWaalsContact OD1-N 3.11Å; E200-L202 VanDerWaalsContact C-N 3.34Å; E200-L202 PolarHBondContact O-N 3.23Å; L202-Y204 VanDerWaalsContact C-N 3.34Å; L202-Y204 PolarHBondContact O-N 3.29Å; L202-I205 PolarHBondContact O-N 3.45Å; L202-L206 WeakPolarHBondContact O-CB 3.48Å; L202-L206 PolarHBondContact O-N 3.01Å
203	K	95.7	Very high	95.7	Very high	66 Å²	66	77.9 Å²	77.9	29%	0.287	37%	0.371	S	S	.	.	H	α-helix	trans	-58.3	-46.3	172.5	-68.3	179.7	-171.2	166.8	0	111.4	V195 S197 N199 E200 L206 K207	V195-K203 HydrophobicContact CB-CG 3.76Å; V195-K203 HydrophobicContact CG1-CG 3.63Å; V195-K203 HydrophobicContact CG2-CG 4.3Å; S197-K203 PolarHBondContact O-NZ 3.25Å; N199-K203 PolarHBondContact O-N 3.23Å; N199-K203 VanDerWaalsContact O-N 3.12Å; E200-K203 PolarHBondContact O-N 3.42Å; E200-K203 IonicContact OE1-NZ 2.82Å; E200-K203 PolarHBondContact OE1-NZ 3.35Å; K203-L206 PolarHBondContact O-N 2.8Å; K203-K207 WeakPolarHBondContact O-CB 3.2Å; K203-K207 PolarHBondContact O-N 2.89Å
204	Y	96	Very high	95.7	Very high	171 Å²	171	82.3 Å²	82.3	67%	0.671	39%	0.392	S	S	*	.	H	α-helix	trans	-62.1	-47.6	177.9	177.8	-95.3	0	0	0	112.2	E200 R201 L202 L206 K207 N208	E200-Y204 PolarHBondContact O-N 2.92Å; R201-Y204 PolarHBondContact O-N 2.79Å; L202-Y204 VanDerWaalsContact C-N 3.34Å; L202-Y204 PolarHBondContact O-N 3.29Å; Y204-L206 VanDerWaalsContact C-N 3.35Å; Y204-L206 PolarHBondContact O-N 3.06Å; Y204-K207 PolarHBondContact O-N 3.3Å; Y204-N208 PolarHBondContact O-N 3.02Å
205	I	96.3	Very high	95.7	Very high	60 Å²	60	80.8 Å²	80.8	31%	0.308	38%	0.383	S	S	.	.	H	α-helix	trans	-59.3	-47	178	-69.7	166.6	0	0	0	110.7	F165 R201 L202 N208 E209	F165-I205 HydrophobicContact CD2-CG2 4.2Å; R201-I205 HydrophobicContact CG-CD1 4.02Å; R201-I205 VanDerWaalsContact O-CG1 3.32Å; R201-I205 WeakPolarHBondContact O-CG1 3.48Å; R201-I205 PolarHBondContact O-N 3.11Å; L202-I205 PolarHBondContact O-N 3.45Å; I205-N208 PolarHBondContact O-N 2.82Å; I205-E209 WeakPolarHBondContact O-CB 3.48Å; I205-E209 PolarHBondContact O-N 2.99Å
206	L	97.5	Very high	95.9	Very high	4 Å²	4	80.7 Å²	80.7	2%	0.021	38%	0.383	C	S	.	.	H	α-helix	trans	-64.3	-42	-179.2	-178.6	64.3	0	0	0	111.9	P162 L192 V195 L202 K203 Y204 N208 E209 S210 I216	P162-L206 HydrophobicContact CB-CD2 4.3Å; L192-L206 HydrophobicContact CD2-CD1 3.52Å; L192-L206 HydrophobicContact CD2-CD2 4.09Å; L192-L206 HydrophobicContact CD2-CG 4.46Å; V195-L206 HydrophobicContact CG2-CD2 3.85Å; L202-L206 WeakPolarHBondContact O-CB 3.48Å; L202-L206 PolarHBondContact O-N 3.01Å; K203-L206 PolarHBondContact O-N 2.8Å; Y204-L206 VanDerWaalsContact C-N 3.35Å; Y204-L206 PolarHBondContact O-N 3.06Å; L206-N208 VanDerWaalsContact C-N 3.3Å; L206-N208 PolarHBondContact O-N 3.46Å; L206-E209 PolarHBondContact O-N 2.81Å; L206-S210 PolarHBondContact O-N 2.72Å; L206-S210 PolarHBondContact O-OG 3.31Å; L206-I216 HydrophobicContact CD1-CD1 3.73Å; L206-I216 HydrophobicContact CD1-CG2 4.45Å
207	K	96.5	Very high	96.3	Very high	158 Å²	158	77.9 Å²	77.9	69%	0.687	37%	0.365	S	S	*	.	H	α-helix	trans	-61.4	-39.5	176	-177.8	178.4	178.1	179.8	0	111.9	K203 Y204 S210 Y211	K203-K207 WeakPolarHBondContact O-CB 3.2Å; K203-K207 PolarHBondContact O-N 2.89Å; Y204-K207 PolarHBondContact O-N 3.3Å; K207-S210 PolarHBondContact O-OG 3.38Å; K207-Y211 WeakPolarHBondContact O-CB 3.19Å; K207-Y211 PolarHBondContact O-N 3.48Å; K207-Y211 VanDerWaalsContact O-N 3.16Å
208	N	97.7	Very high	96.8	Very high	84 Å²	84	73.9 Å²	73.9	45%	0.449	34%	0.335	S	S	.	.	H	α-helix	trans	-70.4	-40.9	176.1	-172.5	62.5	0	0	0	111.6	Y204 I205 L206 Y211 V212	Y204-N208 PolarHBondContact O-N 3.02Å; I205-N208 PolarHBondContact O-N 2.82Å; L206-N208 VanDerWaalsContact C-N 3.3Å; L206-N208 PolarHBondContact O-N 3.46Å; N208-Y211 PolarHBondContact O-N 3.16Å; N208-V212 VanDerWaalsContact O-CG2 3.3Å; N208-V212 WeakPolarHBondContact O-CG2 3.48Å; N208-V212 PolarHBondContact O-N 2.8Å
209	E	98.2	Very high	97.1	Very high	3 Å²	3	68.2 Å²	68.2	1%	0.014	30%	0.304	C	S	.	.	H	α-helix	trans	-59.1	-48.9	175.2	-174.3	-173.4	-177.9	0	0	111.7	F165 R168 R172 I205 L206 Y211 V212 Y213 I216	F165-E209 HydrophobicContact CD2-CB 4.28Å; F165-E209 VanDerWaalsContact CD2-CD 3.42Å; F165-E209 HydrophobicContact CD2-CG 4.02Å; F165-E209 VanDerWaalsContact CD2-OE2 3.28Å; F165-E209 WeakPolarHBondContact CD2-OE2 3.31Å; F165-E209 HydrophobicContact CE2-CB 3.94Å; F165-E209 HydrophobicContact CE2-CG 3.68Å; R168-E209 IonicContact CZ-OE1 3.02Å; R168-E209 IonicContact CZ-OE2 2.74Å; R168-E209 IonicContact NE-OE1 3.58Å; R168-E209 PolarHBondContact NE-OE1 2.75Å; R168-E209 IonicContact NE-OE2 3.92Å; R168-E209 PolarHBondContact NE-OE2 2.69Å; R168-E209 IonicContact NH2-OE1 3.96Å; R168-E209 IonicContact NH2-OE2 3.92Å; R168-E209 PolarHBondContact NH2-OE2 2.89Å; R172-E209 IonicContact CZ-OE1 3.75Å; R172-E209 VanDerWaalsContact CZ-OE1 3.3Å; R172-E209 IonicContact NH1-OE1 3.4Å; R172-E209 PolarHBondContact NH1-OE1 2.93Å; R172-E209 IonicContact NH2-OE1 3.81Å; R172-E209 PolarHBondContact NH2-OE1 3.41Å; I205-E209 WeakPolarHBondContact O-CB 3.48Å; I205-E209 PolarHBondContact O-N 2.99Å; L206-E209 PolarHBondContact O-N 2.81Å; E209-Y211 VanDerWaalsContact C-N 3.31Å; E209-Y211 PolarHBondContact O-N 2.77Å; E209-V212 PolarHBondContact O-N 2.84Å; E209-Y213 HydrophobicContact CG-CD2 3.8Å; E209-Y213 HydrophobicContact CG-CE2 4.18Å; E209-Y213 WeakPolarHBondContact O-CD2 3.41Å; E209-Y213 PolarHBondContact O-N 2.77Å; E209-I216 HydrophobicContact CB-CD1 4.26Å; E209-I216 HydrophobicContact CG-CD1 3.79Å
210	S	97.9	Very high	97.2	Very high	12 Å²	12	68.1 Å²	68.1	8%	0.084	30%	0.304	C	S	.	.	H	α-helix	trans	-63.4	-38.5	179.8	64.6	0	0	0	0	112.2	L206 K207 V212 H214	L206-S210 PolarHBondContact O-N 2.72Å; L206-S210 PolarHBondContact O-OG 3.31Å; K207-S210 PolarHBondContact O-OG 3.38Å; S210-V212 VanDerWaalsContact C-N 3.32Å; S210-V212 PolarHBondContact O-N 2.83Å; S210-H214 WeakPolarHBondContact O-CA 3.24Å; S210-H214 PolarHBondContact O-N 2.9Å
211	Y	97.1	Very high	97.2	Very high	171 Å²	171	62.6 Å²	62.6	67%	0.671	28%	0.278	S	S	*	.	H	α-helix	trans	-63.4	-34.8	175	179.8	-100.2	0	0	0	113.1	K207 N208 E209 H214	K207-Y211 WeakPolarHBondContact O-CB 3.19Å; K207-Y211 PolarHBondContact O-N 3.48Å; K207-Y211 VanDerWaalsContact O-N 3.16Å; N208-Y211 PolarHBondContact O-N 3.16Å; E209-Y211 VanDerWaalsContact C-N 3.31Å; E209-Y211 PolarHBondContact O-N 2.77Å; Y211-H214 PolarHBondContact O-NE2 3.48Å
212	V	97.5	Very high	97.1	Very high	67 Å²	67	58 Å²	58	41%	0.406	27%	0.268	S	S	.	.	H	α-helix	trans	-79	-44.3	-178.8	170.2	0	0	0	0	111.9	N208 E209 S210	N208-V212 VanDerWaalsContact O-CG2 3.3Å; N208-V212 WeakPolarHBondContact O-CG2 3.48Å; N208-V212 PolarHBondContact O-N 2.8Å; E209-V212 PolarHBondContact O-N 2.84Å; S210-V212 VanDerWaalsContact C-N 3.32Å; S210-V212 PolarHBondContact O-N 2.83Å
213	Y	97.2	Very high	97	Very high	88 Å²	88	58.6 Å²	58.6	35%	0.345	27%	0.271	S	S	.	.	H	α-helix	trans	-101.7	-19.8	-168.1	-64.7	-70.5	0	0	0	114.8	E209 D215	E209-Y213 HydrophobicContact CG-CD2 3.8Å; E209-Y213 HydrophobicContact CG-CE2 4.18Å; E209-Y213 WeakPolarHBondContact O-CD2 3.41Å; E209-Y213 PolarHBondContact O-N 2.77Å; Y213-D215 VanDerWaalsContact CB-OD1 3.28Å; Y213-D215 WeakPolarHBondContact CB-OD1 3.43Å; Y213-D215 PolarHBondContact O-N 2.8Å; Y213-D215 VanDerWaalsContact O-N 3.17Å
214	H	97	Very high	96.9	Very high	92 Å²	92	59.6 Å²	59.6	43%	0.426	28%	0.276	S	S	.	.			trans	49.6	41.2	-178.3	-66.4	-67	0	0	0	113.3	E137 K140 S210 Y211	E137-H214 IonicContact OE1-ND1 3.6Å; E137-H214 PolarHBondContact OE1-ND1 3.17Å; E137-H214 IonicContact OE2-ND1 2.82Å; K140-H214 PolarHBondContact NZ-O 2.96Å; S210-H214 WeakPolarHBondContact O-CA 3.24Å; S210-H214 PolarHBondContact O-N 2.9Å; Y211-H214 PolarHBondContact O-NE2 3.48Å
215	D	97.8	Very high	96.5	Very high	14 Å²	14	55.9 Å²	55.9	8%	0.075	26%	0.262	C	S	.	.			trans	-134.6	18.5	-175.3	70.3	-5.6	0	0	0	113.3	R172 L189 F190 Y213	R172-D215 IonicContact CZ-OD1 2.81Å; R172-D215 IonicContact CZ-OD2 3.42Å; R172-D215 IonicContact NE-OD1 2.69Å; R172-D215 IonicContact NE-OD2 2.67Å; R172-D215 PolarHBondContact NE-OD2 2.82Å; R172-D215 IonicContact NH2-OD1 3.92Å; R172-D215 PolarHBondContact NH2-OD1 3.07Å; R172-D215 IonicContact NH2-OD2 3.81Å; R172-D215 PolarHBondContact NH2-OD2 3.02Å; L189-D215 CarbonylContact C-O 3.45Å; L189-D215 WeakPolarHBondContact CA-O 3.48Å; L189-D215 HydrophobicContact CD2-CB 4.47Å; F190-D215 WeakPolarHBondContact CE2-OD2 3.41Å; F190-D215 PolarHBondContact N-O 3Å; Y213-D215 VanDerWaalsContact CB-OD1 3.28Å; Y213-D215 WeakPolarHBondContact CB-OD1 3.43Å; Y213-D215 PolarHBondContact O-N 2.8Å; Y213-D215 VanDerWaalsContact O-N 3.17Å
216	I	98.7	Very high	96.3	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128	179.9	-61.8	-178.6	0	0	0	109.3	I135 E137 F190 L192 L206 E209	I135-I216 HydrophobicContact CD1-CG2 4.28Å; I135-I216 WeakPolarHBondContact CG2-O 3.34Å; E137-I216 VanDerWaalsContact CG-O 3.23Å; E137-I216 WeakPolarHBondContact CG-O 3.45Å; F190-I216 HydrophobicContact CB-CG1 4.33Å; L192-I216 HydrophobicContact CD1-CG2 4.33Å; L192-I216 HydrophobicContact CD2-CG2 4.09Å; L206-I216 HydrophobicContact CD1-CD1 3.73Å; L206-I216 HydrophobicContact CD1-CG2 4.45Å; E209-I216 HydrophobicContact CB-CD1 4.26Å; E209-I216 HydrophobicContact CG-CD1 3.79Å
217	I	98.6	Very high	96.2	Very high	0 Å²	0	59 Å²	59	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.6	166.7	57.7	172.5	0	0	0	109.4	I135 E137 L157 L189 F190 L191 L192 F234 W238	I135-I217 WeakPolarHBondContact O-CA 3.09Å; E137-I217 HydrophobicContact CB-CG2 3.83Å; E137-I217 HydrophobicContact CG-CG2 4.23Å; L157-I217 HydrophobicContact CD2-CD1 4.08Å; L189-I217 HydrophobicContact CD1-CG2 4.49Å; L189-I217 HydrophobicContact CD2-CG2 4.42Å; F190-I217 PolarHBondContact O-N 2.98Å; L191-I217 HydrophobicContact CD1-CD1 3.74Å; L191-I217 HydrophobicContact CD1-CG1 3.89Å; L192-I217 PolarHBondContact N-O 2.91Å; I217-F234 HydrophobicContact CB-CE1 4.17Å; I217-F234 HydrophobicContact CB-CZ 4.06Å; I217-F234 HydrophobicContact CD1-CE1 4.33Å; I217-F234 HydrophobicContact CD1-CZ 4.41Å; I217-F234 HydrophobicContact CG1-CE1 4.13Å; I217-F234 HydrophobicContact CG1-CZ 4.39Å; I217-W238 HydrophobicContact CD1-CB 4.15Å; I217-W238 HydrophobicContact CD1-CD2 3.67Å; I217-W238 HydrophobicContact CD1-CE3 4.04Å; I217-W238 HydrophobicContact CD1-CG 3.66Å; I217-W238 HydrophobicContact CG2-CD2 4.38Å; I217-W238 HydrophobicContact CG2-CZ2 3.99Å
218	Q	98.5	Very high	96.2	Very high	14 Å²	14	52.5 Å²	52.5	7%	0.065	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	135.3	-170.1	-167.4	-175.1	20.4	0	0	111.7	L134 I135 L192 G193	L134-Q218 HydrophobicContact CB-CB 4.2Å; L134-Q218 HydrophobicContact CB-CG 4.16Å; L134-Q218 HydrophobicContact CD1-CG 4.09Å; L134-Q218 PolarHBondContact N-O 3.03Å; I135-Q218 HydrophobicContact CB-CB 3.9Å; I135-Q218 HydrophobicContact CD1-CB 4.14Å; I135-Q218 HydrophobicContact CG1-CB 4Å; I135-Q218 PolarHBondContact N-O 3.12Å; I135-Q218 PolarHBondContact O-N 3.23Å; L192-Q218 HydrophobicContact CB-CG 4.23Å; L192-Q218 WeakPolarHBondContact O-CA 3.29Å; G193-Q218 WeakPolarHBondContact O-CG 3.26Å; G193-Q218 PolarHBondContact O-NE2 3.49Å
219	Q	97.9	Very high	96.1	Very high	25 Å²	25	48.5 Å²	48.5	12%	0.117	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	151.4	173.6	-159.8	-175.2	34.5	0	0	111	F131 P132 L192 G193 N194 F221 F234	F131-Q219 HydrophobicContact CB-CG 3.66Å; F131-Q219 PolarHBondContact O-NE2 3.46Å; P132-Q219 WeakPolarHBondContact O-CA 3.36Å; P132-Q219 WeakPolarHBondContact O-CG 3.36Å; L192-Q219 PolarHBondContact O-N 3.34Å; G193-Q219 CarbonylContact C-O 3.53Å; G193-Q219 WeakPolarHBondContact CA-O 3.23Å; N194-Q219 PolarHBondContact N-O 3.04Å; Q219-F221 VanDerWaalsContact C-N 3.28Å; Q219-F221 HydrophobicContact CB-CD1 3.93Å; Q219-F221 HydrophobicContact CB-CE1 3.82Å; Q219-F221 HydrophobicContact CG-CD1 4.35Å; Q219-F221 PolarHBondContact O-N 3.36Å; Q219-F234 HydrophobicContact CB-CB 4.47Å; Q219-F234 HydrophobicContact CB-CD1 3.61Å; Q219-F234 HydrophobicContact CB-CD2 3.9Å; Q219-F234 HydrophobicContact CB-CE1 3.77Å; Q219-F234 HydrophobicContact CB-CE2 4.03Å; Q219-F234 HydrophobicContact CB-CG 3.71Å; Q219-F234 HydrophobicContact CB-CZ 3.99Å; Q219-F234 HydrophobicContact CG-CD2 4.17Å; Q219-F234 HydrophobicContact CG-CE2 4.42Å; Q219-F234 HydrophobicContact CG-CG 4.32Å; Q219-F234 VanDerWaalsContact OE1-CB 3.28Å
220	D	96.9	Very high	96.1	Very high	60 Å²	60	50.5 Å²	50.5	32%	0.321	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	62.6	-173.2	-170.7	23.5	0	0	0	113.8	F131 P132 L134 N194	F131-D220 WeakPolarHBondContact CD1-O 3.25Å; P132-D220 HydrophobicContact CB-CB 4.49Å; P132-D220 PolarHBondContact O-N 2.89Å; L134-D220 HydrophobicContact CD1-CB 3.98Å; L134-D220 HydrophobicContact CD2-CB 4.07Å; L134-D220 HydrophobicContact CG-CB 3.96Å; N194-D220 PolarHBondContact ND2-OD1 3.4Å
221	F	96.3	Very high	96.1	Very high	3 Å²	3	50.6 Å²	50.6	1%	0.013	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	149.9	165.4	60.5	-99	0	0	0	109.5	F131 G193 N194 Q219 D223 N227 K231 F234	F131-F221 HydrophobicContact CD1-CB 4.07Å; F131-F221 HydrophobicContact CD2-CB 3.95Å; F131-F221 HydrophobicContact CD2-CD1 4.35Å; F131-F221 HydrophobicContact CE1-CB 3.99Å; F131-F221 HydrophobicContact CE2-CB 3.87Å; F131-F221 HydrophobicContact CG-CB 4.06Å; F131-F221 HydrophobicContact CZ-CB 3.9Å; G193-F221 CarbonylContact C-O 3.51Å; N194-F221 WeakPolarHBondContact CB-O 3.47Å; N194-F221 PolarHBondContact N-O 2.83Å; Q219-F221 VanDerWaalsContact C-N 3.28Å; Q219-F221 HydrophobicContact CB-CD1 3.93Å; Q219-F221 HydrophobicContact CB-CE1 3.82Å; Q219-F221 HydrophobicContact CG-CD1 4.35Å; Q219-F221 PolarHBondContact O-N 3.36Å; F221-D223 PolarHBondContact O-N 2.81Å; F221-D223 VanDerWaalsContact O-N 3.13Å; F221-N227 HydrophobicContact CD2-CB 4.18Å; F221-K231 HydrophobicContact CE2-CB 4.01Å; F221-K231 HydrophobicContact CZ-CB 3.61Å; F221-K231 HydrophobicContact CZ-CG 3.98Å; F221-F234 HydrophobicContact CE1-CB 4.31Å; F221-F234 HydrophobicContact CE1-CD1 4.43Å
222	L	94.7	Very high	96.2	Very high	102 Å²	102	42.5 Å²	42.5	53%	0.534	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	119.7	177.6	173.7	66.1	0	0	0	110.4	H224 N227	L222-H224 HydrophobicContact CD2-CB 4.38Å; L222-H224 HydrophobicContact CG-CB 4.21Å; L222-H224 PolarHBondContact O-N 2.67Å; L222-N227 WeakPolarHBondContact O-CB 3.24Å; L222-N227 PolarHBondContact O-ND2 3.34Å
223	D	93.8	Very high	96.2	Very high	36 Å²	36	40.2 Å²	40.2	19%	0.193	19%	0.185	C	C	.	.			trans	-75.7	90.3	-179.7	-156.9	-19.3	0	0	0	111.5	P162 G193 F221 K231	P162-D223 WeakPolarHBondContact CD-OD2 3.34Å; P162-D223 HydrophobicContact CG-CB 4.34Å; G193-D223 PolarHBondContact N-OD2 3.11Å; F221-D223 PolarHBondContact O-N 2.81Å; F221-D223 VanDerWaalsContact O-N 3.13Å; D223-K231 WeakPolarHBondContact OD1-CE 3.41Å; D223-K231 IonicContact OD1-NZ 3.87Å; D223-K231 PolarHBondContact OD1-NZ 3.03Å; D223-K231 IonicContact OD2-NZ 3.5Å; D223-K231 PolarHBondContact OD2-NZ 3.29Å
224	H	92.1	Very high	96.3	Very high	87 Å²	87	36.1 Å²	36.1	40%	0.403	17%	0.169	S	C	.	.	S	Bend	trans	-140.1	156.6	-177.6	-170.1	-96.1	0	0	0	110.2	L222 Y226 N227	L222-H224 HydrophobicContact CD2-CB 4.38Å; L222-H224 HydrophobicContact CG-CB 4.21Å; L222-H224 PolarHBondContact O-N 2.67Å; H224-Y226 AromaticContact CE1-CD2 3.33Å; H224-Y226 WeakPolarHBondContact CE1-CD2 3.09Å; H224-Y226 AromaticContact CE1-CE2 3.59Å; H224-Y226 AromaticContact CE1-CG 3.98Å; H224-Y226 AromaticContact ND1-CD2 3.38Å; H224-Y226 WeakPolarHBondContact ND1-CD2 3.39Å; H224-Y226 AromaticContact ND1-CG 3.74Å; H224-Y226 PolarHBondContact ND1-N 2.78Å; H224-Y226 PolarHBondContact O-N 2.77Å; H224-Y226 VanDerWaalsContact O-N 3.17Å; H224-N227 CarbonylContact O-C 3.56Å; H224-N227 WeakPolarHBondContact O-CA 3.4Å; H224-N227 PolarHBondContact O-N 2.98Å
225	Y	88.4	Confident	96.3	Very high	94 Å²	94	31.7 Å²	31.7	37%	0.369	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-50.1	-42.5	178.8	177.8	-97.1	0	0	0	113.1	N227 S228 K299 W300 F343	Y225-N227 PolarHBondContact O-N 2.8Å; Y225-S228 WeakPolarHBondContact O-CB 3.44Å; Y225-S228 PolarHBondContact O-N 2.82Å; Y225-S228 PolarHBondContact O-OG 3.15Å; Y225-K299 HydrophobicContact CE1-CB 4.43Å; Y225-K299 HydrophobicContact CE1-CD 4.45Å; Y225-W300 VanDerWaalsContact OH-CD1 3.28Å; Y225-W300 PolarHBondContact OH-NE1 3.45Å; Y225-W300 VanDerWaalsContact OH-NE1 3.12Å; Y225-F343 HydrophobicContact CE1-CD1 4.42Å; Y225-F343 AromaticContact CE1-CE1 4Å; Y225-F343 HydrophobicContact CE1-CE1 4Å
226	Y	91.4	Very high	96.4	Very high	95 Å²	95	31 Å²	31	37%	0.373	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-70.7	-7.7	178.6	-57.4	-43.7	0	0	0	115.1	H224 Y340 R342	H224-Y226 AromaticContact CE1-CD2 3.33Å; H224-Y226 WeakPolarHBondContact CE1-CD2 3.09Å; H224-Y226 AromaticContact CE1-CE2 3.59Å; H224-Y226 AromaticContact CE1-CG 3.98Å; H224-Y226 AromaticContact ND1-CD2 3.38Å; H224-Y226 WeakPolarHBondContact ND1-CD2 3.39Å; H224-Y226 AromaticContact ND1-CG 3.74Å; H224-Y226 PolarHBondContact ND1-N 2.78Å; H224-Y226 PolarHBondContact O-N 2.77Å; H224-Y226 VanDerWaalsContact O-N 3.17Å; Y226-Y340 PolarHBondContact O-OH 2.97Å; Y226-R342 WeakPolarHBondContact O-CB 3.49Å
227	N	95.5	Very high	96.4	Very high	35 Å²	35	33.9 Å²	33.9	19%	0.187	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-111.3	14.9	177	-67.8	-23.7	0	0	0	112.2	F221 L222 H224 Y225 T229 Y230 K231 Y340	F221-N227 HydrophobicContact CD2-CB 4.18Å; L222-N227 WeakPolarHBondContact O-CB 3.24Å; L222-N227 PolarHBondContact O-ND2 3.34Å; H224-N227 CarbonylContact O-C 3.56Å; H224-N227 WeakPolarHBondContact O-CA 3.4Å; H224-N227 PolarHBondContact O-N 2.98Å; Y225-N227 PolarHBondContact O-N 2.8Å; N227-T229 PolarHBondContact O-N 2.81Å; N227-Y230 HydrophobicContact CB-CD2 4.05Å; N227-Y230 PolarHBondContact O-N 3.25Å; N227-K231 PolarHBondContact O-N 2.69Å; N227-Y340 WeakPolarHBondContact CA-OH 3.37Å
228	S	96.1	Very high	96.3	Very high	20 Å²	20	33.9 Å²	33.9	14%	0.14	16%	0.161	C	C	.	.	H	α-helix	trans	-57.6	-34.2	176.4	60.1	0	0	0	0	112.4	Y225 K231 I232 R342	Y225-S228 WeakPolarHBondContact O-CB 3.44Å; Y225-S228 PolarHBondContact O-N 2.82Å; Y225-S228 PolarHBondContact O-OG 3.15Å; S228-K231 WeakPolarHBondContact O-CA 3.38Å; S228-K231 VanDerWaalsContact O-CB 3.26Å; S228-K231 WeakPolarHBondContact O-CB 3.21Å; S228-K231 PolarHBondContact O-N 2.91Å; S228-K231 VanDerWaalsContact O-N 3.14Å; S228-I232 PolarHBondContact O-N 2.94Å; S228-R342 PolarHBondContact OG-O 3.27Å
229	T	97.4	Very high	96.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.7	-42.7	178.2	-63.3	0	0	0	0	111.8	N227 K231 I232 M233 Y340 L341 F343 D344 Y347	N227-T229 PolarHBondContact O-N 2.81Å; T229-K231 PolarHBondContact O-N 2.76Å; T229-I232 PolarHBondContact O-N 3.06Å; T229-M233 HydrophobicContact CG2-CG 4.34Å; T229-M233 HydrophobicContact CG2-SD 4.03Å; T229-M233 WeakPolarHBondContact O-CB 3.26Å; T229-M233 WeakPolarHBondContact O-CG 3.17Å; T229-M233 PolarHBondContact O-N 2.99Å; T229-Y340 VanDerWaalsContact CB-CE2 3.49Å; T229-Y340 HydrophobicContact CG2-CD2 3.95Å; T229-Y340 HydrophobicContact CG2-CE2 3.61Å; T229-L341 VanDerWaalsContact CB-O 3.31Å; T229-L341 WeakPolarHBondContact CB-O 3.19Å; T229-L341 WeakPolarHBondContact CG2-O 3.13Å; T229-L341 PolarHBondContact OG1-O 2.88Å; T229-F343 VanDerWaalsContact OG1-C 3.31Å; T229-D344 WeakPolarHBondContact OG1-CA 3.44Å; T229-D344 PolarHBondContact OG1-N 3.33Å; T229-D344 VanDerWaalsContact OG1-N 3.12Å; T229-Y347 HydrophobicContact CG2-CD1 3.33Å; T229-Y347 HydrophobicContact CG2-CD2 4.32Å; T229-Y347 HydrophobicContact CG2-CE1 3.68Å; T229-Y347 HydrophobicContact CG2-CG 3.65Å
230	Y	98.1	Very high	96.4	Very high	46 Å²	46	33 Å²	33	18%	0.18	16%	0.158	C	C	.	.	H	α-helix	trans	-60	-35.2	172.1	-66.4	-51.7	0	0	0	112	P129 F131 N227 M233 F234 Y340	P129-Y230 HydrophobicContact CB-CD1 4.21Å; P129-Y230 HydrophobicContact CB-CE1 3.82Å; P129-Y230 HydrophobicContact CG-CD1 3.91Å; P129-Y230 HydrophobicContact CG-CE1 3.76Å; F131-Y230 HydrophobicContact CD2-CD1 4.49Å; F131-Y230 AromaticContact CE2-CD1 3.7Å; F131-Y230 HydrophobicContact CE2-CD1 3.7Å; F131-Y230 AromaticContact CE2-CD2 3.98Å; F131-Y230 HydrophobicContact CE2-CD2 3.98Å; F131-Y230 AromaticContact CE2-CE1 3.9Å; F131-Y230 HydrophobicContact CE2-CE1 3.9Å; F131-Y230 HydrophobicContact CE2-CE2 4.17Å; F131-Y230 AromaticContact CE2-CG 3.74Å; F131-Y230 HydrophobicContact CE2-CG 3.74Å; F131-Y230 HydrophobicContact CZ-CD2 4.33Å; F131-Y230 HydrophobicContact CZ-CE2 4.24Å; N227-Y230 HydrophobicContact CB-CD2 4.05Å; N227-Y230 PolarHBondContact O-N 3.25Å; Y230-M233 HydrophobicContact CD1-SD 3.91Å; Y230-M233 HydrophobicContact CE1-SD 4.44Å; Y230-M233 PolarHBondContact O-N 3.03Å; Y230-F234 WeakPolarHBondContact O-CB 2.99Å; Y230-F234 PolarHBondContact O-N 3.12Å; Y230-Y340 AromaticContact CD1-CD2 3.97Å; Y230-Y340 HydrophobicContact CD1-CD2 3.97Å; Y230-Y340 AromaticContact CD1-CE2 3.58Å; Y230-Y340 HydrophobicContact CD1-CE2 3.58Å; Y230-Y340 AromaticContact CD2-CE2 3.72Å; Y230-Y340 HydrophobicContact CD2-CE2 3.72Å; Y230-Y340 AromaticContact CD2-CZ 3.87Å; Y230-Y340 AromaticContact CE1-CD2 3.43Å; Y230-Y340 HydrophobicContact CE1-CD2 3.43Å; Y230-Y340 VanDerWaalsContact CE1-CD2 3.43Å; Y230-Y340 AromaticContact CE1-CE2 3.4Å; Y230-Y340 HydrophobicContact CE1-CE2 3.4Å; Y230-Y340 VanDerWaalsContact CE1-CE2 3.4Å; Y230-Y340 HydrophobicContact CE1-CG 4.32Å; Y230-Y340 HydrophobicContact CE2-CD2 4.2Å; Y230-Y340 HydrophobicContact CE2-CE1 4.26Å; Y230-Y340 AromaticContact CE2-CE2 3.55Å; Y230-Y340 HydrophobicContact CE2-CE2 3.55Å; Y230-Y340 AromaticContact CE2-CZ 3.59Å; Y230-Y340 AromaticContact CG-CE2 3.73Å; Y230-Y340 HydrophobicContact CG-CE2 3.73Å; Y230-Y340 AromaticContact CZ-CD2 3.56Å; Y230-Y340 AromaticContact CZ-CE2 3.39Å; Y230-Y340 AromaticContact CZ-CZ 3.83Å
231	K	98.1	Very high	96.4	Very high	14 Å²	14	36.1 Å²	36.1	6%	0.061	17%	0.168	C	C	.	.	H	α-helix	trans	-62.9	-51.1	175.3	-169.1	174.4	-75.6	-174.5	0	111.7	K159 S160 L191 F221 D223 N227 S228 T229 M233 F234 G235	K159-K231 HydrophobicContact CB-CD 4.14Å; K159-K231 HydrophobicContact CD-CD 4.38Å; K159-K231 HydrophobicContact CG-CD 3.94Å; K159-K231 HydrophobicContact CG-CG 4.3Å; S160-K231 PolarHBondContact O-NZ 2.77Å; L191-K231 HydrophobicContact CD2-CG 3.74Å; L191-K231 WeakPolarHBondContact CD2-O 3.44Å; L191-K231 HydrophobicContact CG-CD 4.31Å; L191-K231 HydrophobicContact CG-CG 3.59Å; L191-K231 WeakPolarHBondContact O-CD 3.29Å; F221-K231 HydrophobicContact CE2-CB 4.01Å; F221-K231 HydrophobicContact CZ-CB 3.61Å; F221-K231 HydrophobicContact CZ-CG 3.98Å; D223-K231 WeakPolarHBondContact OD1-CE 3.41Å; D223-K231 IonicContact OD1-NZ 3.87Å; D223-K231 PolarHBondContact OD1-NZ 3.03Å; D223-K231 IonicContact OD2-NZ 3.5Å; D223-K231 PolarHBondContact OD2-NZ 3.29Å; N227-K231 PolarHBondContact O-N 2.69Å; S228-K231 WeakPolarHBondContact O-CA 3.38Å; S228-K231 VanDerWaalsContact O-CB 3.26Å; S228-K231 WeakPolarHBondContact O-CB 3.21Å; S228-K231 PolarHBondContact O-N 2.91Å; S228-K231 VanDerWaalsContact O-N 3.14Å; T229-K231 PolarHBondContact O-N 2.76Å; K231-M233 PolarHBondContact O-N 3.19Å; K231-F234 WeakPolarHBondContact O-CB 3.41Å; K231-F234 PolarHBondContact O-N 2.77Å; K231-G235 PolarHBondContact O-N 3.39Å
232	I	98	Very high	96.4	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-61.9	-42.2	175.1	-73.1	-61.2	0	0	0	112	K159 S228 T229 F234 G235 I236 F251 F321 D344 L348	K159-I232 HydrophobicContact CD-CD1 3.67Å; K159-I232 HydrophobicContact CD-CG1 4.07Å; K159-I232 HydrophobicContact CG-CD1 4.31Å; S228-I232 PolarHBondContact O-N 2.94Å; T229-I232 PolarHBondContact O-N 3.06Å; I232-F234 VanDerWaalsContact C-N 3.29Å; I232-F234 PolarHBondContact O-N 3.4Å; I232-G235 PolarHBondContact O-N 3.03Å; I232-I236 HydrophobicContact CG2-CD1 3.78Å; I232-I236 HydrophobicContact CG2-CG1 4.31Å; I232-I236 WeakPolarHBondContact O-CG1 3.34Å; I232-I236 PolarHBondContact O-N 2.6Å; I232-F251 HydrophobicContact CD1-CB 4.36Å; I232-F251 HydrophobicContact CD1-CD1 3.19Å; I232-F251 HydrophobicContact CD1-CE1 3.48Å; I232-F251 VanDerWaalsContact CD1-CE1 3.48Å; I232-F251 HydrophobicContact CD1-CG 3.86Å; I232-F251 HydrophobicContact CD1-CZ 4.35Å; I232-F321 HydrophobicContact CD1-CE1 4.3Å; I232-F321 HydrophobicContact CD1-CZ 4.18Å; I232-D344 HydrophobicContact CB-CB 4.23Å; I232-D344 HydrophobicContact CG1-CB 3.74Å; I232-D344 WeakPolarHBondContact CG1-OD2 3.37Å; I232-L348 HydrophobicContact CG2-CD1 4.12Å; I232-L348 HydrophobicContact CG2-CD2 4.35Å; I232-L348 HydrophobicContact CG2-CG 4.39Å
233	M	98.4	Very high	96.5	Very high	18 Å²	18	33.9 Å²	33.9	9%	0.089	15%	0.154	C	C	.	.	H	α-helix	trans	-55.3	-46.1	175.1	-71.3	170.7	68.7	0	0	111.2	N127 P129 T229 Y230 K231 N237 M335 Y340 Y347	N127-M233 VanDerWaalsContact ND2-CE 3.3Å; N127-M233 WeakPolarHBondContact ND2-CE 3.49Å; P129-M233 HydrophobicContact CG-CE 3.7Å; T229-M233 HydrophobicContact CG2-CG 4.34Å; T229-M233 HydrophobicContact CG2-SD 4.03Å; T229-M233 WeakPolarHBondContact O-CB 3.26Å; T229-M233 WeakPolarHBondContact O-CG 3.17Å; T229-M233 PolarHBondContact O-N 2.99Å; Y230-M233 HydrophobicContact CD1-SD 3.91Å; Y230-M233 HydrophobicContact CE1-SD 4.44Å; Y230-M233 PolarHBondContact O-N 3.03Å; K231-M233 PolarHBondContact O-N 3.19Å; M233-N237 VanDerWaalsContact O-CB 3.29Å; M233-N237 WeakPolarHBondContact O-CB 3.47Å; M233-N237 PolarHBondContact O-N 3.14Å; M233-M335 HydrophobicContact CB-CE 4.39Å; M233-M335 HydrophobicContact CB-SD 4.09Å; M233-M335 HydrophobicContact CG-CE 4.35Å; M233-M335 HydrophobicContact CG-CG 4.46Å; M233-M335 HydrophobicContact CG-SD 3.49Å; M233-M335 WeakPolarHBondContact CG-SD 3.43Å; M233-Y340 HydrophobicContact SD-CD2 4.45Å; M233-Y347 HydrophobicContact CG-CE1 4.13Å; M233-Y347 HydrophobicContact SD-CE1 4.3Å
234	F	98.3	Very high	96.6	Very high	2 Å²	2	34 Å²	34	1%	0.009	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-48.3	175.8	176.1	-137.3	0	0	0	111.8	I133 L191 I217 Q219 F221 Y230 K231 I232 I236 N237 W238	I133-F234 HydrophobicContact CD1-CE2 4.18Å; I133-F234 HydrophobicContact CG1-CE2 3.99Å; L191-F234 HydrophobicContact CD1-CB 4.44Å; L191-F234 HydrophobicContact CD1-CD1 3.2Å; L191-F234 HydrophobicContact CD1-CE1 3.54Å; L191-F234 HydrophobicContact CD1-CG 4.06Å; L191-F234 HydrophobicContact CG-CD1 4.4Å; I217-F234 HydrophobicContact CB-CE1 4.17Å; I217-F234 HydrophobicContact CB-CZ 4.06Å; I217-F234 HydrophobicContact CD1-CE1 4.33Å; I217-F234 HydrophobicContact CD1-CZ 4.41Å; I217-F234 HydrophobicContact CG1-CE1 4.13Å; I217-F234 HydrophobicContact CG1-CZ 4.39Å; Q219-F234 HydrophobicContact CB-CB 4.47Å; Q219-F234 HydrophobicContact CB-CD1 3.61Å; Q219-F234 HydrophobicContact CB-CD2 3.9Å; Q219-F234 HydrophobicContact CB-CE1 3.77Å; Q219-F234 HydrophobicContact CB-CE2 4.03Å; Q219-F234 HydrophobicContact CB-CG 3.71Å; Q219-F234 HydrophobicContact CB-CZ 3.99Å; Q219-F234 HydrophobicContact CG-CD2 4.17Å; Q219-F234 HydrophobicContact CG-CE2 4.42Å; Q219-F234 HydrophobicContact CG-CG 4.32Å; Q219-F234 VanDerWaalsContact OE1-CB 3.28Å; F221-F234 HydrophobicContact CE1-CB 4.31Å; F221-F234 HydrophobicContact CE1-CD1 4.43Å; Y230-F234 WeakPolarHBondContact O-CB 2.99Å; Y230-F234 PolarHBondContact O-N 3.12Å; K231-F234 WeakPolarHBondContact O-CB 3.41Å; K231-F234 PolarHBondContact O-N 2.77Å; I232-F234 VanDerWaalsContact C-N 3.29Å; I232-F234 PolarHBondContact O-N 3.4Å; F234-I236 PolarHBondContact O-N 2.79Å; F234-N237 PolarHBondContact O-N 2.81Å; F234-W238 HydrophobicContact CD2-CB 4.44Å; F234-W238 HydrophobicContact CE2-CB 4.17Å; F234-W238 WeakPolarHBondContact O-CB 3.44Å; F234-W238 PolarHBondContact O-N 2.7Å
235	G	98.4	Very high	96.8	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-59.3	-45.4	179.7	0	0	0	0	0	113	L157 K231 I232 W238 A239	L157-G235 WeakPolarHBondContact CD1-O 3.27Å; K231-G235 PolarHBondContact O-N 3.39Å; I232-G235 PolarHBondContact O-N 3.03Å; G235-W238 PolarHBondContact O-N 3.26Å; G235-A239 WeakPolarHBondContact O-CB 3.17Å; G235-A239 PolarHBondContact O-N 3.4Å
236	I	98.6	Very high	97.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63.2	-48.7	175.9	-68	173.8	0	0	0	110.4	I232 F234 W238 A239 V240 F251 L323 A328 L331 N332 M335 L348	I232-I236 HydrophobicContact CG2-CD1 3.78Å; I232-I236 HydrophobicContact CG2-CG1 4.31Å; I232-I236 WeakPolarHBondContact O-CG1 3.34Å; I232-I236 PolarHBondContact O-N 2.6Å; F234-I236 PolarHBondContact O-N 2.79Å; I236-W238 VanDerWaalsContact C-N 3.31Å; I236-W238 PolarHBondContact O-N 3.23Å; I236-A239 PolarHBondContact O-N 2.97Å; I236-V240 HydrophobicContact CG2-CG2 4.36Å; I236-V240 WeakPolarHBondContact O-CB 3.36Å; I236-V240 VanDerWaalsContact O-CG2 3.29Å; I236-V240 WeakPolarHBondContact O-CG2 3.2Å; I236-V240 PolarHBondContact O-N 3.25Å; I236-F251 HydrophobicContact CG1-CE2 4.03Å; I236-F251 HydrophobicContact CG1-CZ 3.69Å; I236-L323 HydrophobicContact CD1-CD2 4.18Å; I236-L323 HydrophobicContact CG1-CD2 4.14Å; I236-A328 HydrophobicContact CG2-CB 4.32Å; I236-A328 WeakPolarHBondContact CG2-O 3.36Å; I236-L331 HydrophobicContact CD1-CB 4.38Å; I236-L331 HydrophobicContact CD1-CD1 4.21Å; I236-N332 HydrophobicContact CG2-CB 4.02Å; I236-M335 HydrophobicContact CB-CE 3.9Å; I236-M335 HydrophobicContact CD1-CE 4.06Å; I236-M335 HydrophobicContact CD1-SD 4.08Å; I236-M335 HydrophobicContact CG2-CE 3.73Å; I236-L348 HydrophobicContact CD1-CD2 4.11Å
237	N	98	Very high	97.4	Very high	60 Å²	60	30 Å²	30	32%	0.321	16%	0.156	S	C	.	.	H	α-helix	trans	-58.8	-45.1	179.5	-174.9	-93.2	0	0	0	111.8	M233 F234 V240 K241 N332	M233-N237 VanDerWaalsContact O-CB 3.29Å; M233-N237 WeakPolarHBondContact O-CB 3.47Å; M233-N237 PolarHBondContact O-N 3.14Å; F234-N237 PolarHBondContact O-N 2.81Å; N237-V240 PolarHBondContact O-N 3.49Å; N237-K241 WeakPolarHBondContact O-CB 3.45Å; N237-K241 PolarHBondContact O-N 3.03Å; N237-N332 WeakPolarHBondContact CA-OD1 3.42Å; N237-N332 PolarHBondContact ND2-OD1 2.81Å
238	W	98.4	Very high	97.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.4	-49.7	179.4	-174.7	96.4	0	0	0	111.5	S136 L157 L189 I217 F234 G235 I236 V240 K241 Y242 C243	S136-W238 PolarHBondContact O-NE1 3.12Å; L157-W238 HydrophobicContact CD2-CE3 4.48Å; L189-W238 HydrophobicContact CD1-CE3 4.16Å; L189-W238 HydrophobicContact CD1-CH2 3.13Å; L189-W238 HydrophobicContact CD1-CZ2 3.8Å; L189-W238 HydrophobicContact CD1-CZ3 3.33Å; I217-W238 HydrophobicContact CD1-CB 4.15Å; I217-W238 HydrophobicContact CD1-CD2 3.67Å; I217-W238 HydrophobicContact CD1-CE3 4.04Å; I217-W238 HydrophobicContact CD1-CG 3.66Å; I217-W238 HydrophobicContact CG2-CD2 4.38Å; I217-W238 HydrophobicContact CG2-CZ2 3.99Å; F234-W238 HydrophobicContact CD2-CB 4.44Å; F234-W238 HydrophobicContact CE2-CB 4.17Å; F234-W238 WeakPolarHBondContact O-CB 3.44Å; F234-W238 PolarHBondContact O-N 2.7Å; G235-W238 PolarHBondContact O-N 3.26Å; I236-W238 VanDerWaalsContact C-N 3.31Å; I236-W238 PolarHBondContact O-N 3.23Å; W238-V240 PolarHBondContact O-N 3.46Å; W238-K241 PolarHBondContact O-N 3.04Å; W238-Y242 AromaticContact CD1-CD2 3.55Å; W238-Y242 AromaticContact CD1-CE2 3.88Å; W238-Y242 HydrophobicContact CD2-CD2 4.16Å; W238-Y242 AromaticContact CE2-CD2 3.85Å; W238-Y242 AromaticContact CG-CD2 3.95Å; W238-Y242 HydrophobicContact CG-CD2 3.95Å; W238-Y242 AromaticContact NE1-CD2 3.46Å; W238-Y242 AromaticContact NE1-CE2 3.99Å; W238-Y242 PolarHBondContact O-N 3.48Å; W238-C243 WeakPolarHBondContact CH2-SG 3.4Å; W238-C243 HydrophobicContact CZ3-CB 4.3Å; W238-C243 WeakPolarHBondContact CZ3-SG 3.33Å
239	A	98.5	Very high	97.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.3	-43.9	-179.7	0	0	0	0	0	111.8	I155 L157 G235 I236 K241 C243 S244 I249 M325	I155-A239 HydrophobicContact CD1-CB 4.31Å; L157-A239 HydrophobicContact CD1-CB 4.3Å; G235-A239 WeakPolarHBondContact O-CB 3.17Å; G235-A239 PolarHBondContact O-N 3.4Å; I236-A239 PolarHBondContact O-N 2.97Å; A239-K241 VanDerWaalsContact C-N 3.31Å; A239-K241 PolarHBondContact O-N 3.49Å; A239-C243 CarbonylContact O-C 3.25Å; A239-C243 VanDerWaalsContact O-CA 3.31Å; A239-C243 WeakPolarHBondContact O-CA 3.24Å; A239-C243 PolarHBondContact O-N 3.31Å; A239-S244 PolarHBondContact O-N 3.04Å; A239-I249 HydrophobicContact CB-CD1 3.58Å; A239-I249 HydrophobicContact CB-CG1 4.22Å; A239-M325 HydrophobicContact CB-CE 4.24Å
240	V	98.2	Very high	97.7	Very high	19 Å²	19	27.5 Å²	27.5	12%	0.115	14%	0.141	C	C	.	.	H	α-helix	trans	-62.3	-39.3	176.4	169.4	0	0	0	0	111.4	I236 N237 W238 S244 M325 A328 R329 N332	I236-V240 HydrophobicContact CG2-CG2 4.36Å; I236-V240 WeakPolarHBondContact O-CB 3.36Å; I236-V240 VanDerWaalsContact O-CG2 3.29Å; I236-V240 WeakPolarHBondContact O-CG2 3.2Å; I236-V240 PolarHBondContact O-N 3.25Å; N237-V240 PolarHBondContact O-N 3.49Å; W238-V240 PolarHBondContact O-N 3.46Å; V240-S244 WeakPolarHBondContact O-CB 3.29Å; V240-M325 HydrophobicContact CG2-SD 4.04Å; V240-A328 HydrophobicContact CG2-CB 3.94Å; V240-R329 HydrophobicContact CG1-CG 4.01Å; V240-R329 HydrophobicContact CG2-CG 4.17Å; V240-N332 HydrophobicContact CG2-CB 4.25Å
241	K	97.5	Very high	97.8	Very high	126 Å²	126	25.3 Å²	25.3	55%	0.548	13%	0.132	S	C	.	.	H	α-helix	trans	-77.4	-44.7	-176.3	-174	175.3	-179.8	-170.9	0	113.3	N237 W238 A239	N237-K241 WeakPolarHBondContact O-CB 3.45Å; N237-K241 PolarHBondContact O-N 3.03Å; W238-K241 PolarHBondContact O-N 3.04Å; A239-K241 VanDerWaalsContact C-N 3.31Å; A239-K241 PolarHBondContact O-N 3.49Å
242	Y	97.3	Very high	97.8	Very high	55 Å²	55	24.7 Å²	24.7	22%	0.216	13%	0.129	C	C	.	.	H	α-helix	trans	-109.4	-13.4	-168.2	-61.3	-60.7	0	0	0	114.3	I133 H138 W238	I133-Y242 HydrophobicContact CD1-CE2 4.26Å; H138-Y242 HydrophobicContact CB-CD1 3.51Å; H138-Y242 HydrophobicContact CB-CD2 4.34Å; H138-Y242 HydrophobicContact CB-CE1 3.51Å; H138-Y242 HydrophobicContact CB-CE2 4.35Å; H138-Y242 HydrophobicContact CB-CG 3.93Å; W238-Y242 AromaticContact CD1-CD2 3.55Å; W238-Y242 AromaticContact CD1-CE2 3.88Å; W238-Y242 HydrophobicContact CD2-CD2 4.16Å; W238-Y242 AromaticContact CE2-CD2 3.85Å; W238-Y242 AromaticContact CG-CD2 3.95Å; W238-Y242 HydrophobicContact CG-CD2 3.95Å; W238-Y242 AromaticContact NE1-CD2 3.46Å; W238-Y242 AromaticContact NE1-CE2 3.99Å; W238-Y242 PolarHBondContact O-N 3.48Å
243	C	96.9	Very high	97.8	Very high	4 Å²	4	26.7 Å²	26.7	3%	0.027	14%	0.14	C	C	.	.			trans	-137.5	36.2	-175.2	-65.2	0	0	0	0	112.8	C141 I155 W238 A239 N245 V246 M325	C141-C243 HydrophobicContact CB-CB 3.88Å; C141-C243 WeakPolarHBondContact CB-SG 3.24Å; C141-C243 WeakPolarHBondContact SG-CB 3.31Å; C141-C243 CovalentContact SG-SG 2.01Å; C141-C243 PolarHBondContact SG-SG 2.8Å; I155-C243 HydrophobicContact CD1-CB 3.24Å; W238-C243 WeakPolarHBondContact CH2-SG 3.4Å; W238-C243 HydrophobicContact CZ3-CB 4.3Å; W238-C243 WeakPolarHBondContact CZ3-SG 3.33Å; A239-C243 CarbonylContact O-C 3.25Å; A239-C243 VanDerWaalsContact O-CA 3.31Å; A239-C243 WeakPolarHBondContact O-CA 3.24Å; A239-C243 PolarHBondContact O-N 3.31Å; C243-N245 PolarHBondContact O-N 2.88Å; C243-V246 HydrophobicContact CB-CG2 4.19Å; C243-V246 PolarHBondContact O-N 3.28Å; C243-M325 VanDerWaalsContact O-CE 3.29Å; C243-M325 WeakPolarHBondContact O-CE 3.48Å
244	S	96	Very high	97.8	Very high	39 Å²	39	26.2 Å²	26.2	27%	0.273	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-12.6	-168	100.5	0	0	0	0	115.2	A239 V240 M325 R329	A239-S244 PolarHBondContact O-N 3.04Å; V240-S244 WeakPolarHBondContact O-CB 3.29Å; S244-M325 WeakPolarHBondContact O-CG 3.32Å; S244-R329 PolarHBondContact O-NH2 2.95Å; S244-R329 PolarHBondContact OG-NH2 3.05Å
245	N	94.4	Very high	97.8	Very high	125 Å²	125	27.8 Å²	27.8	67%	0.668	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-11.9	179.6	-63.3	-24.7	0	0	0	113.7	C243	C243-N245 PolarHBondContact O-N 2.88Å
246	V	96.8	Very high	97.8	Very high	2 Å²	2	28 Å²	28	1%	0.012	15%	0.147	C	C	.	.			trans	-78.7	126	178.2	-173.3	0	0	0	0	108.4	P152 E153 I155 C243 I248 M325	P152-V246 HydrophobicContact CB-CG1 4.36Å; P152-V246 HydrophobicContact CB-CG2 3.82Å; P152-V246 HydrophobicContact CG-CG2 4.06Å; P152-V246 WeakPolarHBondContact O-CG1 3.22Å; E153-V246 VanDerWaalsContact C-CG1 3.5Å; I155-V246 HydrophobicContact CD1-CB 3.87Å; I155-V246 HydrophobicContact CD1-CG1 4.21Å; I155-V246 HydrophobicContact CD1-CG2 3.92Å; I155-V246 HydrophobicContact CG1-CB 3.79Å; I155-V246 HydrophobicContact CG1-CG1 3.57Å; I155-V246 HydrophobicContact CG1-CG2 3.91Å; C243-V246 HydrophobicContact CB-CG2 4.19Å; C243-V246 PolarHBondContact O-N 3.28Å; V246-I248 PolarHBondContact O-N 3.29Å; V246-M325 WeakPolarHBondContact O-CB 3.43Å; V246-M325 WeakPolarHBondContact O-CE 3.3Å
247	P	96.7	Very high	97.8	Very high	65 Å²	65	28 Å²	28	42%	0.422	15%	0.147	S	C	.	.	S	Bend	trans	-73	-30.8	-167.5	26	-34.7	0	0	0	113.9	E153 M325	E153-P247 WeakPolarHBondContact O-CD 3.21Å; E153-P247 WeakPolarHBondContact O-CG 3.31Å; P247-M325 PolarHBondContact O-N 3.43Å
248	I	98.4	Very high	97.8	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.7	-173	-59	173.9	0	0	0	110.3	L154 I155 V246 I267 L270 L278 F322	L154-I248 WeakPolarHBondContact CA-O 3.22Å; L154-I248 HydrophobicContact CD1-CB 4.09Å; L154-I248 HydrophobicContact CD1-CG2 3.71Å; I155-I248 PolarHBondContact N-O 2.86Å; V246-I248 PolarHBondContact O-N 3.29Å; I248-I267 HydrophobicContact CD1-CB 4.42Å; I248-I267 HydrophobicContact CD1-CD1 4.49Å; I248-I267 HydrophobicContact CD1-CG1 4.14Å; I248-I267 HydrophobicContact CD1-CG2 3.62Å; I248-L270 HydrophobicContact CD1-CD1 4.34Å; I248-L278 HydrophobicContact CD1-CD2 4.11Å; I248-L278 HydrophobicContact CG1-CD2 4.2Å; I248-L278 HydrophobicContact CG2-CD2 3.97Å; I248-F322 HydrophobicContact CG2-CD1 4.34Å
249	I	98.7	Very high	97.8	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.9	170	-49.8	166.6	0	0	0	107.2	I155 L157 A239 F251 F322 L323 M325 A328	I155-I249 CarbonylContact O-C 3.56Å; I155-I249 WeakPolarHBondContact O-CA 3.44Å; L157-I249 HydrophobicContact CD1-CG2 3.78Å; L157-I249 HydrophobicContact CG-CG2 4.06Å; A239-I249 HydrophobicContact CB-CD1 3.58Å; A239-I249 HydrophobicContact CB-CG1 4.22Å; I249-F251 HydrophobicContact CB-CE2 4.44Å; I249-F251 HydrophobicContact CG2-CD2 3.94Å; I249-F251 HydrophobicContact CG2-CE2 3.56Å; I249-F251 HydrophobicContact CG2-CZ 4.18Å; I249-F322 CarbonylContact O-C 3.48Å; I249-F322 WeakPolarHBondContact O-CA 3.44Å; I249-L323 HydrophobicContact CB-CB 4.48Å; I249-L323 PolarHBondContact N-O 2.85Å; I249-L323 PolarHBondContact O-N 3.46Å; I249-M325 HydrophobicContact CD1-CE 3.77Å; I249-M325 HydrophobicContact CD1-SD 4.29Å; I249-M325 HydrophobicContact CG1-CE 3.91Å; I249-A328 HydrophobicContact CD1-CB 3.69Å
250	M	98.8	Very high	97.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.1	169.1	175.8	-178.2	174	0	0	108.2	L154 I155 I156 L157 I258 V263 N320 F321 F322	L154-M250 HydrophobicContact CD1-CB 3.9Å; I155-M250 PolarHBondContact O-N 3.29Å; I156-M250 CarbonylContact C-O 3.59Å; I156-M250 VanDerWaalsContact CA-O 3.29Å; I156-M250 WeakPolarHBondContact CA-O 3.43Å; I156-M250 HydrophobicContact CD1-SD 3.93Å; I156-M250 HydrophobicContact CG1-CB 4.26Å; I156-M250 HydrophobicContact CG1-SD 4.26Å; I156-M250 HydrophobicContact CG2-CG 4.43Å; I156-M250 HydrophobicContact CG2-SD 4.43Å; L157-M250 PolarHBondContact N-O 2.85Å; M250-I258 HydrophobicContact CE-CB 4.41Å; M250-I258 HydrophobicContact CE-CD1 3.32Å; M250-I258 HydrophobicContact CE-CG1 3.71Å; M250-I258 HydrophobicContact CE-CG2 3.79Å; M250-V263 HydrophobicContact CE-CG2 4.25Å; M250-V263 HydrophobicContact SD-CG1 4.16Å; M250-V263 HydrophobicContact SD-CG2 4.46Å; M250-N320 WeakPolarHBondContact CE-ND2 3.34Å; M250-F321 CarbonylContact C-O 3.53Å; M250-F321 WeakPolarHBondContact CA-O 3.32Å; M250-F322 HydrophobicContact CB-CD1 3.96Å; M250-F322 HydrophobicContact CB-CE1 4.08Å; M250-F322 HydrophobicContact CE-CZ 4.31Å; M250-F322 HydrophobicContact CG-CD1 4.08Å; M250-F322 HydrophobicContact CG-CE1 3.85Å; M250-F322 HydrophobicContact CG-CZ 4.37Å; M250-F322 HydrophobicContact SD-CD1 4.4Å; M250-F322 HydrophobicContact SD-CE1 3.61Å; M250-F322 HydrophobicContact SD-CZ 3.99Å
251	F	98.8	Very high	97.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	142.9	169.6	-75.7	-91.3	0	0	0	109.4	L157 L191 I232 I236 I249 N320 F321 L323	L157-F251 HydrophobicContact CB-CD1 3.81Å; L157-F251 HydrophobicContact CB-CE1 3.78Å; L157-F251 HydrophobicContact CB-CG 4.45Å; L157-F251 HydrophobicContact CB-CZ 4.38Å; L157-F251 HydrophobicContact CD1-CD1 4.4Å; L157-F251 HydrophobicContact CD1-CE1 3.59Å; L157-F251 HydrophobicContact CD1-CE2 4.23Å; L157-F251 HydrophobicContact CD1-CZ 3.49Å; L157-F251 VanDerWaalsContact CD1-CZ 3.49Å; L157-F251 HydrophobicContact CG-CE1 4.34Å; L157-F251 WeakPolarHBondContact O-CA 3.46Å; L191-F251 HydrophobicContact CD2-CE1 4.2Å; I232-F251 HydrophobicContact CD1-CB 4.36Å; I232-F251 HydrophobicContact CD1-CD1 3.19Å; I232-F251 HydrophobicContact CD1-CE1 3.48Å; I232-F251 VanDerWaalsContact CD1-CE1 3.48Å; I232-F251 HydrophobicContact CD1-CG 3.86Å; I232-F251 HydrophobicContact CD1-CZ 4.35Å; I236-F251 HydrophobicContact CG1-CE2 4.03Å; I236-F251 HydrophobicContact CG1-CZ 3.69Å; I249-F251 HydrophobicContact CB-CE2 4.44Å; I249-F251 HydrophobicContact CG2-CD2 3.94Å; I249-F251 HydrophobicContact CG2-CE2 3.56Å; I249-F251 HydrophobicContact CG2-CZ 4.18Å; F251-N320 VanDerWaalsContact O-CA 3.29Å; F251-N320 WeakPolarHBondContact O-CA 3.48Å; F251-N320 PolarHBondContact O-ND2 2.9Å; F251-F321 HydrophobicContact CB-CD1 3.9Å; F251-F321 HydrophobicContact CB-CD2 4.41Å; F251-F321 HydrophobicContact CB-CE1 3.43Å; F251-F321 VanDerWaalsContact CB-CE1 3.43Å; F251-F321 HydrophobicContact CB-CE2 3.99Å; F251-F321 HydrophobicContact CB-CG 4.36Å; F251-F321 HydrophobicContact CB-CZ 3.48Å; F251-F321 VanDerWaalsContact CB-CZ 3.48Å; F251-F321 HydrophobicContact CD1-CZ 4.35Å; F251-F321 HydrophobicContact CD2-CD2 4.26Å; F251-F321 HydrophobicContact CD2-CE1 4.25Å; F251-F321 AromaticContact CD2-CE2 3.38Å; F251-F321 HydrophobicContact CD2-CE2 3.38Å; F251-F321 AromaticContact CD2-CZ 3.37Å; F251-F321 HydrophobicContact CD2-CZ 3.37Å; F251-F321 HydrophobicContact CE2-CE2 4.13Å; F251-F321 HydrophobicContact CE2-CZ 4.15Å; F251-F321 AromaticContact CG-CE1 3.95Å; F251-F321 HydrophobicContact CG-CE1 3.95Å; F251-F321 AromaticContact CG-CE2 3.94Å; F251-F321 HydrophobicContact CG-CE2 3.94Å; F251-F321 AromaticContact CG-CZ 3.47Å; F251-F321 HydrophobicContact CG-CZ 3.47Å; F251-F321 VanDerWaalsContact CG-CZ 3.47Å; F251-F321 PolarHBondContact N-O 3.5Å; F251-F321 PolarHBondContact O-N 3.43Å; F251-F321 VanDerWaalsContact O-N 3.08Å; F251-L323 HydrophobicContact CE2-CD2 4.15Å
252	V	98.7	Very high	97.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	143.5	178.7	62.1	0	0	0	0	111	I156 L157 I158 K159 W175 Y256 I258 G319 N320	I156-V252 HydrophobicContact CG2-CG1 3.64Å; L157-V252 PolarHBondContact O-N 3.46Å; L157-V252 VanDerWaalsContact O-N 3.16Å; I158-V252 CarbonylContact C-O 3.54Å; I158-V252 VanDerWaalsContact CA-O 3.3Å; I158-V252 WeakPolarHBondContact CA-O 3.36Å; I158-V252 HydrophobicContact CB-CG1 4.2Å; I158-V252 HydrophobicContact CG1-CG1 3.75Å; I158-V252 HydrophobicContact CG2-CG1 4.23Å; K159-V252 PolarHBondContact N-O 2.97Å; W175-V252 HydrophobicContact CH2-CG1 4Å; V252-Y256 HydrophobicContact CG2-CG 4.13Å; V252-I258 HydrophobicContact CB-CD1 4.45Å; V252-I258 HydrophobicContact CG2-CD1 3.65Å; V252-I258 HydrophobicContact CG2-CG1 4.01Å; V252-G319 CarbonylContact C-O 3.45Å; V252-G319 VanDerWaalsContact CA-O 3.23Å; V252-G319 WeakPolarHBondContact CA-O 3.4Å; V252-N320 HydrophobicContact CG2-CB 4.46Å
253	D	98.2	Very high	97.8	Very high	44 Å²	44	23.2 Å²	23.2	24%	0.235	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	150.8	169.6	-73.3	-25.9	0	0	0	111.8	K159 D255 Y256 G319	K159-D253 WeakPolarHBondContact CB-OD1 3.45Å; K159-D253 WeakPolarHBondContact CE-OD1 3.34Å; K159-D253 IonicContact NZ-OD1 3.57Å; K159-D253 PolarHBondContact NZ-OD1 3.08Å; K159-D253 IonicContact NZ-OD2 2.68Å; D253-D255 WeakPolarHBondContact CB-OD1 3.49Å; D253-D255 PolarHBondContact O-N 3.09Å; D253-Y256 HydrophobicContact CB-CD2 3.94Å; D253-Y256 HydrophobicContact CB-CE2 4.23Å; D253-Y256 PolarHBondContact O-N 2.84Å; D253-Y256 VanDerWaalsContact O-N 3.12Å; D253-G319 PolarHBondContact N-O 3.16Å; D253-G319 WeakPolarHBondContact OD2-CA 3.01Å
254	D	98.2	Very high	97.8	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.043	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	1.1	-177.9	74.4	14.9	0	0	0	115.9	I158 K159 S160 N164 R167 I171	I158-D254 HydrophobicContact CG2-CB 4.19Å; K159-D254 WeakPolarHBondContact O-CB 3.47Å; K159-D254 PolarHBondContact O-N 2.94Å; S160-D254 VanDerWaalsContact CA-OD2 3.26Å; S160-D254 WeakPolarHBondContact CA-OD2 3.5Å; S160-D254 VanDerWaalsContact CB-OD2 3.23Å; S160-D254 WeakPolarHBondContact CB-OD2 3.5Å; S160-D254 PolarHBondContact OG-OD2 2.83Å; N164-D254 VanDerWaalsContact CB-OD2 3.28Å; N164-D254 WeakPolarHBondContact CB-OD2 3.45Å; N164-D254 PolarHBondContact ND2-OD1 3.33Å; N164-D254 PolarHBondContact ND2-OD2 3.26Å; R167-D254 HydrophobicContact CB-CB 4.42Å; R167-D254 WeakPolarHBondContact CD-OD1 3.42Å; R167-D254 IonicContact CZ-OD1 2.94Å; R167-D254 IonicContact NE-OD1 3.77Å; R167-D254 IonicContact NH1-OD1 2.69Å; R167-D254 PolarHBondContact NH1-OD1 3.35Å; I171-D254 HydrophobicContact CD1-CB 4.05Å
255	D	97.8	Very high	97.9	Very high	34 Å²	34	24.6 Å²	24.6	18%	0.182	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	16.1	172.1	57.7	14.2	0	0	0	113.8	R167 D253 H385 G386 F387	R167-D255 IonicContact NH1-OD2 3.26Å; D253-D255 WeakPolarHBondContact CB-OD1 3.49Å; D253-D255 PolarHBondContact O-N 3.09Å; D255-H385 IonicContact OD1-CD2 2.78Å; D255-H385 PolarHBondContact OD1-CD2 3.23Å; D255-H385 IonicContact OD1-NE2 2.78Å; D255-H385 IonicContact OD2-NE2 3.23Å; D255-G386 PolarHBondContact O-N 3.49Å; D255-F387 CarbonylContact O-C 3.46Å; D255-F387 WeakPolarHBondContact O-CA 3.36Å; D255-F387 PolarHBondContact O-N 2.96Å
256	Y	98.5	Very high	98.1	Very high	6 Å²	6	20.4 Å²	20.4	2%	0.024	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	147.7	167.5	-82	-116.2	0	0	0	111.2	W175 V252 D253 N320 T367 S384 H385 Q393	W175-Y256 PolarHBondContact NE1-O 3.02Å; V252-Y256 HydrophobicContact CG2-CG 4.13Å; D253-Y256 HydrophobicContact CB-CD2 3.94Å; D253-Y256 HydrophobicContact CB-CE2 4.23Å; D253-Y256 PolarHBondContact O-N 2.84Å; D253-Y256 VanDerWaalsContact O-N 3.12Å; Y256-N320 HydrophobicContact CD1-CB 4.03Å; Y256-N320 HydrophobicContact CE1-CB 4.02Å; Y256-T367 WeakPolarHBondContact OH-CA 3.33Å; Y256-S384 CarbonylContact C-O 3.51Å; Y256-S384 VanDerWaalsContact CA-O 3.27Å; Y256-S384 WeakPolarHBondContact CA-O 3.47Å; Y256-H385 HydrophobicContact CD1-CB 4.41Å; Y256-H385 HydrophobicContact CD2-CB 4.28Å; Y256-H385 AromaticContact CD2-CD2 3.94Å; Y256-H385 HydrophobicContact CE1-CB 3.9Å; Y256-H385 HydrophobicContact CE2-CB 3.74Å; Y256-H385 AromaticContact CE2-CD2 3.47Å; Y256-H385 VanDerWaalsContact CE2-CD2 3.47Å; Y256-H385 WeakPolarHBondContact CE2-CD2 3.36Å; Y256-H385 AromaticContact CE2-CG 3.89Å; Y256-Q393 PolarHBondContact O-NE2 3.38Å
257	F	98.6	Very high	98.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.7	158.2	-175.2	-84.7	0	0	0	108.4	W175 M381 S383 S384 F387 Q393 L396 W397 L400	W175-F257 AromaticContact CD1-CD2 3.86Å; F257-M381 HydrophobicContact CD1-CE 3.96Å; F257-M381 HydrophobicContact CE1-CE 4.18Å; F257-S383 CarbonylContact O-C 3.51Å; F257-S383 VanDerWaalsContact O-CA 3.22Å; F257-S383 WeakPolarHBondContact O-CA 3.39Å; F257-S384 PolarHBondContact N-O 3.13Å; F257-S384 PolarHBondContact O-N 2.9Å; F257-F387 HydrophobicContact CB-CB 4.06Å; F257-F387 HydrophobicContact CB-CD1 3.94Å; F257-F387 HydrophobicContact CB-CD2 3.72Å; F257-F387 HydrophobicContact CB-CE1 4.36Å; F257-F387 HydrophobicContact CB-CE2 4.15Å; F257-F387 HydrophobicContact CB-CG 3.61Å; F257-F387 HydrophobicContact CB-CZ 4.45Å; F257-Q393 VanDerWaalsContact CD2-OE1 3.25Å; F257-Q393 WeakPolarHBondContact CE2-O 2.89Å; F257-L396 HydrophobicContact CB-CD2 3.86Å; F257-L396 HydrophobicContact CD1-CD2 3.45Å; F257-L396 VanDerWaalsContact CD1-CD2 3.45Å; F257-L396 HydrophobicContact CD1-CG 4.01Å; F257-L396 HydrophobicContact CD2-CB 4.07Å; F257-L396 HydrophobicContact CD2-CD2 3.88Å; F257-L396 HydrophobicContact CD2-CG 4.14Å; F257-L396 HydrophobicContact CE1-CD2 3.89Å; F257-L396 HydrophobicContact CE1-CG 3.93Å; F257-L396 HydrophobicContact CE2-CB 4.01Å; F257-L396 HydrophobicContact CE2-CD2 4.29Å; F257-L396 HydrophobicContact CE2-CG 4.07Å; F257-L396 HydrophobicContact CG-CB 4.48Å; F257-L396 HydrophobicContact CG-CD2 3.44Å; F257-L396 VanDerWaalsContact CG-CD2 3.44Å; F257-L396 HydrophobicContact CG-CG 4.12Å; F257-L396 HydrophobicContact CZ-CB 4.35Å; F257-L396 HydrophobicContact CZ-CD2 4.3Å; F257-L396 HydrophobicContact CZ-CG 3.96Å; F257-W397 HydrophobicContact CE2-CB 4.1Å; F257-W397 HydrophobicContact CE2-CE3 4.42Å; F257-W397 HydrophobicContact CZ-CB 4.45Å; F257-W397 HydrophobicContact CZ-CE3 4.21Å; F257-L400 HydrophobicContact CE1-CD1 3.63Å; F257-L400 HydrophobicContact CZ-CD1 4.03Å
258	I	98.6	Very high	98	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135.5	173.6	-60.2	-50.6	0	0	0	108.5	W175 W181 M250 V252 P260 V263	W175-I258 HydrophobicContact CB-CB 4.41Å; W175-I258 VanDerWaalsContact CB-O 3.22Å; W175-I258 WeakPolarHBondContact CB-O 3.39Å; W175-I258 HydrophobicContact CD2-CB 3.75Å; W175-I258 HydrophobicContact CD2-CG1 4.02Å; W175-I258 HydrophobicContact CE3-CB 3.79Å; W175-I258 HydrophobicContact CE3-CG1 3.92Å; W175-I258 HydrophobicContact CG-CB 4.03Å; W175-I258 HydrophobicContact CH2-CG1 4.02Å; W175-I258 HydrophobicContact CZ2-CG1 4.1Å; W175-I258 HydrophobicContact CZ3-CB 4.33Å; W175-I258 HydrophobicContact CZ3-CG1 3.93Å; W181-I258 HydrophobicContact CH2-CG2 3.97Å; W181-I258 HydrophobicContact CZ2-CG2 4.33Å; M250-I258 HydrophobicContact CE-CB 4.41Å; M250-I258 HydrophobicContact CE-CD1 3.32Å; M250-I258 HydrophobicContact CE-CG1 3.71Å; M250-I258 HydrophobicContact CE-CG2 3.79Å; V252-I258 HydrophobicContact CB-CD1 4.45Å; V252-I258 HydrophobicContact CG2-CD1 3.65Å; V252-I258 HydrophobicContact CG2-CG1 4.01Å; I258-P260 VanDerWaalsContact O-CD 3.3Å; I258-P260 WeakPolarHBondContact O-CD 3.3Å; I258-V263 HydrophobicContact CG2-CG2 3.55Å
259	Y	98.2	Very high	98	Very high	19 Å²	19	25.9 Å²	25.9	8%	0.075	15%	0.15	C	C	.	.			trans	-99.3	100.1	172.4	-170.3	-158	0	0	0	110.3	K261 N262 V263 I382 L400	Y259-K261 VanDerWaalsContact C-N 3.29Å; Y259-K261 HydrophobicContact CD2-CB 4.38Å; Y259-K261 HydrophobicContact CE1-CB 4.43Å; Y259-K261 HydrophobicContact CE2-CB 4Å; Y259-K261 PolarHBondContact O-N 3.26Å; Y259-N262 HydrophobicContact CD1-CB 4.16Å; Y259-N262 VanDerWaalsContact CD1-ND2 3.33Å; Y259-N262 WeakPolarHBondContact CD1-ND2 3.38Å; Y259-N262 PolarHBondContact O-N 3.41Å; Y259-N262 VanDerWaalsContact O-N 3.07Å; Y259-V263 PolarHBondContact O-N 2.97Å; Y259-I382 PolarHBondContact N-O 2.01Å; Y259-L400 HydrophobicContact CD1-CD1 4.42Å; Y259-L400 HydrophobicContact CD2-CD1 3.93Å; Y259-L400 HydrophobicContact CE2-CB 4.13Å; Y259-L400 HydrophobicContact CE2-CD1 4.13Å; Y259-L400 HydrophobicContact CG-CD1 4.1Å
260	P	98	Very high	97.9	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.013	15%	0.153	C	C	.	.	H	α-helix	trans	-55.8	-41	-169	-29.4	37.9	0	0	0	113.6	W175 C180 W181 I258 N262 V263 V264 W397 F405	W175-P260 HydrophobicContact CB-CG 4.03Å; C180-P260 VanDerWaalsContact O-CB 3.23Å; C180-P260 WeakPolarHBondContact O-CB 3.41Å; W181-P260 HydrophobicContact CD2-CB 3.83Å; W181-P260 HydrophobicContact CD2-CG 4.49Å; W181-P260 HydrophobicContact CE3-CB 4.03Å; W181-P260 HydrophobicContact CG-CB 4.3Å; W181-P260 HydrophobicContact CH2-CB 4.36Å; W181-P260 HydrophobicContact CZ2-CB 4.16Å; W181-P260 HydrophobicContact CZ2-CG 4.15Å; W181-P260 HydrophobicContact CZ3-CB 4.32Å; I258-P260 VanDerWaalsContact O-CD 3.3Å; I258-P260 WeakPolarHBondContact O-CD 3.3Å; P260-N262 VanDerWaalsContact C-N 3.3Å; P260-N262 PolarHBondContact O-N 3.47Å; P260-V263 PolarHBondContact O-N 3.44Å; P260-V264 WeakPolarHBondContact O-CG2 3.28Å; P260-V264 PolarHBondContact O-N 3.1Å; P260-W397 HydrophobicContact CG-CZ3 4.42Å; P260-F405 HydrophobicContact CB-CE1 4.43Å
261	K	97.1	Very high	97.7	Very high	109 Å²	109	29.4 Å²	29.4	47%	0.474	17%	0.173	S	C	.	.	H	α-helix	trans	-52.6	-46.8	178.4	-178	-178.5	176.9	-177.3	0	112.3	Y259 A265 F405	Y259-K261 VanDerWaalsContact C-N 3.29Å; Y259-K261 HydrophobicContact CD2-CB 4.38Å; Y259-K261 HydrophobicContact CE1-CB 4.43Å; Y259-K261 HydrophobicContact CE2-CB 4Å; Y259-K261 PolarHBondContact O-N 3.26Å; K261-A265 WeakPolarHBondContact O-CB 3.36Å; K261-A265 PolarHBondContact O-N 3.37Å; K261-F405 HydrophobicContact CB-CE1 4.39Å
262	N	98	Very high	97.5	Very high	29 Å²	29	34.1 Å²	34.1	16%	0.155	20%	0.202	C	C	.	.	H	α-helix	trans	-79.6	-28.1	-176.5	-72.2	-2.9	0	0	0	112.2	Y259 P260 Y266 Y379 E380 M381	Y259-N262 HydrophobicContact CD1-CB 4.16Å; Y259-N262 VanDerWaalsContact CD1-ND2 3.33Å; Y259-N262 WeakPolarHBondContact CD1-ND2 3.38Å; Y259-N262 PolarHBondContact O-N 3.41Å; Y259-N262 VanDerWaalsContact O-N 3.07Å; P260-N262 VanDerWaalsContact C-N 3.3Å; P260-N262 PolarHBondContact O-N 3.47Å; N262-Y266 VanDerWaalsContact O-CB 3.25Å; N262-Y266 WeakPolarHBondContact O-CB 3.37Å; N262-Y266 PolarHBondContact O-N 2.86Å; N262-Y379 PolarHBondContact ND2-O 2.79Å; N262-E380 VanDerWaalsContact ND2-C 3.26Å; N262-E380 WeakPolarHBondContact ND2-CA 3.41Å; N262-E380 PolarHBondContact ND2-O 3.33Å; N262-M381 WeakPolarHBondContact CB-O 3.49Å; N262-M381 PolarHBondContact ND2-O 3.45Å
263	V	98.4	Very high	97.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.6	-47.2	170.1	178.1	0	0	0	0	110.9	L154 W181 M250 I258 Y259 P260 Y266 I267 F322 I382	L154-V263 HydrophobicContact CD2-CG1 4.16Å; W181-V263 HydrophobicContact CH2-CB 4.13Å; W181-V263 HydrophobicContact CH2-CG1 4.08Å; W181-V263 HydrophobicContact CH2-CG2 4.27Å; W181-V263 HydrophobicContact CZ3-CB 3.71Å; W181-V263 HydrophobicContact CZ3-CG1 3.58Å; W181-V263 HydrophobicContact CZ3-CG2 4.35Å; M250-V263 HydrophobicContact CE-CG2 4.25Å; M250-V263 HydrophobicContact SD-CG1 4.16Å; M250-V263 HydrophobicContact SD-CG2 4.46Å; I258-V263 HydrophobicContact CG2-CG2 3.55Å; Y259-V263 PolarHBondContact O-N 2.97Å; P260-V263 PolarHBondContact O-N 3.44Å; V263-Y266 WeakPolarHBondContact O-CB 3.48Å; V263-Y266 PolarHBondContact O-N 2.93Å; V263-I267 HydrophobicContact CG1-CD1 3.88Å; V263-I267 WeakPolarHBondContact O-CG1 3.48Å; V263-I267 PolarHBondContact O-N 3.32Å; V263-F322 HydrophobicContact CG1-CE1 3.72Å; V263-F322 HydrophobicContact CG1-CZ 4Å; V263-F322 HydrophobicContact CG2-CZ 4.39Å; V263-I382 HydrophobicContact CG2-CG2 3.91Å
264	V	97.5	Very high	97.2	Very high	16 Å²	16	40.5 Å²	40.5	10%	0.097	23%	0.233	C	C	.	.	H	α-helix	trans	-59.4	-51.3	177.6	171.9	0	0	0	0	110.1	W181 R184 P260 Y266 I267 E268	W181-V264 HydrophobicContact CE3-CG2 3.9Å; R184-V264 HydrophobicContact CG-CG1 3.99Å; R184-V264 HydrophobicContact CG-CG2 4.11Å; P260-V264 WeakPolarHBondContact O-CG2 3.28Å; P260-V264 PolarHBondContact O-N 3.1Å; V264-Y266 VanDerWaalsContact C-N 3.28Å; V264-Y266 PolarHBondContact O-N 3.35Å; V264-I267 PolarHBondContact O-N 3.5Å; V264-E268 HydrophobicContact CG1-CG 4.32Å; V264-E268 WeakPolarHBondContact O-CB 3.44Å; V264-E268 WeakPolarHBondContact O-CG 3.34Å; V264-E268 PolarHBondContact O-N 3.5Å
265	A	97.6	Very high	97	Very high	55 Å²	55	44.3 Å²	44.3	46%	0.455	25%	0.246	S	C	.	.	H	α-helix	trans	-58.4	-39.4	178	0	0	0	0	0	112.7	K261 G269	K261-A265 WeakPolarHBondContact O-CB 3.36Å; K261-A265 PolarHBondContact O-N 3.37Å; A265-G269 PolarHBondContact O-N 3.28Å
266	Y	97.9	Very high	96.9	Very high	38 Å²	38	46.8 Å²	46.8	15%	0.149	26%	0.255	C	S	.	.	H	α-helix	trans	-61.7	-50.7	175.7	171.5	-114.1	0	0	0	111.9	N262 V263 V264 E268 G269 L270 S280 F322 L362 I382	N262-Y266 VanDerWaalsContact O-CB 3.25Å; N262-Y266 WeakPolarHBondContact O-CB 3.37Å; N262-Y266 PolarHBondContact O-N 2.86Å; V263-Y266 WeakPolarHBondContact O-CB 3.48Å; V263-Y266 PolarHBondContact O-N 2.93Å; V264-Y266 VanDerWaalsContact C-N 3.28Å; V264-Y266 PolarHBondContact O-N 3.35Å; Y266-E268 VanDerWaalsContact C-N 3.34Å; Y266-E268 PolarHBondContact O-N 3.1Å; Y266-G269 PolarHBondContact O-N 2.97Å; Y266-L270 HydrophobicContact CE1-CD1 4.31Å; Y266-L270 HydrophobicContact CE2-CD2 4.06Å; Y266-L270 PolarHBondContact O-N 2.98Å; Y266-S280 WeakPolarHBondContact OH-CB 3.41Å; Y266-S280 PolarHBondContact OH-OG 2.92Å; Y266-F322 HydrophobicContact CD1-CD1 4.5Å; Y266-F322 HydrophobicContact CD1-CD2 4.19Å; Y266-F322 HydrophobicContact CD1-CE1 4.25Å; Y266-F322 AromaticContact CD1-CE2 3.91Å; Y266-F322 HydrophobicContact CD1-CE2 3.91Å; Y266-F322 HydrophobicContact CD1-CG 4.47Å; Y266-F322 AromaticContact CD1-CZ 3.95Å; Y266-F322 HydrophobicContact CD1-CZ 3.95Å; Y266-F322 HydrophobicContact CE1-CD1 4.31Å; Y266-F322 AromaticContact CE1-CD2 3.63Å; Y266-F322 HydrophobicContact CE1-CD2 3.63Å; Y266-F322 HydrophobicContact CE1-CE1 4.47Å; Y266-F322 AromaticContact CE1-CE2 3.82Å; Y266-F322 HydrophobicContact CE1-CE2 3.82Å; Y266-F322 AromaticContact CE1-CG 3.9Å; Y266-F322 HydrophobicContact CE1-CG 3.9Å; Y266-F322 HydrophobicContact CE1-CZ 4.24Å; Y266-L362 HydrophobicContact CD2-CD2 4.43Å; Y266-L362 HydrophobicContact CE1-CD1 3.98Å; Y266-L362 HydrophobicContact CE2-CD1 4.23Å; Y266-L362 HydrophobicContact CE2-CD2 3.61Å; Y266-I382 HydrophobicContact CD2-CD1 4.42Å; Y266-I382 HydrophobicContact CG-CD1 4.17Å
267	I	97	Very high	96.8	Very high	18 Å²	18	51.2 Å²	51.2	9%	0.092	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-42.1	-178.8	-71.8	171	0	0	0	111.2	L154 I248 V263 V264 G269 L270 R275 F322	L154-I267 HydrophobicContact CD1-CD1 3.99Å; L154-I267 HydrophobicContact CD2-CD1 3.79Å; L154-I267 HydrophobicContact CG-CD1 4.34Å; I248-I267 HydrophobicContact CD1-CB 4.42Å; I248-I267 HydrophobicContact CD1-CD1 4.49Å; I248-I267 HydrophobicContact CD1-CG1 4.14Å; I248-I267 HydrophobicContact CD1-CG2 3.62Å; V263-I267 HydrophobicContact CG1-CD1 3.88Å; V263-I267 WeakPolarHBondContact O-CG1 3.48Å; V263-I267 PolarHBondContact O-N 3.32Å; V264-I267 PolarHBondContact O-N 3.5Å; I267-G269 VanDerWaalsContact C-N 3.31Å; I267-G269 PolarHBondContact O-N 2.88Å; I267-L270 WeakPolarHBondContact O-CB 3.2Å; I267-L270 PolarHBondContact O-N 3.23Å; I267-R275 PolarHBondContact O-NE 3.11Å; I267-R275 PolarHBondContact O-NH2 2.94Å; I267-R275 VanDerWaalsContact O-NH2 3.08Å; I267-F322 HydrophobicContact CD1-CE1 4.35Å
268	E	95.7	Very high	96.8	Very high	97 Å²	97	51.2 Å²	51.2	45%	0.453	28%	0.279	S	S	.	.	H	α-helix	trans	-62	-39.9	177.4	-72.5	179.8	155.7	0	0	112.1	R184 V264 Y266 L270 R275	R184-E268 IonicContact CZ-OE1 3.6Å; R184-E268 IonicContact NH1-OE1 3.64Å; R184-E268 PolarHBondContact NH1-OE1 3.44Å; V264-E268 HydrophobicContact CG1-CG 4.32Å; V264-E268 WeakPolarHBondContact O-CB 3.44Å; V264-E268 WeakPolarHBondContact O-CG 3.34Å; V264-E268 PolarHBondContact O-N 3.5Å; Y266-E268 VanDerWaalsContact C-N 3.34Å; Y266-E268 PolarHBondContact O-N 3.1Å; E268-L270 PolarHBondContact O-N 3.42Å; E268-R275 PolarHBondContact O-NH2 3.47Å
269	G	96.7	Very high	96.8	Very high	68 Å²	68	51.2 Å²	51.2	70%	0.701	28%	0.279	S	S	*	.	H	α-helix	trans	-69.3	-11.6	178.1	0	0	0	0	0	115.2	A265 Y266 I267	A265-G269 PolarHBondContact O-N 3.28Å; Y266-G269 PolarHBondContact O-N 2.97Å; I267-G269 VanDerWaalsContact C-N 3.31Å; I267-G269 PolarHBondContact O-N 2.88Å
270	L	96.6	Very high	96.8	Very high	14 Å²	14	50.3 Å²	50.3	7%	0.073	28%	0.276	C	S	.	.	S	Bend	trans	-74.5	128.2	177.3	-65.2	171.6	0	0	0	111.4	I248 Y266 I267 E268 L274 R275 L278	I248-L270 HydrophobicContact CD1-CD1 4.34Å; Y266-L270 HydrophobicContact CE1-CD1 4.31Å; Y266-L270 HydrophobicContact CE2-CD2 4.06Å; Y266-L270 PolarHBondContact O-N 2.98Å; I267-L270 WeakPolarHBondContact O-CB 3.2Å; I267-L270 PolarHBondContact O-N 3.23Å; E268-L270 PolarHBondContact O-N 3.42Å; L270-L274 HydrophobicContact CD2-CB 4.41Å; L270-R275 HydrophobicContact CB-CG 3.54Å; L270-R275 HydrophobicContact CD1-CG 4.14Å; L270-R275 PolarHBondContact O-NE 3.5Å; L270-R275 PolarHBondContact O-NH2 3.1Å; L270-L278 HydrophobicContact CD1-CD1 3.85Å; L270-L278 HydrophobicContact CD1-CD2 3.75Å; L270-L278 HydrophobicContact CD1-CG 4.41Å; L270-L278 HydrophobicContact CD2-CD1 4.19Å
271	S	96.4	Very high	96.8	Very high	60 Å²	60	50.2 Å²	50.2	42%	0.42	28%	0.275	S	S	.	.			trans	-64.3	156.7	169.1	74.6	0	0	0	0	111.8	E273 L274 R275	S271-E273 PolarHBondContact O-N 3.43Å; S271-L274 PolarHBondContact O-N 3.21Å; S271-L274 WeakPolarHBondContact OG-CB 3.23Å; S271-L274 WeakPolarHBondContact OG-CG 3.26Å; S271-L274 PolarHBondContact OG-N 3.02Å; S271-R275 WeakPolarHBondContact O-CG 3.36Å; S271-R275 PolarHBondContact O-N 3.44Å
272	T	94.4	Very high	96.9	Very high	99 Å²	99	48.3 Å²	48.3	61%	0.607	27%	0.265	S	S	*	.	H	α-helix	trans	-53.2	-40.4	178.3	-53.2	0	0	0	0	113	K276	T272-K276 WeakPolarHBondContact O-CG 3.28Å; T272-K276 PolarHBondContact O-N 3.35Å
273	E	94.5	Very high	96.9	Very high	109 Å²	109	47 Å²	47	51%	0.509	26%	0.259	S	S	.	.	H	α-helix	trans	-72.9	-41.4	-179.9	-60.1	-47.1	123.3	0	0	112.2	S271 R275 K276 L277	S271-E273 PolarHBondContact O-N 3.43Å; E273-R275 VanDerWaalsContact C-N 3.3Å; E273-R275 PolarHBondContact O-N 3.12Å; E273-K276 PolarHBondContact O-N 3.27Å; E273-K276 VanDerWaalsContact O-N 3.17Å; E273-K276 IonicContact OE1-NZ 3.3Å; E273-K276 PolarHBondContact OE1-NZ 3.1Å; E273-K276 IonicContact OE2-NZ 2.86Å; E273-K276 PolarHBondContact OE2-NZ 3.46Å; E273-K276 VanDerWaalsContact OE2-NZ 3.11Å; E273-L277 PolarHBondContact O-N 2.9Å
274	L	95.1	Very high	96.8	Very high	70 Å²	70	50.3 Å²	50.3	37%	0.366	27%	0.271	S	S	.	.	H	α-helix	trans	-63.3	-37.2	174.3	-71.6	176.5	0	0	0	111.7	L270 S271 K276 L277 L278 M360	L270-L274 HydrophobicContact CD2-CB 4.41Å; S271-L274 PolarHBondContact O-N 3.21Å; S271-L274 WeakPolarHBondContact OG-CB 3.23Å; S271-L274 WeakPolarHBondContact OG-CG 3.26Å; S271-L274 PolarHBondContact OG-N 3.02Å; L274-K276 VanDerWaalsContact C-N 3.26Å; L274-K276 PolarHBondContact O-N 3.49Å; L274-L277 CarbonylContact O-C 3.53Å; L274-L277 PolarHBondContact O-N 2.85Å; L274-L278 WeakPolarHBondContact O-CA 3.45Å; L274-L278 WeakPolarHBondContact O-CB 3.28Å; L274-L278 PolarHBondContact O-N 3.41Å; L274-M360 HydrophobicContact CD1-CE 4.36Å; L274-M360 HydrophobicContact CD2-CE 4.05Å; L274-M360 HydrophobicContact CD2-SD 4.18Å
275	R	95.4	Very high	96.7	Very high	87 Å²	87	55.1 Å²	55.1	33%	0.328	29%	0.288	S	S	.	.	H	α-helix	trans	-60.5	-32.9	175.5	-71.7	-178.3	-167.3	-171	1.9	112.6	I267 E268 L270 S271 E273 S324	I267-R275 PolarHBondContact O-NE 3.11Å; I267-R275 PolarHBondContact O-NH2 2.94Å; I267-R275 VanDerWaalsContact O-NH2 3.08Å; E268-R275 PolarHBondContact O-NH2 3.47Å; L270-R275 HydrophobicContact CB-CG 3.54Å; L270-R275 HydrophobicContact CD1-CG 4.14Å; L270-R275 PolarHBondContact O-NE 3.5Å; L270-R275 PolarHBondContact O-NH2 3.1Å; S271-R275 WeakPolarHBondContact O-CG 3.36Å; S271-R275 PolarHBondContact O-N 3.44Å; E273-R275 VanDerWaalsContact C-N 3.3Å; E273-R275 PolarHBondContact O-N 3.12Å; R275-S324 WeakPolarHBondContact O-CB 2.85Å
276	K	95.4	Very high	96.5	Very high	86 Å²	86	58.9 Å²	58.9	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-74.8	-29.2	177.6	-65.8	170.8	-172.1	160.7	0	113	T272 E273 L274 S324	T272-K276 WeakPolarHBondContact O-CG 3.28Å; T272-K276 PolarHBondContact O-N 3.35Å; E273-K276 PolarHBondContact O-N 3.27Å; E273-K276 VanDerWaalsContact O-N 3.17Å; E273-K276 IonicContact OE1-NZ 3.3Å; E273-K276 PolarHBondContact OE1-NZ 3.1Å; E273-K276 IonicContact OE2-NZ 2.86Å; E273-K276 PolarHBondContact OE2-NZ 3.46Å; E273-K276 VanDerWaalsContact OE2-NZ 3.11Å; L274-K276 VanDerWaalsContact C-N 3.26Å; L274-K276 PolarHBondContact O-N 3.49Å; K276-S324 PolarHBondContact O-OG 3.02Å; K276-S324 VanDerWaalsContact O-OG 3.12Å
277	L	95.8	Very high	96.2	Very high	99 Å²	99	58.2 Å²	58.2	52%	0.518	30%	0.303	S	S	.	.	S	Bend	trans	-99.2	4	-178.2	-59.8	176.2	0	0	0	112.8	E273 L274 I279 H357	E273-L277 PolarHBondContact O-N 2.9Å; L274-L277 CarbonylContact O-C 3.53Å; L274-L277 PolarHBondContact O-N 2.85Å; L277-I279 PolarHBondContact O-N 3.06Å; L277-I279 VanDerWaalsContact O-N 3.11Å; L277-H357 PolarHBondContact O-CE1 3.48Å; L277-H357 VanDerWaalsContact O-CE1 3.29Å; L277-H357 PolarHBondContact O-NE2 3.41Å
278	L	98.4	Very high	95.9	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.316	C	S	.	.			trans	-62.4	118	-166.3	-173.3	67.9	0	0	0	111.4	I248 L270 L274 S280 F322 L323 S324	I248-L278 HydrophobicContact CD1-CD2 4.11Å; I248-L278 HydrophobicContact CG1-CD2 4.2Å; I248-L278 HydrophobicContact CG2-CD2 3.97Å; L270-L278 HydrophobicContact CD1-CD1 3.85Å; L270-L278 HydrophobicContact CD1-CD2 3.75Å; L270-L278 HydrophobicContact CD1-CG 4.41Å; L270-L278 HydrophobicContact CD2-CD1 4.19Å; L274-L278 WeakPolarHBondContact O-CA 3.45Å; L274-L278 WeakPolarHBondContact O-CB 3.28Å; L274-L278 PolarHBondContact O-N 3.41Å; L278-S280 WeakPolarHBondContact CD1-OG 3.42Å; L278-F322 HydrophobicContact CD2-CB 3.84Å; L278-F322 HydrophobicContact CG-CB 4.22Å; L278-L323 CarbonylContact O-C 3.54Å; L278-L323 WeakPolarHBondContact O-CA 3.5Å; L278-S324 PolarHBondContact O-N 3.18Å; L278-S324 PolarHBondContact O-OG 3.42Å
279	I	98.6	Very high	95.8	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	118	147.7	-177.9	163.9	0	0	0	107.9	L277 V316 F322 L323 L327 L352 P359 M360	L277-I279 PolarHBondContact O-N 3.06Å; L277-I279 VanDerWaalsContact O-N 3.11Å; I279-V316 HydrophobicContact CD1-CG2 4.19Å; I279-V316 HydrophobicContact CG1-CG1 4.13Å; I279-V316 HydrophobicContact CG1-CG2 4.24Å; I279-F322 VanDerWaalsContact CA-O 3.24Å; I279-F322 WeakPolarHBondContact CA-O 3.26Å; I279-L323 HydrophobicContact CB-CD1 4.38Å; I279-L323 HydrophobicContact CD1-CD1 4.33Å; I279-L327 HydrophobicContact CB-CD2 3.73Å; I279-L327 HydrophobicContact CG2-CD2 3.63Å; I279-L352 HydrophobicContact CD1-CD1 3.62Å; I279-L352 HydrophobicContact CD1-CD2 3.9Å; I279-L352 HydrophobicContact CD1-CG 4.24Å; I279-L352 HydrophobicContact CG2-CD1 4.31Å; I279-L352 HydrophobicContact CG2-CD2 3.98Å; I279-P359 HydrophobicContact CG2-CB 4.12Å; I279-P359 WeakPolarHBondContact O-CA 3.46Å; I279-M360 PolarHBondContact O-N 2.96Å
280	S	98.6	Very high	95.5	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	142.6	-169.1	65.1	0	0	0	0	112.3	Y266 L278 F321 F322 M360	Y266-S280 WeakPolarHBondContact OH-CB 3.41Å; Y266-S280 PolarHBondContact OH-OG 2.92Å; L278-S280 WeakPolarHBondContact CD1-OG 3.42Å; S280-F321 CarbonylContact O-C 3.55Å; S280-F321 VanDerWaalsContact O-CA 3.24Å; S280-F321 WeakPolarHBondContact O-CA 3.43Å; S280-F321 WeakPolarHBondContact O-CB 3.36Å; S280-F322 PolarHBondContact N-O 3.16Å; S280-F322 PolarHBondContact O-N 3.39Å; S280-F322 WeakPolarHBondContact OG-CB 3.35Å; S280-M360 WeakPolarHBondContact CA-O 3.44Å; S280-M360 WeakPolarHBondContact CB-O 3.34Å
281	G	98.5	Very high	95.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.2	-165.9	-179.8	0	0	0	0	0	109.4	V283 M360 H361 L362	G281-V283 PolarHBondContact O-N 3.02Å; G281-V283 VanDerWaalsContact O-N 3.13Å; G281-M360 PolarHBondContact N-O 3.31Å; G281-M360 VanDerWaalsContact N-O 3.1Å; G281-H361 CarbonylContact O-C 3.58Å; G281-H361 WeakPolarHBondContact O-CA 3.45Å; G281-L362 PolarHBondContact O-N 3.11Å
282	Y	98.2	Very high	94.6	Very high	69 Å²	69	61.8 Å²	61.8	27%	0.271	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	112.1	167.8	-174.5	-87.3	0	0	0	109.1	W284 V316 A317 H361 T367	Y282-W284 HydrophobicContact CD1-CD2 4.16Å; Y282-W284 AromaticContact CD1-CE2 3.82Å; Y282-W284 HydrophobicContact CD1-CG 4.46Å; Y282-W284 HydrophobicContact CD1-CZ2 4.13Å; Y282-W284 AromaticContact CD1-NE1 3.94Å; Y282-W284 AromaticContact CE1-CD2 3.71Å; Y282-W284 HydrophobicContact CE1-CD2 3.71Å; Y282-W284 AromaticContact CE1-CE2 3.62Å; Y282-W284 AromaticContact CE1-CE3 3.85Å; Y282-W284 HydrophobicContact CE1-CE3 3.85Å; Y282-W284 HydrophobicContact CE1-CG 4.35Å; Y282-W284 AromaticContact CE1-CH2 3.87Å; Y282-W284 HydrophobicContact CE1-CH2 3.87Å; Y282-W284 AromaticContact CE1-CZ2 3.72Å; Y282-W284 HydrophobicContact CE1-CZ2 3.72Å; Y282-W284 AromaticContact CE1-CZ3 3.93Å; Y282-W284 HydrophobicContact CE1-CZ3 3.93Å; Y282-V316 CarbonylContact O-C 3.57Å; Y282-V316 WeakPolarHBondContact O-CA 3.35Å; Y282-A317 HydrophobicContact CD1-CB 4.46Å; Y282-A317 PolarHBondContact O-N 2.89Å; Y282-H361 AromaticContact CD2-CE1 3.61Å; Y282-H361 AromaticContact CE2-CE1 3.68Å; Y282-T367 WeakPolarHBondContact CB-OG1 3.29Å
283	V	98.5	Very high	93.5	Very high	3 Å²	3	62.1 Å²	62.1	2%	0.018	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	126.1	180	179.9	0	0	0	0	110.9	G281 Y285 P314 Y315 V316 P359 H361	G281-V283 PolarHBondContact O-N 3.02Å; G281-V283 VanDerWaalsContact O-N 3.13Å; V283-Y285 HydrophobicContact CB-CD2 4.48Å; V283-Y285 HydrophobicContact CB-CE2 3.77Å; V283-Y285 HydrophobicContact CG1-CD1 4.17Å; V283-Y285 HydrophobicContact CG1-CD2 4.09Å; V283-Y285 HydrophobicContact CG1-CE1 3.69Å; V283-Y285 HydrophobicContact CG1-CE2 3.61Å; V283-Y285 HydrophobicContact CG1-CG 4.35Å; V283-P314 HydrophobicContact CG1-CB 4.05Å; V283-Y315 CarbonylContact C-O 3.58Å; V283-Y315 WeakPolarHBondContact CA-O 3.35Å; V283-V316 HydrophobicContact CG2-CG1 4.04Å; V283-P359 HydrophobicContact CG1-CG 3.96Å; V283-P359 HydrophobicContact CG2-CB 3.83Å; V283-P359 HydrophobicContact CG2-CG 3.92Å; V283-H361 HydrophobicContact CB-CB 4.05Å; V283-H361 HydrophobicContact CG2-CB 4.03Å; V283-H361 PolarHBondContact N-ND1 3.12Å; V283-H361 VanDerWaalsContact N-ND1 3.11Å; V283-H361 PolarHBondContact O-ND1 3.44Å
284	W	96.5	Very high	92.1	Very high	69 Å²	69	62.3 Å²	62.3	26%	0.261	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	124.2	168	-66	102	0	0	0	109.9	Y282 A287 P314 Y315 T367 F368	Y282-W284 HydrophobicContact CD1-CD2 4.16Å; Y282-W284 AromaticContact CD1-CE2 3.82Å; Y282-W284 HydrophobicContact CD1-CG 4.46Å; Y282-W284 HydrophobicContact CD1-CZ2 4.13Å; Y282-W284 AromaticContact CD1-NE1 3.94Å; Y282-W284 AromaticContact CE1-CD2 3.71Å; Y282-W284 HydrophobicContact CE1-CD2 3.71Å; Y282-W284 AromaticContact CE1-CE2 3.62Å; Y282-W284 AromaticContact CE1-CE3 3.85Å; Y282-W284 HydrophobicContact CE1-CE3 3.85Å; Y282-W284 HydrophobicContact CE1-CG 4.35Å; Y282-W284 AromaticContact CE1-CH2 3.87Å; Y282-W284 HydrophobicContact CE1-CH2 3.87Å; Y282-W284 AromaticContact CE1-CZ2 3.72Å; Y282-W284 HydrophobicContact CE1-CZ2 3.72Å; Y282-W284 AromaticContact CE1-CZ3 3.93Å; Y282-W284 HydrophobicContact CE1-CZ3 3.93Å; W284-A287 HydrophobicContact CB-CB 4.38Å; W284-P314 WeakPolarHBondContact O-CA 3.31Å; W284-Y315 HydrophobicContact CB-CD1 4.42Å; W284-Y315 HydrophobicContact CB-CD2 4.19Å; W284-Y315 HydrophobicContact CB-CE1 3.99Å; W284-Y315 HydrophobicContact CB-CE2 3.79Å; W284-Y315 HydrophobicContact CB-CG 4.5Å; W284-Y315 AromaticContact CD1-CD2 3.81Å; W284-Y315 AromaticContact CD1-CE2 3.26Å; W284-Y315 AromaticContact CD1-CZ 3.88Å; W284-Y315 HydrophobicContact CG-CD2 4.37Å; W284-Y315 AromaticContact CG-CE2 3.74Å; W284-Y315 HydrophobicContact CG-CE2 3.74Å; W284-Y315 AromaticContact CG-CZ 3.9Å; W284-Y315 PolarHBondContact N-O 3.33Å; W284-Y315 PolarHBondContact O-N 3.21Å; W284-T367 HydrophobicContact CZ2-CG2 4.35Å; W284-F368 HydrophobicContact CH2-CB 3.94Å; W284-F368 HydrophobicContact CH2-CD2 4.05Å; W284-F368 HydrophobicContact CH2-CG 4.13Å; W284-F368 HydrophobicContact CZ2-CB 4.23Å; W284-F368 HydrophobicContact CZ2-CD2 4.49Å
285	Y	95.5	Very high	90.8	Very high	116 Å²	116	61.9 Å²	61.9	46%	0.455	32%	0.316	S	S	.	.			trans	-109.1	142.8	174	-61.6	-82.9	0	0	0	109.4	V283 A287 P314 H361	V283-Y285 HydrophobicContact CB-CD2 4.48Å; V283-Y285 HydrophobicContact CB-CE2 3.77Å; V283-Y285 HydrophobicContact CG1-CD1 4.17Å; V283-Y285 HydrophobicContact CG1-CD2 4.09Å; V283-Y285 HydrophobicContact CG1-CE1 3.69Å; V283-Y285 HydrophobicContact CG1-CE2 3.61Å; V283-Y285 HydrophobicContact CG1-CG 4.35Å; Y285-A287 PolarHBondContact O-N 3.19Å; Y285-P314 HydrophobicContact CD1-CB 4.03Å; Y285-P314 HydrophobicContact CD1-CG 4.07Å; Y285-P314 HydrophobicContact CE1-CB 4.08Å; Y285-P314 HydrophobicContact CE1-CG 4.34Å; Y285-H361 HydrophobicContact CE2-CB 4.42Å
286	N	92.3	Very high	89.3	Confident	135 Å²	135	62.8 Å²	62.8	72%	0.722	34%	0.335	S	S	*	.	S	Bend	trans	57.4	22.1	174.7	-51.3	-40.2	0	0	0	114.9	Y311	N286-Y311 WeakPolarHBondContact O-CD1 3.49Å
287	A	92.5	Very high	87.9	Confident	23 Å²	23	62.1 Å²	62.1	19%	0.19	33%	0.334	C	S	.	.			trans	-69.2	142.4	171.5	0	0	0	0	0	109.7	W284 Y285 Y311 Y312 Y315	W284-A287 HydrophobicContact CB-CB 4.38Å; Y285-A287 PolarHBondContact O-N 3.19Å; A287-Y311 WeakPolarHBondContact O-CA 2.95Å; A287-Y312 HydrophobicContact CB-CD2 4.38Å; A287-Y312 PolarHBondContact O-N 3Å; A287-Y315 HydrophobicContact CB-CE1 3.84Å; A287-Y315 WeakPolarHBondContact CB-OH 3.07Å
288	G	91.1	Very high	87	Confident	35 Å²	35	61.4 Å²	61.4	36%	0.361	33%	0.33	S	S	.	.			trans	-126.4	157.9	176.6	0	0	0	0	0	111.9
289	P	92	Very high	86.4	Confident	15 Å²	15	65.6 Å²	65.6	10%	0.097	35%	0.348	C	S	.	.			trans	-56.4	138	173.5	21.5	-32.4	0	0	0	111.7	R291 V302 Y307 R310 Y312	P289-R291 PolarHBondContact O-N 3.23Å; P289-V302 HydrophobicContact CB-CB 3.78Å; P289-V302 HydrophobicContact CB-CG1 4.33Å; P289-V302 HydrophobicContact CB-CG2 4.38Å; P289-Y307 HydrophobicContact CG-CD1 4.32Å; P289-R310 WeakPolarHBondContact CD-O 3.1Å; P289-Y312 WeakPolarHBondContact CA-OH 3.2Å; P289-Y312 HydrophobicContact CB-CE1 4.29Å; P289-Y312 HydrophobicContact CB-CE2 4.35Å; P289-Y312 VanDerWaalsContact CB-OH 3.31Å; P289-Y312 WeakPolarHBondContact CB-OH 3.18Å; P289-Y312 HydrophobicContact CG-CE1 4.49Å
290	V	91.2	Very high	85.8	Confident	44 Å²	44	70.3 Å²	70.3	27%	0.267	37%	0.366	S	S	.	.	B	Isolated β-bridge	trans	-71.7	111.9	167.1	-179.9	0	0	0	0	107.3	K292 W300 L301 V302	V290-K292 VanDerWaalsContact CG1-O 3.32Å; V290-K292 WeakPolarHBondContact CG1-O 3.31Å; V290-W300 HydrophobicContact CB-CB 4.41Å; V290-W300 HydrophobicContact CG2-CB 4.04Å; V290-L301 CarbonylContact O-C 3.56Å; V290-L301 WeakPolarHBondContact O-CA 3.43Å; V290-V302 PolarHBondContact O-N 3.21Å
291	R	90.3	Very high	85.4	Confident	76 Å²	76	73 Å²	73	29%	0.287	38%	0.38	S	S	.	.			trans	-94.8	-19.3	-175.7	-65.4	-56.1	-158.3	-156.4	-2.3	114.9	P289 V302 D303 D304 Y307 A308 P309	P289-R291 PolarHBondContact O-N 3.23Å; R291-V302 WeakPolarHBondContact CD-O 3.4Å; R291-V302 PolarHBondContact NH1-O 2.67Å; R291-D303 PolarHBondContact NH1-O 2.81Å; R291-D303 VanDerWaalsContact NH1-O 3.13Å; R291-D304 IonicContact CZ-OD1 2.7Å; R291-D304 IonicContact NE-OD1 3.81Å; R291-D304 PolarHBondContact NE-OD1 3.16Å; R291-D304 IonicContact NH1-OD1 2.77Å; R291-D304 IonicContact NH2-OD1 3.63Å; R291-D304 PolarHBondContact NH2-OD1 2.84Å; R291-Y307 PolarHBondContact NH1-O 3.31Å; R291-Y307 PolarHBondContact NH2-O 3.05Å; R291-A308 PolarHBondContact NH2-O 3.13Å; R291-P309 PolarHBondContact NH2-O 3.22Å
292	K	84.2	Confident	85	Confident	163 Å²	163	73 Å²	73	71%	0.709	38%	0.38	S	S	*	.	S	Bend	trans	-126.2	142.4	-177.6	-65.1	-177.2	179.8	-178.9	0	108.5	V290 I294	V290-K292 VanDerWaalsContact CG1-O 3.32Å; V290-K292 WeakPolarHBondContact CG1-O 3.31Å; K292-I294 PolarHBondContact O-N 2.89Å
293	N	71	Confident	84.6	Confident	105 Å²	105	73.9 Å²	73.9	56%	0.561	39%	0.39	S	S	*	.			trans	-61.4	111.1	170.3	-71.4	-4.2	0	0	0	108.3	D298 L301	N293-D298 WeakPolarHBondContact CB-OD1 2.99Å; N293-D298 PolarHBondContact OD1-OD1 2.77Å; N293-L301 WeakPolarHBondContact OD1-CD1 3.47Å; N293-L301 WeakPolarHBondContact OD1-CD2 3.41Å
294	I	64.4	Low	84.2	Confident	113 Å²	113	78.3 Å²	78.3	58%	0.579	41%	0.413	S	S	*	.			trans	-118.9	90.6	173.5	-59.4	168.5	0	0	0	105.4	K292 S296 H297	K292-I294 PolarHBondContact O-N 2.89Å; I294-S296 PolarHBondContact O-N 3.02Å; I294-H297 WeakPolarHBondContact O-CB 3.26Å; I294-H297 PolarHBondContact O-CD2 2.69Å; I294-H297 VanDerWaalsContact O-CD2 3.25Å; I294-H297 PolarHBondContact O-N 2.85Å
295	G	67.7	Low	83.9	Confident	61 Å²	61	83.6 Å²	83.6	63%	0.629	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	59.5	-132.8	175.4	0	0	0	0	0	114.5	H297	G295-H297 PolarHBondContact O-N 2.94Å
296	S	65.6	Low	83.6	Confident	106 Å²	106	80.5 Å²	80.5	74%	0.741	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-73.6	9.2	-174.1	57.9	0	0	0	0	115.2	I294	I294-S296 PolarHBondContact O-N 3.02Å
297	H	65.6	Low	83.6	Confident	73 Å²	73	74.4 Å²	74.4	34%	0.338	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-94.2	9.6	-177	-59	-47.9	0	0	0	114.1	I294 G295 K299 W300	I294-H297 WeakPolarHBondContact O-CB 3.26Å; I294-H297 PolarHBondContact O-CD2 2.69Å; I294-H297 VanDerWaalsContact O-CD2 3.25Å; I294-H297 PolarHBondContact O-N 2.85Å; G295-H297 PolarHBondContact O-N 2.94Å; H297-K299 PolarHBondContact O-N 3.27Å; H297-W300 HydrophobicContact CB-CE3 3.72Å; H297-W300 HydrophobicContact CB-CZ3 4.25Å; H297-W300 AromaticContact CE1-CH2 4Å; H297-W300 AromaticContact CE1-CZ3 3.36Å; H297-W300 WeakPolarHBondContact CE1-CZ3 3.28Å; H297-W300 AromaticContact CG-CE3 3.67Å; H297-W300 AromaticContact CG-CZ3 3.68Å; H297-W300 AromaticContact ND1-CE3 3.27Å; H297-W300 VanDerWaalsContact ND1-CE3 3.27Å; H297-W300 AromaticContact ND1-CH2 3.63Å; H297-W300 AromaticContact ND1-CZ3 2.85Å; H297-W300 WeakPolarHBondContact ND1-CZ3 3.33Å; H297-W300 WeakPolarHBondContact O-CA 3.45Å; H297-W300 WeakPolarHBondContact O-CB 3.41Å; H297-W300 PolarHBondContact O-N 3.44Å
298	D	76.2	Confident	83.5	Confident	83 Å²	83	76.2 Å²	76.2	44%	0.444	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-52.5	-32.5	-179.2	-68.1	-15.4	0	0	0	113.4	N293 W300 L301	N293-D298 WeakPolarHBondContact CB-OD1 2.99Å; N293-D298 PolarHBondContact OD1-OD1 2.77Å; D298-W300 PolarHBondContact O-N 3.45Å; D298-W300 VanDerWaalsContact O-N 3.16Å; D298-L301 VanDerWaalsContact O-CB 3.28Å; D298-L301 WeakPolarHBondContact O-CB 3.35Å; D298-L301 PolarHBondContact O-N 3.28Å; D298-L301 VanDerWaalsContact O-N 3.1Å
299	K	85.6	Confident	83.5	Confident	89 Å²	89	76.8 Å²	76.8	39%	0.387	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-61.7	-23.4	176	64.8	173.8	179.4	174.5	0	113.8	Y225 H297 R342	Y225-K299 HydrophobicContact CE1-CB 4.43Å; Y225-K299 HydrophobicContact CE1-CD 4.45Å; H297-K299 PolarHBondContact O-N 3.27Å; K299-R342 PolarHBondContact O-NH2 2.88Å
300	W	87.4	Confident	83.4	Confident	98 Å²	98	85.3 Å²	85.3	37%	0.371	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-95.9	1.4	179.7	-56.9	-36.6	0	0	0	113.3	Y225 V290 H297 D298 V302	Y225-W300 VanDerWaalsContact OH-CD1 3.28Å; Y225-W300 PolarHBondContact OH-NE1 3.45Å; Y225-W300 VanDerWaalsContact OH-NE1 3.12Å; V290-W300 HydrophobicContact CB-CB 4.41Å; V290-W300 HydrophobicContact CG2-CB 4.04Å; H297-W300 HydrophobicContact CB-CE3 3.72Å; H297-W300 HydrophobicContact CB-CZ3 4.25Å; H297-W300 AromaticContact CE1-CH2 4Å; H297-W300 AromaticContact CE1-CZ3 3.36Å; H297-W300 WeakPolarHBondContact CE1-CZ3 3.28Å; H297-W300 AromaticContact CG-CE3 3.67Å; H297-W300 AromaticContact CG-CZ3 3.68Å; H297-W300 AromaticContact ND1-CE3 3.27Å; H297-W300 VanDerWaalsContact ND1-CE3 3.27Å; H297-W300 AromaticContact ND1-CH2 3.63Å; H297-W300 AromaticContact ND1-CZ3 2.85Å; H297-W300 WeakPolarHBondContact ND1-CZ3 3.33Å; H297-W300 WeakPolarHBondContact O-CA 3.45Å; H297-W300 WeakPolarHBondContact O-CB 3.41Å; H297-W300 PolarHBondContact O-N 3.44Å; D298-W300 PolarHBondContact O-N 3.45Å; D298-W300 VanDerWaalsContact O-N 3.16Å; W300-V302 PolarHBondContact O-N 2.93Å
301	L	90.1	Very high	83.5	Confident	56 Å²	56	88.9 Å²	88.9	29%	0.293	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-64.4	124.1	-179.6	-175.4	78.6	0	0	0	111.3	V290 N293 D298 R342	V290-L301 CarbonylContact O-C 3.56Å; V290-L301 WeakPolarHBondContact O-CA 3.43Å; N293-L301 WeakPolarHBondContact OD1-CD1 3.47Å; N293-L301 WeakPolarHBondContact OD1-CD2 3.41Å; D298-L301 VanDerWaalsContact O-CB 3.28Å; D298-L301 WeakPolarHBondContact O-CB 3.35Å; D298-L301 PolarHBondContact O-N 3.28Å; D298-L301 VanDerWaalsContact O-N 3.1Å; L301-R342 PolarHBondContact O-NH1 3.42Å; L301-R342 PolarHBondContact O-NH2 2.81Å
302	V	90.2	Very high	83.7	Confident	0 Å²	0	86 Å²	86	0%	0	44%	0.436	C	S	.	.			trans	-125.6	119.8	175.5	-173.4	0	0	0	0	109.5	P289 V290 R291 W300 E306 Y312 F343	P289-V302 HydrophobicContact CB-CB 3.78Å; P289-V302 HydrophobicContact CB-CG1 4.33Å; P289-V302 HydrophobicContact CB-CG2 4.38Å; V290-V302 PolarHBondContact O-N 3.21Å; R291-V302 WeakPolarHBondContact CD-O 3.4Å; R291-V302 PolarHBondContact NH1-O 2.67Å; W300-V302 PolarHBondContact O-N 2.93Å; V302-E306 HydrophobicContact CG1-CB 3.9Å; V302-E306 HydrophobicContact CG1-CG 3.92Å; V302-Y312 WeakPolarHBondContact CG2-OH 3.4Å; V302-F343 HydrophobicContact CG2-CD2 4.25Å; V302-F343 HydrophobicContact CG2-CE2 3.34Å; V302-F343 HydrophobicContact CG2-CZ 3.99Å
303	D	89.9	Confident	84.1	Confident	89 Å²	89	78.9 Å²	78.9	48%	0.476	41%	0.406	S	S	.	.			trans	-74.9	154	176.9	-170.7	-86.6	0	0	0	111.3	R291 K305 E306 Y307	R291-D303 PolarHBondContact NH1-O 2.81Å; R291-D303 VanDerWaalsContact NH1-O 3.13Å; D303-K305 PolarHBondContact O-N 2.88Å; D303-K305 VanDerWaalsContact O-N 3.17Å; D303-K305 VanDerWaalsContact OD1-CB 3.31Å; D303-K305 WeakPolarHBondContact OD1-CB 3.32Å; D303-K305 VanDerWaalsContact OD1-CG 3.29Å; D303-K305 WeakPolarHBondContact OD1-CG 3.41Å; D303-K305 PolarHBondContact OD1-N 3.29Å; D303-E306 PolarHBondContact O-N 3.1Å; D303-Y307 PolarHBondContact O-N 3.34Å
304	D	89.6	Confident	85.4	Confident	96 Å²	96	76.2 Å²	76.2	51%	0.513	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.1	176.1	-68.7	-56.8	0	0	0	112.3	R291 Y307 A308	R291-D304 IonicContact CZ-OD1 2.7Å; R291-D304 IonicContact NE-OD1 3.81Å; R291-D304 PolarHBondContact NE-OD1 3.16Å; R291-D304 IonicContact NH1-OD1 2.77Å; R291-D304 IonicContact NH2-OD1 3.63Å; R291-D304 PolarHBondContact NH2-OD1 2.84Å; D304-Y307 CarbonylContact O-C 3.59Å; D304-Y307 VanDerWaalsContact O-C 3.25Å; D304-A308 VanDerWaalsContact O-CA 3.28Å; D304-A308 WeakPolarHBondContact O-CA 3.39Å; D304-A308 PolarHBondContact O-N 2.97Å
305	K	89.2	Confident	86.9	Confident	179 Å²	179	72 Å²	72	78%	0.778	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-30.9	173.3	-63.4	176.2	-173.6	175.7	0	113.3	Y102 D303	Y102-K305 PolarHBondContact OH-O 3.26Å; D303-K305 PolarHBondContact O-N 2.88Å; D303-K305 VanDerWaalsContact O-N 3.17Å; D303-K305 VanDerWaalsContact OD1-CB 3.31Å; D303-K305 WeakPolarHBondContact OD1-CB 3.32Å; D303-K305 VanDerWaalsContact OD1-CG 3.29Å; D303-K305 WeakPolarHBondContact OD1-CG 3.41Å; D303-K305 PolarHBondContact OD1-N 3.29Å
306	E	90.2	Very high	88.4	Confident	51 Å²	51	69.1 Å²	69.1	24%	0.238	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-29.9	178.3	-178.7	176.4	174.9	0	0	112.3	Y102 V302 D303 L341 R342	Y102-E306 WeakPolarHBondContact CE1-O 3.48Å; Y102-E306 VanDerWaalsContact CZ-O 3.27Å; Y102-E306 PolarHBondContact OH-O 3.24Å; V302-E306 HydrophobicContact CG1-CB 3.9Å; V302-E306 HydrophobicContact CG1-CG 3.92Å; D303-E306 PolarHBondContact O-N 3.1Å; E306-L341 HydrophobicContact CG-CD1 3.81Å; E306-R342 IonicContact OE1-NE 3.51Å; E306-R342 IonicContact OE1-NH1 3.68Å; E306-R342 IonicContact OE2-CZ 3.11Å; E306-R342 IonicContact OE2-NH1 2.8Å; E306-R342 PolarHBondContact OE2-NH1 3.19Å
307	Y	92.1	Very high	89.9	Confident	8 Å²	8	64.1 Å²	64.1	3%	0.031	31%	0.307	C	S	.	.			trans	-157.2	112.2	170.7	-172.8	-101.7	0	0	0	109	Y102 P289 R291 D303 D304 P309 Y311 Y312 P313 I350	Y102-Y307 AromaticContact CD1-CD2 3.75Å; Y102-Y307 HydrophobicContact CD1-CD2 3.75Å; Y102-Y307 HydrophobicContact CD1-CE2 4.03Å; Y102-Y307 HydrophobicContact CD2-CD2 4.23Å; Y102-Y307 HydrophobicContact CD2-CE2 4.42Å; Y102-Y307 AromaticContact CE1-CD2 3.76Å; Y102-Y307 HydrophobicContact CE1-CD2 3.76Å; Y102-Y307 HydrophobicContact CE1-CE2 4.49Å; Y102-Y307 HydrophobicContact CE2-CD2 4.25Å; Y102-Y307 HydrophobicContact CG-CD2 4.04Å; Y102-Y307 HydrophobicContact CG-CE2 4.04Å; Y102-Y307 WeakPolarHBondContact OH-CA 3.49Å; Y102-Y307 PolarHBondContact OH-N 3.41Å; P289-Y307 HydrophobicContact CG-CD1 4.32Å; R291-Y307 PolarHBondContact NH1-O 3.31Å; R291-Y307 PolarHBondContact NH2-O 3.05Å; D303-Y307 PolarHBondContact O-N 3.34Å; D304-Y307 CarbonylContact O-C 3.59Å; D304-Y307 VanDerWaalsContact O-C 3.25Å; Y307-P309 HydrophobicContact CD1-CB 4.37Å; Y307-P309 HydrophobicContact CD1-CG 4.5Å; Y307-P309 VanDerWaalsContact CD1-O 3.28Å; Y307-P309 WeakPolarHBondContact CD1-O 3.32Å; Y307-P309 HydrophobicContact CE1-CB 3.59Å; Y307-P309 HydrophobicContact CE1-CG 3.9Å; Y307-P309 VanDerWaalsContact CE1-O 3.25Å; Y307-P309 WeakPolarHBondContact CE1-O 3.23Å; Y307-P309 HydrophobicContact CE2-CG 4.2Å; Y307-Y311 PolarHBondContact OH-O 3.49Å; Y307-Y312 AromaticContact CD1-CD1 3.77Å; Y307-Y312 HydrophobicContact CD1-CD1 3.77Å; Y307-Y312 AromaticContact CD1-CE1 3.46Å; Y307-Y312 HydrophobicContact CD1-CE1 3.46Å; Y307-Y312 VanDerWaalsContact CD1-CE1 3.46Å; Y307-Y312 HydrophobicContact CD2-CE1 4.4Å; Y307-Y312 AromaticContact CE1-CD1 3.38Å; Y307-Y312 HydrophobicContact CE1-CD1 3.38Å; Y307-Y312 AromaticContact CE1-CE1 3.62Å; Y307-Y312 HydrophobicContact CE1-CE1 3.62Å; Y307-Y312 HydrophobicContact CE1-CG 4.49Å; Y307-Y312 HydrophobicContact CE2-CD1 4.32Å; Y307-Y312 HydrophobicContact CG-CD1 4.35Å; Y307-Y312 AromaticContact CG-CE1 3.87Å; Y307-Y312 HydrophobicContact CG-CE1 3.87Å; Y307-Y312 AromaticContact CZ-CD1 3.7Å; Y307-P313 WeakPolarHBondContact OH-CD 3.42Å; Y307-I350 HydrophobicContact CD2-CD1 3.97Å; Y307-I350 HydrophobicContact CE2-CD1 3.55Å; Y307-I350 HydrophobicContact CE2-CG1 4.05Å
308	A	90.7	Very high	91.3	Very high	61 Å²	61	60.9 Å²	60.9	50%	0.504	29%	0.294	S	S	.	.			trans	-79.2	-38.7	-174.2	0	0	0	0	0	114.6	Y102 R291 D304	Y102-A308 HydrophobicContact CE2-CB 4.37Å; R291-A308 PolarHBondContact NH2-O 3.13Å; D304-A308 VanDerWaalsContact O-CA 3.28Å; D304-A308 WeakPolarHBondContact O-CA 3.39Å; D304-A308 PolarHBondContact O-N 2.97Å
309	P	90.2	Very high	92.2	Very high	47 Å²	47	57.1 Å²	57.1	31%	0.305	28%	0.275	S	S	.	.	S	Bend	trans	-61.1	148.7	-178.7	-23.3	32.9	0	0	0	113.4	Y102 R291 Y307 Y311	Y102-P309 HydrophobicContact CD2-CG 4.49Å; R291-P309 PolarHBondContact NH2-O 3.22Å; Y307-P309 HydrophobicContact CD1-CB 4.37Å; Y307-P309 HydrophobicContact CD1-CG 4.5Å; Y307-P309 VanDerWaalsContact CD1-O 3.28Å; Y307-P309 WeakPolarHBondContact CD1-O 3.32Å; Y307-P309 HydrophobicContact CE1-CB 3.59Å; Y307-P309 HydrophobicContact CE1-CG 3.9Å; Y307-P309 VanDerWaalsContact CE1-O 3.25Å; Y307-P309 WeakPolarHBondContact CE1-O 3.23Å; Y307-P309 HydrophobicContact CE2-CG 4.2Å; P309-Y311 PolarHBondContact O-N 3.02Å
310	R	90.2	Very high	92.8	Very high	193 Å²	193	52.9 Å²	52.9	73%	0.728	26%	0.256	S	S	*	.	S	Bend	trans	-71.4	-27.4	-177.6	-176.2	175.3	178.5	-178.6	-0.1	113.9	P289	P289-R310 WeakPolarHBondContact CD-O 3.1Å
311	Y	92.8	Very high	93.4	Very high	119 Å²	119	48.3 Å²	48.3	47%	0.467	24%	0.239	S	C	.	.	S	Bend	trans	-130	142.6	-179.6	-62.6	-74.1	0	0	0	109.5	N286 A287 Y307 P309	N286-Y311 WeakPolarHBondContact O-CD1 3.49Å; A287-Y311 WeakPolarHBondContact O-CA 2.95Å; Y307-Y311 PolarHBondContact OH-O 3.49Å; P309-Y311 PolarHBondContact O-N 3.02Å
312	Y	93.8	Very high	93.8	Very high	17 Å²	17	45.6 Å²	45.6	7%	0.067	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-73	146.9	166.6	-58.7	-51	0	0	0	109.9	A287 P289 V302 Y307 Y315 V346	A287-Y312 HydrophobicContact CB-CD2 4.38Å; A287-Y312 PolarHBondContact O-N 3Å; P289-Y312 WeakPolarHBondContact CA-OH 3.2Å; P289-Y312 HydrophobicContact CB-CE1 4.29Å; P289-Y312 HydrophobicContact CB-CE2 4.35Å; P289-Y312 VanDerWaalsContact CB-OH 3.31Å; P289-Y312 WeakPolarHBondContact CB-OH 3.18Å; P289-Y312 HydrophobicContact CG-CE1 4.49Å; V302-Y312 WeakPolarHBondContact CG2-OH 3.4Å; Y307-Y312 AromaticContact CD1-CD1 3.77Å; Y307-Y312 HydrophobicContact CD1-CD1 3.77Å; Y307-Y312 AromaticContact CD1-CE1 3.46Å; Y307-Y312 HydrophobicContact CD1-CE1 3.46Å; Y307-Y312 VanDerWaalsContact CD1-CE1 3.46Å; Y307-Y312 HydrophobicContact CD2-CE1 4.4Å; Y307-Y312 AromaticContact CE1-CD1 3.38Å; Y307-Y312 HydrophobicContact CE1-CD1 3.38Å; Y307-Y312 AromaticContact CE1-CE1 3.62Å; Y307-Y312 HydrophobicContact CE1-CE1 3.62Å; Y307-Y312 HydrophobicContact CE1-CG 4.49Å; Y307-Y312 HydrophobicContact CE2-CD1 4.32Å; Y307-Y312 HydrophobicContact CG-CD1 4.35Å; Y307-Y312 AromaticContact CG-CE1 3.87Å; Y307-Y312 HydrophobicContact CG-CE1 3.87Å; Y307-Y312 AromaticContact CZ-CD1 3.7Å; Y312-Y315 HydrophobicContact CD2-CE1 4.09Å; Y312-Y315 HydrophobicContact CG-CE1 4.38Å; Y312-V346 HydrophobicContact CD1-CG1 3.26Å; Y312-V346 HydrophobicContact CD2-CG1 4.09Å; Y312-V346 HydrophobicContact CD2-CG2 3.96Å; Y312-V346 HydrophobicContact CE1-CG1 3.52Å; Y312-V346 HydrophobicContact CE2-CG1 4.29Å; Y312-V346 HydrophobicContact CE2-CG2 4Å; Y312-V346 HydrophobicContact CG-CG1 3.57Å; Y312-V346 HydrophobicContact CG-CG2 4.25Å
313	P	94.5	Very high	94.2	Very high	12 Å²	12	45.6 Å²	45.6	8%	0.078	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-62	160.8	166.4	26.4	-32.5	0	0	0	110.9	Y307 Y315 G349 I350 K353	Y307-P313 WeakPolarHBondContact OH-CD 3.42Å; P313-Y315 VanDerWaalsContact O-CD1 3.3Å; P313-Y315 WeakPolarHBondContact O-CD1 3.3Å; P313-Y315 PolarHBondContact O-N 3.32Å; P313-G349 VanDerWaalsContact CG-C 3.46Å; P313-G349 WeakPolarHBondContact CG-O 3.36Å; P313-I350 HydrophobicContact CG-CG1 4.09Å; P313-K353 HydrophobicContact CB-CB 3.79Å; P313-K353 HydrophobicContact CB-CD 3.95Å; P313-K353 HydrophobicContact CB-CG 4.04Å; P313-K353 HydrophobicContact CG-CB 4.06Å; P313-K353 HydrophobicContact CG-CD 4.29Å
314	P	96.3	Very high	94.6	Very high	50 Å²	50	41.4 Å²	41.4	33%	0.325	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-54	130.7	176.2	-25.1	34.4	0	0	0	112.1	V283 W284 Y285 P359	V283-P314 HydrophobicContact CG1-CB 4.05Å; W284-P314 WeakPolarHBondContact O-CA 3.31Å; Y285-P314 HydrophobicContact CD1-CB 4.03Å; Y285-P314 HydrophobicContact CD1-CG 4.07Å; Y285-P314 HydrophobicContact CE1-CB 4.08Å; Y285-P314 HydrophobicContact CE1-CG 4.34Å; P314-P359 HydrophobicContact CB-CG 4.29Å
315	Y	97.3	Very high	95	Very high	23 Å²	23	37.1 Å²	37.1	9%	0.09	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	148.5	-179.7	61.3	-94.6	0	0	0	112	V283 W284 A287 Y312 P313 D345 V346	V283-Y315 CarbonylContact C-O 3.58Å; V283-Y315 WeakPolarHBondContact CA-O 3.35Å; W284-Y315 HydrophobicContact CB-CD1 4.42Å; W284-Y315 HydrophobicContact CB-CD2 4.19Å; W284-Y315 HydrophobicContact CB-CE1 3.99Å; W284-Y315 HydrophobicContact CB-CE2 3.79Å; W284-Y315 HydrophobicContact CB-CG 4.5Å; W284-Y315 AromaticContact CD1-CD2 3.81Å; W284-Y315 AromaticContact CD1-CE2 3.26Å; W284-Y315 AromaticContact CD1-CZ 3.88Å; W284-Y315 HydrophobicContact CG-CD2 4.37Å; W284-Y315 AromaticContact CG-CE2 3.74Å; W284-Y315 HydrophobicContact CG-CE2 3.74Å; W284-Y315 AromaticContact CG-CZ 3.9Å; W284-Y315 PolarHBondContact N-O 3.33Å; W284-Y315 PolarHBondContact O-N 3.21Å; A287-Y315 HydrophobicContact CB-CE1 3.84Å; A287-Y315 WeakPolarHBondContact CB-OH 3.07Å; Y312-Y315 HydrophobicContact CD2-CE1 4.09Å; Y312-Y315 HydrophobicContact CG-CE1 4.38Å; P313-Y315 VanDerWaalsContact O-CD1 3.3Å; P313-Y315 WeakPolarHBondContact O-CD1 3.3Å; P313-Y315 PolarHBondContact O-N 3.32Å; Y315-D345 VanDerWaalsContact CB-O 3.31Å; Y315-D345 WeakPolarHBondContact CB-O 3.32Å; Y315-D345 HydrophobicContact CD2-CB 3.74Å; Y315-D345 HydrophobicContact CE2-CB 4.12Å; Y315-D345 WeakPolarHBondContact CE2-OD2 3.35Å; Y315-V346 HydrophobicContact CD1-CG2 4.27Å; Y315-V346 HydrophobicContact CE1-CG2 3.91Å; Y315-V346 HydrophobicContact CE2-CG2 4.26Å
316	V	98.3	Very high	95.4	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	137.3	169.9	-67.3	0	0	0	0	109.5	I279 Y282 V283 G318 F321 D345 P359	I279-V316 HydrophobicContact CD1-CG2 4.19Å; I279-V316 HydrophobicContact CG1-CG1 4.13Å; I279-V316 HydrophobicContact CG1-CG2 4.24Å; Y282-V316 CarbonylContact O-C 3.57Å; Y282-V316 WeakPolarHBondContact O-CA 3.35Å; V283-V316 HydrophobicContact CG2-CG1 4.04Å; V316-G318 PolarHBondContact O-N 3.13Å; V316-F321 HydrophobicContact CB-CB 3.9Å; V316-F321 HydrophobicContact CB-CG 4.44Å; V316-F321 HydrophobicContact CG1-CB 4.4Å; V316-F321 HydrophobicContact CG2-CB 3.7Å; V316-F321 HydrophobicContact CG2-CD1 4.06Å; V316-F321 HydrophobicContact CG2-CD2 4.1Å; V316-F321 HydrophobicContact CG2-CG 3.7Å; V316-D345 WeakPolarHBondContact O-CB 3.37Å; V316-P359 HydrophobicContact CG1-CB 3.63Å
317	A	97.5	Very high	95.8	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.008	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	137.6	175	0	0	0	0	0	111.5	Y282 G319 T367	Y282-A317 HydrophobicContact CD1-CB 4.46Å; Y282-A317 PolarHBondContact O-N 2.89Å; A317-G319 PolarHBondContact O-N 2.87Å; A317-G319 VanDerWaalsContact O-N 3.11Å; A317-T367 HydrophobicContact CB-CG2 3.43Å; A317-T367 VanDerWaalsContact CB-CG2 3.43Å
318	G	94.4	Very high	96.1	Very high	6 Å²	6	29.7 Å²	29.7	6%	0.062	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	-18	-174.7	0	0	0	0	0	114.7	K159 V316	K159-G318 WeakPolarHBondContact CE-O 3.36Å; K159-G318 PolarHBondContact NZ-O 3.42Å; V316-G318 PolarHBondContact O-N 3.13Å
319	G	96.3	Very high	96.5	Very high	4 Å²	4	30.7 Å²	30.7	4%	0.041	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	-28.4	-172.6	0	0	0	0	0	115.5	V252 D253 A317	V252-G319 CarbonylContact C-O 3.45Å; V252-G319 VanDerWaalsContact CA-O 3.23Å; V252-G319 WeakPolarHBondContact CA-O 3.4Å; D253-G319 PolarHBondContact N-O 3.16Å; D253-G319 WeakPolarHBondContact OD2-CA 3.01Å; A317-G319 PolarHBondContact O-N 2.87Å; A317-G319 VanDerWaalsContact O-N 3.11Å
320	N	98.5	Very high	96.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	125.9	167.3	175.6	-128.7	0	0	0	112.1	M250 F251 V252 Y256 V365 S383	M250-N320 WeakPolarHBondContact CE-ND2 3.34Å; F251-N320 VanDerWaalsContact O-CA 3.29Å; F251-N320 WeakPolarHBondContact O-CA 3.48Å; F251-N320 PolarHBondContact O-ND2 2.9Å; V252-N320 HydrophobicContact CG2-CB 4.46Å; Y256-N320 HydrophobicContact CD1-CB 4.03Å; Y256-N320 HydrophobicContact CE1-CB 4.02Å; N320-V365 HydrophobicContact CB-CG1 4.17Å; N320-S383 WeakPolarHBondContact OD1-CB 3.19Å; N320-S383 PolarHBondContact OD1-OG 3.3Å
321	F	98.8	Very high	97.3	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	158.9	171.9	65.9	-88.7	0	0	0	112	I232 M250 F251 S280 V316 L323 L348	I232-F321 HydrophobicContact CD1-CE1 4.3Å; I232-F321 HydrophobicContact CD1-CZ 4.18Å; M250-F321 CarbonylContact C-O 3.53Å; M250-F321 WeakPolarHBondContact CA-O 3.32Å; F251-F321 HydrophobicContact CB-CD1 3.9Å; F251-F321 HydrophobicContact CB-CD2 4.41Å; F251-F321 HydrophobicContact CB-CE1 3.43Å; F251-F321 VanDerWaalsContact CB-CE1 3.43Å; F251-F321 HydrophobicContact CB-CE2 3.99Å; F251-F321 HydrophobicContact CB-CG 4.36Å; F251-F321 HydrophobicContact CB-CZ 3.48Å; F251-F321 VanDerWaalsContact CB-CZ 3.48Å; F251-F321 HydrophobicContact CD1-CZ 4.35Å; F251-F321 HydrophobicContact CD2-CD2 4.26Å; F251-F321 HydrophobicContact CD2-CE1 4.25Å; F251-F321 AromaticContact CD2-CE2 3.38Å; F251-F321 HydrophobicContact CD2-CE2 3.38Å; F251-F321 AromaticContact CD2-CZ 3.37Å; F251-F321 HydrophobicContact CD2-CZ 3.37Å; F251-F321 HydrophobicContact CE2-CE2 4.13Å; F251-F321 HydrophobicContact CE2-CZ 4.15Å; F251-F321 AromaticContact CG-CE1 3.95Å; F251-F321 HydrophobicContact CG-CE1 3.95Å; F251-F321 AromaticContact CG-CE2 3.94Å; F251-F321 HydrophobicContact CG-CE2 3.94Å; F251-F321 AromaticContact CG-CZ 3.47Å; F251-F321 HydrophobicContact CG-CZ 3.47Å; F251-F321 VanDerWaalsContact CG-CZ 3.47Å; F251-F321 PolarHBondContact N-O 3.5Å; F251-F321 PolarHBondContact O-N 3.43Å; F251-F321 VanDerWaalsContact O-N 3.08Å; S280-F321 CarbonylContact O-C 3.55Å; S280-F321 VanDerWaalsContact O-CA 3.24Å; S280-F321 WeakPolarHBondContact O-CA 3.43Å; S280-F321 WeakPolarHBondContact O-CB 3.36Å; V316-F321 HydrophobicContact CB-CB 3.9Å; V316-F321 HydrophobicContact CB-CG 4.44Å; V316-F321 HydrophobicContact CG1-CB 4.4Å; V316-F321 HydrophobicContact CG2-CB 3.7Å; V316-F321 HydrophobicContact CG2-CD1 4.06Å; V316-F321 HydrophobicContact CG2-CD2 4.1Å; V316-F321 HydrophobicContact CG2-CG 3.7Å; F321-L323 HydrophobicContact CD2-CB 4.42Å; F321-L323 HydrophobicContact CE2-CB 4.28Å; F321-L348 HydrophobicContact CE1-CD1 4.18Å; F321-L348 HydrophobicContact CE2-CD1 4.05Å; F321-L348 HydrophobicContact CZ-CD1 3.62Å
322	F	98.8	Very high	97.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	148.6	172.7	-55.5	-93.9	0	0	0	109.6	I248 I249 M250 V263 Y266 I267 L278 I279 S280 L362 I382	I248-F322 HydrophobicContact CG2-CD1 4.34Å; I249-F322 CarbonylContact O-C 3.48Å; I249-F322 WeakPolarHBondContact O-CA 3.44Å; M250-F322 HydrophobicContact CB-CD1 3.96Å; M250-F322 HydrophobicContact CB-CE1 4.08Å; M250-F322 HydrophobicContact CE-CZ 4.31Å; M250-F322 HydrophobicContact CG-CD1 4.08Å; M250-F322 HydrophobicContact CG-CE1 3.85Å; M250-F322 HydrophobicContact CG-CZ 4.37Å; M250-F322 HydrophobicContact SD-CD1 4.4Å; M250-F322 HydrophobicContact SD-CE1 3.61Å; M250-F322 HydrophobicContact SD-CZ 3.99Å; V263-F322 HydrophobicContact CG1-CE1 3.72Å; V263-F322 HydrophobicContact CG1-CZ 4Å; V263-F322 HydrophobicContact CG2-CZ 4.39Å; Y266-F322 HydrophobicContact CD1-CD1 4.5Å; Y266-F322 HydrophobicContact CD1-CD2 4.19Å; Y266-F322 HydrophobicContact CD1-CE1 4.25Å; Y266-F322 AromaticContact CD1-CE2 3.91Å; Y266-F322 HydrophobicContact CD1-CE2 3.91Å; Y266-F322 HydrophobicContact CD1-CG 4.47Å; Y266-F322 AromaticContact CD1-CZ 3.95Å; Y266-F322 HydrophobicContact CD1-CZ 3.95Å; Y266-F322 HydrophobicContact CE1-CD1 4.31Å; Y266-F322 AromaticContact CE1-CD2 3.63Å; Y266-F322 HydrophobicContact CE1-CD2 3.63Å; Y266-F322 HydrophobicContact CE1-CE1 4.47Å; Y266-F322 AromaticContact CE1-CE2 3.82Å; Y266-F322 HydrophobicContact CE1-CE2 3.82Å; Y266-F322 AromaticContact CE1-CG 3.9Å; Y266-F322 HydrophobicContact CE1-CG 3.9Å; Y266-F322 HydrophobicContact CE1-CZ 4.24Å; I267-F322 HydrophobicContact CD1-CE1 4.35Å; L278-F322 HydrophobicContact CD2-CB 3.84Å; L278-F322 HydrophobicContact CG-CB 4.22Å; I279-F322 VanDerWaalsContact CA-O 3.24Å; I279-F322 WeakPolarHBondContact CA-O 3.26Å; S280-F322 PolarHBondContact N-O 3.16Å; S280-F322 PolarHBondContact O-N 3.39Å; S280-F322 WeakPolarHBondContact OG-CB 3.35Å; F322-L362 HydrophobicContact CD2-CD1 3.86Å; F322-L362 HydrophobicContact CE2-CD1 3.87Å; F322-I382 HydrophobicContact CE2-CG2 4.04Å; F322-I382 HydrophobicContact CZ-CG2 3.92Å
323	L	98.8	Very high	97.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	128.7	-177.7	176	64	0	0	0	108.9	I236 I249 F251 L278 I279 F321 L327 A328 L331	I236-L323 HydrophobicContact CD1-CD2 4.18Å; I236-L323 HydrophobicContact CG1-CD2 4.14Å; I249-L323 HydrophobicContact CB-CB 4.48Å; I249-L323 PolarHBondContact N-O 2.85Å; I249-L323 PolarHBondContact O-N 3.46Å; F251-L323 HydrophobicContact CE2-CD2 4.15Å; L278-L323 CarbonylContact O-C 3.54Å; L278-L323 WeakPolarHBondContact O-CA 3.5Å; I279-L323 HydrophobicContact CB-CD1 4.38Å; I279-L323 HydrophobicContact CD1-CD1 4.33Å; F321-L323 HydrophobicContact CD2-CB 4.42Å; F321-L323 HydrophobicContact CE2-CB 4.28Å; L323-L327 HydrophobicContact CD1-CB 3.87Å; L323-L327 HydrophobicContact CD1-CD2 3.81Å; L323-L327 HydrophobicContact CD1-CG 3.87Å; L323-A328 HydrophobicContact CD2-CB 3.74Å; L323-A328 HydrophobicContact CG-CB 4.07Å; L323-L331 HydrophobicContact CD1-CD1 3.66Å; L323-L331 HydrophobicContact CD2-CD1 3.93Å; L323-L331 HydrophobicContact CG-CD1 4.46Å
324	S	98.6	Very high	97.9	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.007	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	147.4	171.1	64.2	0	0	0	0	111	R275 K276 L278 N326 L327 A328	R275-S324 WeakPolarHBondContact O-CB 2.85Å; K276-S324 PolarHBondContact O-OG 3.02Å; K276-S324 VanDerWaalsContact O-OG 3.12Å; L278-S324 PolarHBondContact O-N 3.18Å; L278-S324 PolarHBondContact O-OG 3.42Å; S324-N326 PolarHBondContact O-N 3.42Å; S324-L327 PolarHBondContact O-N 3.49Å; S324-L327 WeakPolarHBondContact OG-CB 3.49Å; S324-L327 PolarHBondContact OG-N 2.93Å; S324-A328 WeakPolarHBondContact O-CB 3.33Å; S324-A328 PolarHBondContact O-N 2.71Å
325	M	98.3	Very high	97.9	Very high	6 Å²	6	15.5 Å²	15.5	3%	0.03	8%	0.075	C	C	.	.	H	α-helix	trans	-61.6	-32.3	172.3	-174.8	58	68.1	0	0	112.3	A239 V240 C243 S244 V246 P247 I249 A328 R329	A239-M325 HydrophobicContact CB-CE 4.24Å; V240-M325 HydrophobicContact CG2-SD 4.04Å; C243-M325 VanDerWaalsContact O-CE 3.29Å; C243-M325 WeakPolarHBondContact O-CE 3.48Å; S244-M325 WeakPolarHBondContact O-CG 3.32Å; V246-M325 WeakPolarHBondContact O-CB 3.43Å; V246-M325 WeakPolarHBondContact O-CE 3.3Å; P247-M325 PolarHBondContact O-N 3.43Å; I249-M325 HydrophobicContact CD1-CE 3.77Å; I249-M325 HydrophobicContact CD1-SD 4.29Å; I249-M325 HydrophobicContact CG1-CE 3.91Å; M325-A328 PolarHBondContact O-N 2.94Å; M325-A328 HydrophobicContact SD-CB 4.36Å; M325-R329 WeakPolarHBondContact O-CG 3.13Å; M325-R329 PolarHBondContact O-N 3.23Å
326	N	97.8	Very high	97.9	Very high	81 Å²	81	19 Å²	19	43%	0.433	9%	0.089	S	C	.	.	H	α-helix	trans	-62	-47.7	175.2	-75.1	-11.1	0	0	0	112	S324 R329 Q330	S324-N326 PolarHBondContact O-N 3.42Å; N326-R329 PolarHBondContact O-N 3.49Å; N326-Q330 PolarHBondContact O-N 2.98Å
327	L	98.4	Very high	97.8	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-71.8	-33.9	175.9	-172.8	61.3	0	0	0	111.4	I279 L323 S324 R329 Q330 L331 L352 L355	I279-L327 HydrophobicContact CB-CD2 3.73Å; I279-L327 HydrophobicContact CG2-CD2 3.63Å; L323-L327 HydrophobicContact CD1-CB 3.87Å; L323-L327 HydrophobicContact CD1-CD2 3.81Å; L323-L327 HydrophobicContact CD1-CG 3.87Å; S324-L327 PolarHBondContact O-N 3.49Å; S324-L327 WeakPolarHBondContact OG-CB 3.49Å; S324-L327 PolarHBondContact OG-N 2.93Å; L327-R329 VanDerWaalsContact C-N 3.29Å; L327-R329 PolarHBondContact O-N 2.93Å; L327-Q330 HydrophobicContact CD1-CB 4.39Å; L327-Q330 WeakPolarHBondContact O-CB 3.28Å; L327-Q330 PolarHBondContact O-N 2.86Å; L327-Q330 VanDerWaalsContact O-N 3.08Å; L327-L331 HydrophobicContact CG-CD1 4.31Å; L327-L331 HydrophobicContact CG-CG 4.29Å; L327-L331 WeakPolarHBondContact O-CG 3.43Å; L327-L331 PolarHBondContact O-N 3.35Å; L327-L352 HydrophobicContact CD2-CD2 4.06Å; L327-L355 HydrophobicContact CD1-CD1 4.33Å
328	A	98.7	Very high	97.7	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-57.6	-39.8	174.1	0	0	0	0	0	112.4	I236 V240 I249 L323 S324 M325 Q330 L331 N332	I236-A328 HydrophobicContact CG2-CB 4.32Å; I236-A328 WeakPolarHBondContact CG2-O 3.36Å; V240-A328 HydrophobicContact CG2-CB 3.94Å; I249-A328 HydrophobicContact CD1-CB 3.69Å; L323-A328 HydrophobicContact CD2-CB 3.74Å; L323-A328 HydrophobicContact CG-CB 4.07Å; S324-A328 WeakPolarHBondContact O-CB 3.33Å; S324-A328 PolarHBondContact O-N 2.71Å; M325-A328 PolarHBondContact O-N 2.94Å; M325-A328 HydrophobicContact SD-CB 4.36Å; A328-Q330 VanDerWaalsContact C-N 3.35Å; A328-Q330 PolarHBondContact O-N 3.19Å; A328-L331 PolarHBondContact O-N 2.99Å; A328-N332 VanDerWaalsContact O-CB 3.3Å; A328-N332 WeakPolarHBondContact O-CB 3.39Å; A328-N332 PolarHBondContact O-N 3.23Å
329	R	98.4	Very high	97.7	Very high	82 Å²	82	23.7 Å²	23.7	31%	0.309	11%	0.107	S	C	.	.	H	α-helix	trans	-61.7	-41.8	174	-71.1	172.1	-170.3	-89.5	5.6	112.2	L116 V240 S244 M325 N326 L327 I333	L116-R329 HydrophobicContact CD2-CB 4.42Å; V240-R329 HydrophobicContact CG1-CG 4.01Å; V240-R329 HydrophobicContact CG2-CG 4.17Å; S244-R329 PolarHBondContact O-NH2 2.95Å; S244-R329 PolarHBondContact OG-NH2 3.05Å; M325-R329 WeakPolarHBondContact O-CG 3.13Å; M325-R329 PolarHBondContact O-N 3.23Å; N326-R329 PolarHBondContact O-N 3.49Å; L327-R329 VanDerWaalsContact C-N 3.29Å; L327-R329 PolarHBondContact O-N 2.93Å; R329-I333 PolarHBondContact O-N 2.79Å
330	Q	98.4	Very high	97.6	Very high	59 Å²	59	25.9 Å²	25.9	28%	0.276	11%	0.114	S	C	.	.	H	α-helix	trans	-66.8	-46.7	176.9	-64.1	-179	63.4	0	0	111.4	V112 L116 N326 L327 A328 N332 I333 A334 L355	V112-Q330 HydrophobicContact CG1-CB 3.81Å; V112-Q330 HydrophobicContact CG1-CG 3.75Å; L116-Q330 HydrophobicContact CD1-CG 4.09Å; N326-Q330 PolarHBondContact O-N 2.98Å; L327-Q330 HydrophobicContact CD1-CB 4.39Å; L327-Q330 WeakPolarHBondContact O-CB 3.28Å; L327-Q330 PolarHBondContact O-N 2.86Å; L327-Q330 VanDerWaalsContact O-N 3.08Å; A328-Q330 VanDerWaalsContact C-N 3.35Å; A328-Q330 PolarHBondContact O-N 3.19Å; Q330-N332 VanDerWaalsContact C-N 3.34Å; Q330-N332 PolarHBondContact O-N 2.85Å; Q330-I333 PolarHBondContact O-N 3.16Å; Q330-I333 VanDerWaalsContact O-N 3.16Å; Q330-A334 WeakPolarHBondContact O-CB 3.32Å; Q330-A334 PolarHBondContact O-N 3.36Å; Q330-L355 HydrophobicContact CB-CD1 4.29Å
331	L	98.3	Very high	97.4	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-59.5	-43	175.7	-68.3	176	0	0	0	111.5	I236 L323 L327 A328 I333 A334 M335 L348 I351 L352 L355	I236-L331 HydrophobicContact CD1-CB 4.38Å; I236-L331 HydrophobicContact CD1-CD1 4.21Å; L323-L331 HydrophobicContact CD1-CD1 3.66Å; L323-L331 HydrophobicContact CD2-CD1 3.93Å; L323-L331 HydrophobicContact CG-CD1 4.46Å; L327-L331 HydrophobicContact CG-CD1 4.31Å; L327-L331 HydrophobicContact CG-CG 4.29Å; L327-L331 WeakPolarHBondContact O-CG 3.43Å; L327-L331 PolarHBondContact O-N 3.35Å; A328-L331 PolarHBondContact O-N 2.99Å; L331-I333 PolarHBondContact O-N 3.27Å; L331-I333 VanDerWaalsContact O-N 3.13Å; L331-A334 PolarHBondContact O-N 3.4Å; L331-A334 VanDerWaalsContact O-N 3.16Å; L331-M335 WeakPolarHBondContact O-CB 3.47Å; L331-M335 WeakPolarHBondContact O-CG 3.29Å; L331-M335 PolarHBondContact O-N 3.48Å; L331-L348 HydrophobicContact CD1-CD2 4.09Å; L331-L348 HydrophobicContact CD2-CD2 4.46Å; L331-I351 HydrophobicContact CD2-CB 4.1Å; L331-I351 HydrophobicContact CD2-CG2 3.42Å; L331-I351 VanDerWaalsContact CD2-CG2 3.42Å; L331-L352 HydrophobicContact CD2-CD2 4.43Å; L331-L355 HydrophobicContact CD2-CD1 3.96Å
332	N	98.1	Very high	97.1	Very high	36 Å²	36	28.1 Å²	28.1	19%	0.193	12%	0.123	C	C	.	.	H	α-helix	trans	-55.6	-32.1	177.7	-174.3	58.9	0	0	0	113	I236 N237 V240 A328 Q330	I236-N332 HydrophobicContact CG2-CB 4.02Å; N237-N332 WeakPolarHBondContact CA-OD1 3.42Å; N237-N332 PolarHBondContact ND2-OD1 2.81Å; V240-N332 HydrophobicContact CG2-CB 4.25Å; A328-N332 VanDerWaalsContact O-CB 3.3Å; A328-N332 WeakPolarHBondContact O-CB 3.39Å; A328-N332 PolarHBondContact O-N 3.23Å; Q330-N332 VanDerWaalsContact C-N 3.34Å; Q330-N332 PolarHBondContact O-N 2.85Å
333	I	97.9	Very high	96.9	Very high	18 Å²	18	28.8 Å²	28.8	9%	0.092	13%	0.126	C	C	.	.	H	α-helix	trans	-81.9	-53.3	173.5	-62.5	161.2	0	0	0	110.1	L111 V112 V115 L116 R329 Q330 L331 M335 R336 Y337	L111-I333 HydrophobicContact CD2-CG2 3.97Å; V112-I333 HydrophobicContact CG1-CD1 4.29Å; V112-I333 HydrophobicContact CG2-CB 4.17Å; V112-I333 HydrophobicContact CG2-CG2 3.94Å; V115-I333 HydrophobicContact CB-CD1 4.03Å; V115-I333 HydrophobicContact CB-CG2 3.96Å; V115-I333 HydrophobicContact CG1-CD1 3.64Å; V115-I333 HydrophobicContact CG1-CG1 3.88Å; V115-I333 HydrophobicContact CG1-CG2 3.93Å; V115-I333 HydrophobicContact CG2-CG2 4.04Å; L116-I333 HydrophobicContact CD2-CD1 3.49Å; L116-I333 VanDerWaalsContact CD2-CD1 3.49Å; L116-I333 HydrophobicContact CG-CD1 3.59Å; R329-I333 PolarHBondContact O-N 2.79Å; Q330-I333 PolarHBondContact O-N 3.16Å; Q330-I333 VanDerWaalsContact O-N 3.16Å; L331-I333 PolarHBondContact O-N 3.27Å; L331-I333 VanDerWaalsContact O-N 3.13Å; I333-M335 VanDerWaalsContact C-N 3.27Å; I333-M335 PolarHBondContact O-N 3.44Å; I333-R336 WeakPolarHBondContact O-CB 3.47Å; I333-R336 PolarHBondContact O-N 2.68Å; I333-Y337 HydrophobicContact CG2-CD2 4.5Å; I333-Y337 HydrophobicContact CG2-CE2 4.3Å; I333-Y337 WeakPolarHBondContact O-CD2 3.43Å
334	A	97.4	Very high	96.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.7	-29.5	-172.6	0	0	0	0	0	114	M108 V112 Q330 L331 R336 Y337 T338 I351 L355	M108-A334 HydrophobicContact CE-CB 4.46Å; M108-A334 HydrophobicContact CG-CB 3.9Å; M108-A334 HydrophobicContact SD-CB 3.61Å; V112-A334 HydrophobicContact CG2-CB 4.05Å; Q330-A334 WeakPolarHBondContact O-CB 3.32Å; Q330-A334 PolarHBondContact O-N 3.36Å; L331-A334 PolarHBondContact O-N 3.4Å; L331-A334 VanDerWaalsContact O-N 3.16Å; A334-R336 PolarHBondContact O-N 2.89Å; A334-Y337 CarbonylContact O-C 3.43Å; A334-Y337 PolarHBondContact O-N 3.45Å; A334-T338 PolarHBondContact O-N 2.95Å; A334-T338 PolarHBondContact O-OG1 3.37Å; A334-I351 HydrophobicContact CB-CG2 3.5Å; A334-I351 VanDerWaalsContact CB-CG2 3.5Å; A334-L355 HydrophobicContact CB-CD1 4.32Å; A334-L355 HydrophobicContact CB-CD2 4.42Å; A334-L355 HydrophobicContact CB-CG 4.48Å
335	M	97.7	Very high	96.8	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.025	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-58	-30.7	173.4	-75.2	-174.6	-59.4	0	0	112.2	N127 M233 I236 L331 I333 Y337 Y347 I351	N127-M335 PolarHBondContact ND2-O 2.93Å; N127-M335 VanDerWaalsContact ND2-O 3.08Å; M233-M335 HydrophobicContact CB-CE 4.39Å; M233-M335 HydrophobicContact CB-SD 4.09Å; M233-M335 HydrophobicContact CG-CE 4.35Å; M233-M335 HydrophobicContact CG-CG 4.46Å; M233-M335 HydrophobicContact CG-SD 3.49Å; M233-M335 WeakPolarHBondContact CG-SD 3.43Å; I236-M335 HydrophobicContact CB-CE 3.9Å; I236-M335 HydrophobicContact CD1-CE 4.06Å; I236-M335 HydrophobicContact CD1-SD 4.08Å; I236-M335 HydrophobicContact CG2-CE 3.73Å; L331-M335 WeakPolarHBondContact O-CB 3.47Å; L331-M335 WeakPolarHBondContact O-CG 3.29Å; L331-M335 PolarHBondContact O-N 3.48Å; I333-M335 VanDerWaalsContact C-N 3.27Å; I333-M335 PolarHBondContact O-N 3.44Å; M335-Y337 PolarHBondContact O-N 3.47Å; M335-Y347 WeakPolarHBondContact CA-OH 3.3Å; M335-Y347 HydrophobicContact CB-CE1 4.28Å; M335-Y347 WeakPolarHBondContact CB-OH 3.42Å; M335-Y347 HydrophobicContact CG-CE1 3.68Å; M335-Y347 PolarHBondContact O-OH 3.28Å; M335-Y347 HydrophobicContact SD-CE1 4.04Å; M335-I351 HydrophobicContact CB-CD1 4.26Å; M335-I351 HydrophobicContact CG-CD1 3.4Å; M335-I351 VanDerWaalsContact CG-CD1 3.4Å
336	R	96.7	Very high	96.7	Very high	98 Å²	98	30.8 Å²	30.8	37%	0.37	14%	0.136	S	C	.	.	G	3₁₀ helix	trans	-71.4	-21.3	178.2	-61.9	-179.7	72	-156	-0.8	113.5	P125 I126 N127 D128 I333 A334	P125-R336 CarbonylContact C-O 3.58Å; P125-R336 VanDerWaalsContact CA-O 3.3Å; P125-R336 WeakPolarHBondContact CA-O 3.48Å; P125-R336 HydrophobicContact CB-CB 4.16Å; P125-R336 WeakPolarHBondContact CB-O 3.41Å; I126-R336 PolarHBondContact N-O 2.99Å; N127-R336 PolarHBondContact N-O 3.15Å; N127-R336 VanDerWaalsContact O-CA 3.25Å; N127-R336 WeakPolarHBondContact O-CA 3.37Å; D128-R336 IonicContact OD1-NE 2.91Å; D128-R336 IonicContact OD1-NH2 3.36Å; D128-R336 IonicContact OD2-CZ 3.76Å; D128-R336 IonicContact OD2-NE 2.69Å; D128-R336 IonicContact OD2-NH2 3.25Å; D128-R336 PolarHBondContact OD2-NH2 2.88Å; I333-R336 WeakPolarHBondContact O-CB 3.47Å; I333-R336 PolarHBondContact O-N 2.68Å; A334-R336 PolarHBondContact O-N 2.89Å
337	Y	95.9	Very high	96.6	Very high	14 Å²	14	27 Å²	27	6%	0.055	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-111.9	18.2	-175.3	-63.7	-85.6	0	0	0	112.7	M104 L111 V121 S123 S124 P125 I333 A334 M335 K354	M104-Y337 HydrophobicContact SD-CD1 4.46Å; L111-Y337 HydrophobicContact CD1-CD1 3.68Å; L111-Y337 HydrophobicContact CD1-CD2 4.21Å; L111-Y337 HydrophobicContact CD1-CE1 3.77Å; L111-Y337 HydrophobicContact CD1-CE2 4.31Å; L111-Y337 HydrophobicContact CD1-CG 3.89Å; L111-Y337 HydrophobicContact CD2-CD2 3.59Å; L111-Y337 HydrophobicContact CD2-CE2 3.61Å; L111-Y337 HydrophobicContact CD2-CG 4.07Å; V121-Y337 WeakPolarHBondContact CG2-OH 3.18Å; S123-Y337 VanDerWaalsContact O-CE1 3.32Å; S123-Y337 WeakPolarHBondContact O-CE1 3.34Å; S124-Y337 VanDerWaalsContact C-CE1 3.5Å; P125-Y337 HydrophobicContact CG-CE1 4.14Å; P125-Y337 HydrophobicContact CG-CE2 4.45Å; I333-Y337 HydrophobicContact CG2-CD2 4.5Å; I333-Y337 HydrophobicContact CG2-CE2 4.3Å; I333-Y337 WeakPolarHBondContact O-CD2 3.43Å; A334-Y337 CarbonylContact O-C 3.43Å; A334-Y337 PolarHBondContact O-N 3.45Å; M335-Y337 PolarHBondContact O-N 3.47Å; Y337-K354 PolarHBondContact O-NZ 2.96Å
338	T	95.6	Very high	96.6	Very high	1 Å²	1	27 Å²	27	1%	0.006	12%	0.116	C	C	.	.	S	Bend	trans	-130.5	132.5	179	-54.9	0	0	0	0	108.8	N127 A334 Y340 Y347 I350 I351 K354	N127-T338 WeakPolarHBondContact CB-O 3.36Å; A334-T338 PolarHBondContact O-N 2.95Å; A334-T338 PolarHBondContact O-OG1 3.37Å; T338-Y340 PolarHBondContact O-N 3.17Å; T338-Y347 HydrophobicContact CG2-CD2 4.36Å; T338-Y347 HydrophobicContact CG2-CE2 3.81Å; T338-I350 HydrophobicContact CG2-CG2 3.88Å; T338-I351 HydrophobicContact CG2-CG1 3.88Å; T338-K354 HydrophobicContact CG2-CD 4.5Å
339	K	94.9	Very high	96.5	Very high	90 Å²	90	27 Å²	27	39%	0.391	12%	0.116	S	C	.	.			trans	-53.3	139	179.5	-139.4	164.9	155.5	-176.8	0	108	P103 L341 Y347	P103-K339 HydrophobicContact CB-CB 3.98Å; P103-K339 HydrophobicContact CB-CD 3.53Å; P103-K339 HydrophobicContact CB-CG 4.11Å; P103-K339 VanDerWaalsContact CD-CB 3.48Å; P103-K339 HydrophobicContact CG-CB 3.29Å; P103-K339 HydrophobicContact CG-CD 3.7Å; P103-K339 HydrophobicContact CG-CG 3.67Å; K339-L341 PolarHBondContact O-N 3.25Å; K339-Y347 WeakPolarHBondContact O-CE2 3.37Å
340	Y	94.7	Very high	96.4	Very high	50 Å²	50	23.4 Å²	23.4	20%	0.196	10%	0.103	C	C	.	.			trans	-52.3	129.1	161.2	-173.7	-95.9	0	0	0	110.7	Y226 N227 T229 Y230 M233 T338 R342	Y226-Y340 PolarHBondContact O-OH 2.97Å; N227-Y340 WeakPolarHBondContact CA-OH 3.37Å; T229-Y340 VanDerWaalsContact CB-CE2 3.49Å; T229-Y340 HydrophobicContact CG2-CD2 3.95Å; T229-Y340 HydrophobicContact CG2-CE2 3.61Å; Y230-Y340 AromaticContact CD1-CD2 3.97Å; Y230-Y340 HydrophobicContact CD1-CD2 3.97Å; Y230-Y340 AromaticContact CD1-CE2 3.58Å; Y230-Y340 HydrophobicContact CD1-CE2 3.58Å; Y230-Y340 AromaticContact CD2-CE2 3.72Å; Y230-Y340 HydrophobicContact CD2-CE2 3.72Å; Y230-Y340 AromaticContact CD2-CZ 3.87Å; Y230-Y340 AromaticContact CE1-CD2 3.43Å; Y230-Y340 HydrophobicContact CE1-CD2 3.43Å; Y230-Y340 VanDerWaalsContact CE1-CD2 3.43Å; Y230-Y340 AromaticContact CE1-CE2 3.4Å; Y230-Y340 HydrophobicContact CE1-CE2 3.4Å; Y230-Y340 VanDerWaalsContact CE1-CE2 3.4Å; Y230-Y340 HydrophobicContact CE1-CG 4.32Å; Y230-Y340 HydrophobicContact CE2-CD2 4.2Å; Y230-Y340 HydrophobicContact CE2-CE1 4.26Å; Y230-Y340 AromaticContact CE2-CE2 3.55Å; Y230-Y340 HydrophobicContact CE2-CE2 3.55Å; Y230-Y340 AromaticContact CE2-CZ 3.59Å; Y230-Y340 AromaticContact CG-CE2 3.73Å; Y230-Y340 HydrophobicContact CG-CE2 3.73Å; Y230-Y340 AromaticContact CZ-CD2 3.56Å; Y230-Y340 AromaticContact CZ-CE2 3.39Å; Y230-Y340 AromaticContact CZ-CZ 3.83Å; M233-Y340 HydrophobicContact SD-CD2 4.45Å; T338-Y340 PolarHBondContact O-N 3.17Å; Y340-R342 HydrophobicContact CE1-CB 4.07Å
341	L	93.8	Very high	96.3	Very high	3 Å²	3	20.6 Å²	20.6	2%	0.016	9%	0.09	C	C	.	.			trans	-126.5	140.8	165.7	-177.9	75.9	0	0	0	105.9	T229 E306 K339 F343 V346 Y347 I350	T229-L341 VanDerWaalsContact CB-O 3.31Å; T229-L341 WeakPolarHBondContact CB-O 3.19Å; T229-L341 WeakPolarHBondContact CG2-O 3.13Å; T229-L341 PolarHBondContact OG1-O 2.88Å; E306-L341 HydrophobicContact CG-CD1 3.81Å; K339-L341 PolarHBondContact O-N 3.25Å; L341-F343 VanDerWaalsContact C-N 3.31Å; L341-F343 HydrophobicContact CG-CD2 4.39Å; L341-F343 PolarHBondContact O-N 2.91Å; L341-V346 HydrophobicContact CD2-CB 3.81Å; L341-V346 HydrophobicContact CD2-CG1 3.37Å; L341-Y347 HydrophobicContact CB-CD2 4.21Å; L341-I350 HydrophobicContact CD2-CD1 3.82Å
342	R	92.5	Very high	96.2	Very high	46 Å²	46	20.6 Å²	20.6	17%	0.174	9%	0.09	C	C	.	.	S	Bend	trans	-77.3	-8.5	-169.2	69.4	-166.1	-162.5	-143.2	12.2	116	Y226 S228 K299 L301 E306 Y340	Y226-R342 WeakPolarHBondContact O-CB 3.49Å; S228-R342 PolarHBondContact OG-O 3.27Å; K299-R342 PolarHBondContact O-NH2 2.88Å; L301-R342 PolarHBondContact O-NH1 3.42Å; L301-R342 PolarHBondContact O-NH2 2.81Å; E306-R342 IonicContact OE1-NE 3.51Å; E306-R342 IonicContact OE1-NH1 3.68Å; E306-R342 IonicContact OE2-CZ 3.11Å; E306-R342 IonicContact OE2-NH1 2.8Å; E306-R342 PolarHBondContact OE2-NH1 3.19Å; Y340-R342 HydrophobicContact CE1-CB 4.07Å
343	F	94.9	Very high	96	Very high	14 Å²	14	22.4 Å²	22.4	6%	0.061	10%	0.096	C	C	.	.			trans	-100.9	112.5	176.7	-51.3	-75.1	0	0	0	108.5	Y225 T229 V302 L341 D345 V346 Y347	Y225-F343 HydrophobicContact CE1-CD1 4.42Å; Y225-F343 AromaticContact CE1-CE1 4Å; Y225-F343 HydrophobicContact CE1-CE1 4Å; T229-F343 VanDerWaalsContact OG1-C 3.31Å; V302-F343 HydrophobicContact CG2-CD2 4.25Å; V302-F343 HydrophobicContact CG2-CE2 3.34Å; V302-F343 HydrophobicContact CG2-CZ 3.99Å; L341-F343 VanDerWaalsContact C-N 3.31Å; L341-F343 HydrophobicContact CG-CD2 4.39Å; L341-F343 PolarHBondContact O-N 2.91Å; F343-D345 VanDerWaalsContact C-N 3.34Å; F343-D345 PolarHBondContact O-N 3.26Å; F343-V346 HydrophobicContact CB-CB 4.05Å; F343-V346 HydrophobicContact CB-CG2 3.99Å; F343-V346 PolarHBondContact O-N 3.14Å; F343-Y347 WeakPolarHBondContact O-CB 3.2Å; F343-Y347 PolarHBondContact O-N 3.2Å
344	D	96.5	Very high	95.8	Very high	14 Å²	14	21.6 Å²	21.6	8%	0.075	9%	0.092	C	C	.	.	H	α-helix	trans	-62.4	-41.2	-171.3	57.5	-15.8	0	0	0	112.6	K159 T229 I232 L348	K159-D344 IonicContact NZ-OD2 2.72Å; K159-D344 PolarHBondContact NZ-OD2 3.38Å; T229-D344 WeakPolarHBondContact OG1-CA 3.44Å; T229-D344 PolarHBondContact OG1-N 3.33Å; T229-D344 VanDerWaalsContact OG1-N 3.12Å; I232-D344 HydrophobicContact CB-CB 4.23Å; I232-D344 HydrophobicContact CG1-CB 3.74Å; I232-D344 WeakPolarHBondContact CG1-OD2 3.37Å; D344-L348 WeakPolarHBondContact O-CG 3.43Å; D344-L348 PolarHBondContact O-N 3.33Å
345	D	97.3	Very high	95.7	Very high	30 Å²	30	22.2 Å²	22.2	16%	0.16	10%	0.095	C	C	.	.	H	α-helix	trans	-63.3	-52	175.6	57	-3.5	0	0	0	113.2	Y315 V316 F343 Y347 L348 G349	Y315-D345 VanDerWaalsContact CB-O 3.31Å; Y315-D345 WeakPolarHBondContact CB-O 3.32Å; Y315-D345 HydrophobicContact CD2-CB 3.74Å; Y315-D345 HydrophobicContact CE2-CB 4.12Å; Y315-D345 WeakPolarHBondContact CE2-OD2 3.35Å; V316-D345 WeakPolarHBondContact O-CB 3.37Å; F343-D345 VanDerWaalsContact C-N 3.34Å; F343-D345 PolarHBondContact O-N 3.26Å; D345-Y347 VanDerWaalsContact C-N 3.32Å; D345-Y347 PolarHBondContact O-N 3.01Å; D345-L348 PolarHBondContact O-N 3.29Å; D345-G349 PolarHBondContact O-N 3.36Å
346	V	96.2	Very high	95.4	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.024	12%	0.124	C	C	.	.	H	α-helix	trans	-62.1	-41.7	176.3	-179.7	0	0	0	0	111.1	Y312 Y315 L341 F343 L348 G349 I350	Y312-V346 HydrophobicContact CD1-CG1 3.26Å; Y312-V346 HydrophobicContact CD2-CG1 4.09Å; Y312-V346 HydrophobicContact CD2-CG2 3.96Å; Y312-V346 HydrophobicContact CE1-CG1 3.52Å; Y312-V346 HydrophobicContact CE2-CG1 4.29Å; Y312-V346 HydrophobicContact CE2-CG2 4Å; Y312-V346 HydrophobicContact CG-CG1 3.57Å; Y312-V346 HydrophobicContact CG-CG2 4.25Å; Y315-V346 HydrophobicContact CD1-CG2 4.27Å; Y315-V346 HydrophobicContact CE1-CG2 3.91Å; Y315-V346 HydrophobicContact CE2-CG2 4.26Å; L341-V346 HydrophobicContact CD2-CB 3.81Å; L341-V346 HydrophobicContact CD2-CG1 3.37Å; F343-V346 HydrophobicContact CB-CB 4.05Å; F343-V346 HydrophobicContact CB-CG2 3.99Å; F343-V346 PolarHBondContact O-N 3.14Å; V346-L348 VanDerWaalsContact C-N 3.35Å; V346-L348 PolarHBondContact O-N 3.22Å; V346-G349 WeakPolarHBondContact O-CA 3.39Å; V346-G349 PolarHBondContact O-N 2.67Å; V346-G349 VanDerWaalsContact O-N 3.11Å; V346-I350 HydrophobicContact CG1-CD1 4.18Å; V346-I350 WeakPolarHBondContact O-CG1 3.43Å; V346-I350 PolarHBondContact O-N 3.02Å
347	Y	96.9	Very high	95.4	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	11%	0.114	C	C	.	.	H	α-helix	trans	-59.1	-45.7	177.2	177.1	-110.6	0	0	0	111.5	N127 T229 M233 M335 T338 K339 L341 F343 D345 G349 I350 I351	N127-Y347 PolarHBondContact ND2-OH 3.27Å; T229-Y347 HydrophobicContact CG2-CD1 3.33Å; T229-Y347 HydrophobicContact CG2-CD2 4.32Å; T229-Y347 HydrophobicContact CG2-CE1 3.68Å; T229-Y347 HydrophobicContact CG2-CG 3.65Å; M233-Y347 HydrophobicContact CG-CE1 4.13Å; M233-Y347 HydrophobicContact SD-CE1 4.3Å; M335-Y347 WeakPolarHBondContact CA-OH 3.3Å; M335-Y347 HydrophobicContact CB-CE1 4.28Å; M335-Y347 WeakPolarHBondContact CB-OH 3.42Å; M335-Y347 HydrophobicContact CG-CE1 3.68Å; M335-Y347 PolarHBondContact O-OH 3.28Å; M335-Y347 HydrophobicContact SD-CE1 4.04Å; T338-Y347 HydrophobicContact CG2-CD2 4.36Å; T338-Y347 HydrophobicContact CG2-CE2 3.81Å; K339-Y347 WeakPolarHBondContact O-CE2 3.37Å; L341-Y347 HydrophobicContact CB-CD2 4.21Å; F343-Y347 WeakPolarHBondContact O-CB 3.2Å; F343-Y347 PolarHBondContact O-N 3.2Å; D345-Y347 VanDerWaalsContact C-N 3.32Å; D345-Y347 PolarHBondContact O-N 3.01Å; Y347-G349 PolarHBondContact O-N 2.84Å; Y347-I350 PolarHBondContact O-N 2.8Å; Y347-I351 HydrophobicContact CD1-CD1 3.89Å; Y347-I351 HydrophobicContact CD2-CD1 4.47Å; Y347-I351 HydrophobicContact CE1-CD1 3.49Å; Y347-I351 VanDerWaalsContact CE1-CD1 3.49Å; Y347-I351 HydrophobicContact CE2-CD1 4.06Å; Y347-I351 HydrophobicContact CG-CD1 4.39Å; Y347-I351 WeakPolarHBondContact O-CG1 3.25Å; Y347-I351 PolarHBondContact O-N 3.01Å; Y347-I351 VanDerWaalsContact O-N 3.15Å
348	L	97.8	Very high	95.3	Very high	1 Å²	1	29 Å²	29	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-59.9	-44.8	172	-73.8	178.7	0	0	0	111.4	I232 I236 F321 L331 D344 D345 V346 I350 I351 L352	I232-L348 HydrophobicContact CG2-CD1 4.12Å; I232-L348 HydrophobicContact CG2-CD2 4.35Å; I232-L348 HydrophobicContact CG2-CG 4.39Å; I236-L348 HydrophobicContact CD1-CD2 4.11Å; F321-L348 HydrophobicContact CE1-CD1 4.18Å; F321-L348 HydrophobicContact CE2-CD1 4.05Å; F321-L348 HydrophobicContact CZ-CD1 3.62Å; L331-L348 HydrophobicContact CD1-CD2 4.09Å; L331-L348 HydrophobicContact CD2-CD2 4.46Å; D344-L348 WeakPolarHBondContact O-CG 3.43Å; D344-L348 PolarHBondContact O-N 3.33Å; D345-L348 PolarHBondContact O-N 3.29Å; V346-L348 VanDerWaalsContact C-N 3.35Å; V346-L348 PolarHBondContact O-N 3.22Å; L348-I350 VanDerWaalsContact C-N 3.32Å; L348-I350 PolarHBondContact O-N 3.13Å; L348-I351 PolarHBondContact O-N 3.03Å; L348-I351 VanDerWaalsContact O-N 3.1Å; L348-L352 VanDerWaalsContact O-CG 3.26Å; L348-L352 WeakPolarHBondContact O-CG 3.28Å; L348-L352 PolarHBondContact O-N 2.93Å
349	G	96.8	Very high	95.4	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-54.7	-43.8	175.5	0	0	0	0	0	113.8	P313 D345 V346 Y347 I351 L352 K353	P313-G349 VanDerWaalsContact CG-C 3.46Å; P313-G349 WeakPolarHBondContact CG-O 3.36Å; D345-G349 PolarHBondContact O-N 3.36Å; V346-G349 WeakPolarHBondContact O-CA 3.39Å; V346-G349 PolarHBondContact O-N 2.67Å; V346-G349 VanDerWaalsContact O-N 3.11Å; Y347-G349 PolarHBondContact O-N 2.84Å; G349-I351 VanDerWaalsContact C-N 3.34Å; G349-I351 PolarHBondContact O-N 2.69Å; G349-L352 PolarHBondContact O-N 3.17Å; G349-K353 PolarHBondContact O-N 2.86Å
350	I	95.5	Very high	95.5	Very high	6 Å²	6	28.2 Å²	28.2	3%	0.031	14%	0.141	C	C	.	.	H	α-helix	trans	-60.4	-46.3	176	-67.3	165	0	0	0	110.3	Y307 P313 T338 L341 V346 Y347 L348 K353 K354	Y307-I350 HydrophobicContact CD2-CD1 3.97Å; Y307-I350 HydrophobicContact CE2-CD1 3.55Å; Y307-I350 HydrophobicContact CE2-CG1 4.05Å; P313-I350 HydrophobicContact CG-CG1 4.09Å; T338-I350 HydrophobicContact CG2-CG2 3.88Å; L341-I350 HydrophobicContact CD2-CD1 3.82Å; V346-I350 HydrophobicContact CG1-CD1 4.18Å; V346-I350 WeakPolarHBondContact O-CG1 3.43Å; V346-I350 PolarHBondContact O-N 3.02Å; Y347-I350 PolarHBondContact O-N 2.8Å; L348-I350 VanDerWaalsContact C-N 3.32Å; L348-I350 PolarHBondContact O-N 3.13Å; I350-K353 WeakPolarHBondContact O-CB 3.28Å; I350-K353 PolarHBondContact O-N 3.17Å; I350-K354 HydrophobicContact CG2-CD 4.31Å; I350-K354 WeakPolarHBondContact O-CG 3.42Å; I350-K354 PolarHBondContact O-N 2.93Å
351	I	96.8	Very high	95.6	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-65.8	-41.3	179.9	-62.5	165.1	0	0	0	111.2	L331 A334 M335 T338 Y347 L348 G349 K353 K354 L355	L331-I351 HydrophobicContact CD2-CB 4.1Å; L331-I351 HydrophobicContact CD2-CG2 3.42Å; L331-I351 VanDerWaalsContact CD2-CG2 3.42Å; A334-I351 HydrophobicContact CB-CG2 3.5Å; A334-I351 VanDerWaalsContact CB-CG2 3.5Å; M335-I351 HydrophobicContact CB-CD1 4.26Å; M335-I351 HydrophobicContact CG-CD1 3.4Å; M335-I351 VanDerWaalsContact CG-CD1 3.4Å; T338-I351 HydrophobicContact CG2-CG1 3.88Å; Y347-I351 HydrophobicContact CD1-CD1 3.89Å; Y347-I351 HydrophobicContact CD2-CD1 4.47Å; Y347-I351 HydrophobicContact CE1-CD1 3.49Å; Y347-I351 VanDerWaalsContact CE1-CD1 3.49Å; Y347-I351 HydrophobicContact CE2-CD1 4.06Å; Y347-I351 HydrophobicContact CG-CD1 4.39Å; Y347-I351 WeakPolarHBondContact O-CG1 3.25Å; Y347-I351 PolarHBondContact O-N 3.01Å; Y347-I351 VanDerWaalsContact O-N 3.15Å; L348-I351 PolarHBondContact O-N 3.03Å; L348-I351 VanDerWaalsContact O-N 3.1Å; G349-I351 VanDerWaalsContact C-N 3.34Å; G349-I351 PolarHBondContact O-N 2.69Å; I351-K353 VanDerWaalsContact C-N 3.32Å; I351-K353 PolarHBondContact O-N 3.13Å; I351-K354 PolarHBondContact O-N 2.83Å; I351-L355 HydrophobicContact CG2-CD1 3.87Å; I351-L355 HydrophobicContact CG2-CG 4.28Å; I351-L355 WeakPolarHBondContact O-CB 3.44Å; I351-L355 WeakPolarHBondContact O-CG 3.44Å; I351-L355 PolarHBondContact O-N 3.36Å
352	L	96.5	Very high	95.8	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-58.9	-44.8	175.9	-67.5	171.3	0	0	0	111.1	I279 L327 L331 L348 G349 K354 L355 L356 H357 P359	I279-L352 HydrophobicContact CD1-CD1 3.62Å; I279-L352 HydrophobicContact CD1-CD2 3.9Å; I279-L352 HydrophobicContact CD1-CG 4.24Å; I279-L352 HydrophobicContact CG2-CD1 4.31Å; I279-L352 HydrophobicContact CG2-CD2 3.98Å; L327-L352 HydrophobicContact CD2-CD2 4.06Å; L331-L352 HydrophobicContact CD2-CD2 4.43Å; L348-L352 VanDerWaalsContact O-CG 3.26Å; L348-L352 WeakPolarHBondContact O-CG 3.28Å; L348-L352 PolarHBondContact O-N 2.93Å; G349-L352 PolarHBondContact O-N 3.17Å; L352-K354 VanDerWaalsContact C-N 3.35Å; L352-K354 PolarHBondContact O-N 2.73Å; L352-L355 CarbonylContact O-C 3.59Å; L352-L355 PolarHBondContact O-N 3.03Å; L352-L355 VanDerWaalsContact O-N 3.13Å; L352-L356 PolarHBondContact O-N 2.82Å; L352-L356 VanDerWaalsContact O-N 3.09Å; L352-H357 CarbonylContact C-O 3.6Å; L352-H357 HydrophobicContact CB-CB 4.48Å; L352-H357 HydrophobicContact CD2-CB 4.06Å; L352-H357 PolarHBondContact O-N 3.39Å; L352-P359 HydrophobicContact CD1-CB 4.31Å; L352-P359 HydrophobicContact CD1-CG 4.3Å
353	K	94.2	Very high	96	Very high	73 Å²	73	35.8 Å²	35.8	32%	0.317	18%	0.177	S	C	.	.	H	α-helix	trans	-55.2	-50.1	173.7	-165.5	-162.4	-170.3	-160.7	0	111.2	D98 D99 P313 G349 I350 I351 L355 L356	D98-K353 PolarHBondContact O-NZ 3.41Å; D99-K353 HydrophobicContact CB-CG 4.49Å; D99-K353 WeakPolarHBondContact OD1-CE 3.43Å; D99-K353 IonicContact OD1-NZ 3.8Å; P313-K353 HydrophobicContact CB-CB 3.79Å; P313-K353 HydrophobicContact CB-CD 3.95Å; P313-K353 HydrophobicContact CB-CG 4.04Å; P313-K353 HydrophobicContact CG-CB 4.06Å; P313-K353 HydrophobicContact CG-CD 4.29Å; G349-K353 PolarHBondContact O-N 2.86Å; I350-K353 WeakPolarHBondContact O-CB 3.28Å; I350-K353 PolarHBondContact O-N 3.17Å; I351-K353 VanDerWaalsContact C-N 3.32Å; I351-K353 PolarHBondContact O-N 3.13Å; K353-L355 VanDerWaalsContact C-N 3.26Å; K353-L355 PolarHBondContact O-N 2.65Å; K353-L356 PolarHBondContact O-N 3.47Å
354	K	93.6	Very high	96.1	Very high	1 Å²	1	38.5 Å²	38.5	0%	0.004	19%	0.189	C	C	.	.	H	α-helix	trans	-62.3	-33.4	178.7	-65	-179.2	85	164.6	0	112.3	D99 Y102 M104 M108 P109 Y337 T338 I350 I351 L352 L356	D99-K354 WeakPolarHBondContact O-CA 3.31Å; Y102-K354 PolarHBondContact O-NZ 2.74Å; M104-K354 PolarHBondContact O-NZ 2.87Å; M108-K354 HydrophobicContact CB-CB 3.89Å; M108-K354 WeakPolarHBondContact CB-O 3.26Å; M108-K354 HydrophobicContact CE-CB 4.45Å; M108-K354 HydrophobicContact CE-CD 4.05Å; M108-K354 HydrophobicContact CG-CB 4.17Å; P109-K354 VanDerWaalsContact CD-O 3.32Å; P109-K354 WeakPolarHBondContact CD-O 3.47Å; Y337-K354 PolarHBondContact O-NZ 2.96Å; T338-K354 HydrophobicContact CG2-CD 4.5Å; I350-K354 HydrophobicContact CG2-CD 4.31Å; I350-K354 WeakPolarHBondContact O-CG 3.42Å; I350-K354 PolarHBondContact O-N 2.93Å; I351-K354 PolarHBondContact O-N 2.83Å; L352-K354 VanDerWaalsContact C-N 3.35Å; L352-K354 PolarHBondContact O-N 2.73Å; K354-L356 PolarHBondContact O-N 3.31Å
355	L	94.3	Very high	96.2	Very high	14 Å²	14	37.9 Å²	37.9	7%	0.073	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	1.4	175	-70.8	174.3	0	0	0	113.9	M108 V112 L327 Q330 L331 A334 I351 L352 K353 H357	M108-L355 HydrophobicContact CB-CD2 4.42Å; M108-L355 HydrophobicContact CG-CD2 3.68Å; M108-L355 HydrophobicContact CG-CG 4.18Å; V112-L355 HydrophobicContact CB-CD2 4.45Å; V112-L355 HydrophobicContact CG2-CD2 4Å; L327-L355 HydrophobicContact CD1-CD1 4.33Å; Q330-L355 HydrophobicContact CB-CD1 4.29Å; L331-L355 HydrophobicContact CD2-CD1 3.96Å; A334-L355 HydrophobicContact CB-CD1 4.32Å; A334-L355 HydrophobicContact CB-CD2 4.42Å; A334-L355 HydrophobicContact CB-CG 4.48Å; I351-L355 HydrophobicContact CG2-CD1 3.87Å; I351-L355 HydrophobicContact CG2-CG 4.28Å; I351-L355 WeakPolarHBondContact O-CB 3.44Å; I351-L355 WeakPolarHBondContact O-CG 3.44Å; I351-L355 PolarHBondContact O-N 3.36Å; L352-L355 CarbonylContact O-C 3.59Å; L352-L355 PolarHBondContact O-N 3.03Å; L352-L355 VanDerWaalsContact O-N 3.13Å; K353-L355 VanDerWaalsContact C-N 3.26Å; K353-L355 PolarHBondContact O-N 2.65Å; L355-H357 HydrophobicContact CB-CB 4.3Å; L355-H357 PolarHBondContact O-N 3.05Å
356	L	93.4	Very high	96.2	Very high	120 Å²	120	38.2 Å²	38.2	63%	0.628	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	34.2	-173.1	-52.1	177.2	0	0	0	112.5	D99 P109 L352 K353 K354	D99-L356 HydrophobicContact CB-CD2 4.03Å; P109-L356 HydrophobicContact CG-CD1 4.36Å; P109-L356 HydrophobicContact CG-CG 4.31Å; L352-L356 PolarHBondContact O-N 2.82Å; L352-L356 VanDerWaalsContact O-N 3.09Å; K353-L356 PolarHBondContact O-N 3.47Å; K354-L356 PolarHBondContact O-N 3.31Å
357	H	94.6	Very high	96.2	Very high	35 Å²	35	38.9 Å²	38.9	16%	0.162	19%	0.19	C	C	.	.			trans	-109.7	140.2	-177.6	-153	97.2	0	0	0	110.6	L277 L352 L355	L277-H357 PolarHBondContact O-CE1 3.48Å; L277-H357 VanDerWaalsContact O-CE1 3.29Å; L277-H357 PolarHBondContact O-NE2 3.41Å; L352-H357 CarbonylContact C-O 3.6Å; L352-H357 HydrophobicContact CB-CB 4.48Å; L352-H357 HydrophobicContact CD2-CB 4.06Å; L352-H357 PolarHBondContact O-N 3.39Å; L355-H357 HydrophobicContact CB-CB 4.3Å; L355-H357 PolarHBondContact O-N 3.05Å
358	V	94.1	Very high	95.8	Very high	105 Å²	105	45.2 Å²	45.2	64%	0.636	22%	0.217	S	C	*	.			trans	-117.9	129.3	-178.6	-179	0	0	0	0	109.8
359	P	97.6	Very high	95.5	Very high	5 Å²	5	51.3 Å²	51.3	3%	0.032	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-74.1	149.1	177.3	30.6	-35.1	0	0	0	113.3	I279 V283 P314 V316 L352	I279-P359 HydrophobicContact CG2-CB 4.12Å; I279-P359 WeakPolarHBondContact O-CA 3.46Å; V283-P359 HydrophobicContact CG1-CG 3.96Å; V283-P359 HydrophobicContact CG2-CB 3.83Å; V283-P359 HydrophobicContact CG2-CG 3.92Å; P314-P359 HydrophobicContact CB-CG 4.29Å; V316-P359 HydrophobicContact CG1-CB 3.63Å; L352-P359 HydrophobicContact CD1-CB 4.31Å; L352-P359 HydrophobicContact CD1-CG 4.3Å
360	M	97.8	Very high	95.3	Very high	68 Å²	68	54.4 Å²	54.4	34%	0.335	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	124.7	178.5	-59.1	173.8	67.8	0	0	111.2	L274 I279 S280 G281	L274-M360 HydrophobicContact CD1-CE 4.36Å; L274-M360 HydrophobicContact CD2-CE 4.05Å; L274-M360 HydrophobicContact CD2-SD 4.18Å; I279-M360 PolarHBondContact O-N 2.96Å; S280-M360 WeakPolarHBondContact CA-O 3.44Å; S280-M360 WeakPolarHBondContact CB-O 3.34Å; G281-M360 PolarHBondContact N-O 3.31Å; G281-M360 VanDerWaalsContact N-O 3.1Å
361	H	97.8	Very high	95.4	Very high	68 Å²	68	54.4 Å²	54.4	32%	0.315	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	127.9	-179.5	-177.2	88.3	0	0	0	112.7	G281 Y282 V283 Y285	G281-H361 CarbonylContact O-C 3.58Å; G281-H361 WeakPolarHBondContact O-CA 3.45Å; Y282-H361 AromaticContact CD2-CE1 3.61Å; Y282-H361 AromaticContact CE2-CE1 3.68Å; V283-H361 HydrophobicContact CB-CB 4.05Å; V283-H361 HydrophobicContact CG2-CB 4.03Å; V283-H361 PolarHBondContact N-ND1 3.12Å; V283-H361 VanDerWaalsContact N-ND1 3.11Å; V283-H361 PolarHBondContact O-ND1 3.44Å; Y285-H361 HydrophobicContact CE2-CB 4.42Å
362	L	97.9	Very high	95.3	Very high	21 Å²	21	58.8 Å²	58.8	11%	0.11	29%	0.289	C	S	.	.			trans	-111.3	103	174.7	-60.2	-176.8	0	0	0	110.6	Y266 G281 F322 K364 V365 I382	Y266-L362 HydrophobicContact CD2-CD2 4.43Å; Y266-L362 HydrophobicContact CE1-CD1 3.98Å; Y266-L362 HydrophobicContact CE2-CD1 4.23Å; Y266-L362 HydrophobicContact CE2-CD2 3.61Å; G281-L362 PolarHBondContact O-N 3.11Å; F322-L362 HydrophobicContact CD2-CD1 3.86Å; F322-L362 HydrophobicContact CE2-CD1 3.87Å; L362-K364 PolarHBondContact O-N 3.12Å; L362-K364 VanDerWaalsContact O-N 3.11Å; L362-V365 HydrophobicContact CB-CB 4.43Å; L362-V365 HydrophobicContact CB-CG2 3.82Å; L362-V365 HydrophobicContact CD1-CG2 4.15Å; L362-V365 PolarHBondContact O-N 2.76Å; L362-I382 HydrophobicContact CD1-CD1 4.1Å
363	K	95.9	Very high	95.2	Very high	169 Å²	169	61.5 Å²	61.5	74%	0.735	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.4	179.6	-65.1	-175.8	179.9	-177.7	0	114.1	V365	K363-V365 VanDerWaalsContact C-N 3.34Å
364	K	97.5	Very high	95.2	Very high	71 Å²	71	64.5 Å²	64.5	31%	0.309	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	7.4	-176.7	-58.3	-59.5	178.3	179	0	113.3	L362 E380 I382 S383	L362-K364 PolarHBondContact O-N 3.12Å; L362-K364 VanDerWaalsContact O-N 3.11Å; K364-E380 WeakPolarHBondContact CB-O 3.34Å; K364-E380 HydrophobicContact CD-CB 4.11Å; K364-E380 WeakPolarHBondContact CE-OE2 3.34Å; K364-E380 WeakPolarHBondContact CG-O 3.37Å; K364-E380 IonicContact NZ-OE2 2.76Å; K364-E380 PolarHBondContact NZ-OE2 3.46Å; K364-I382 HydrophobicContact CB-CD1 4.33Å; K364-I382 HydrophobicContact CB-CG1 4.08Å; K364-I382 PolarHBondContact O-N 3.46Å; K364-S383 PolarHBondContact O-N 3.3Å
365	V	98.2	Very high	95.2	Very high	2 Å²	2	65.8 Å²	65.8	1%	0.012	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	105.6	168.4	172.7	0	0	0	0	107.9	N320 L362 K363 T367 I382	N320-V365 HydrophobicContact CB-CG1 4.17Å; L362-V365 HydrophobicContact CB-CB 4.43Å; L362-V365 HydrophobicContact CB-CG2 3.82Å; L362-V365 HydrophobicContact CD1-CG2 4.15Å; L362-V365 PolarHBondContact O-N 2.76Å; K363-V365 VanDerWaalsContact C-N 3.34Å; V365-T367 PolarHBondContact O-N 3.3Å; V365-I382 HydrophobicContact CG2-CB 4.2Å; V365-I382 HydrophobicContact CG2-CG2 4.25Å
366	Y	97.6	Very high	95.2	Very high	36 Å²	36	69.1 Å²	69.1	14%	0.141	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	93.7	-177.6	-69.7	-97.2	0	0	0	110.2	V371 E377 M381 S383 S384 H385	Y366-V371 HydrophobicContact CD1-CB 4.14Å; Y366-V371 HydrophobicContact CD1-CG2 4.43Å; Y366-V371 HydrophobicContact CD2-CB 4.18Å; Y366-V371 HydrophobicContact CD2-CG2 4.38Å; Y366-V371 HydrophobicContact CE1-CB 4.36Å; Y366-V371 HydrophobicContact CE1-CG2 4.16Å; Y366-V371 HydrophobicContact CE2-CB 4.39Å; Y366-V371 HydrophobicContact CE2-CG2 4.09Å; Y366-V371 HydrophobicContact CG-CB 4.05Å; Y366-E377 WeakPolarHBondContact OH-CB 3.49Å; Y366-M381 HydrophobicContact CD2-CB 3.73Å; Y366-M381 HydrophobicContact CE2-CB 3.57Å; Y366-S383 PolarHBondContact N-O 3.08Å; Y366-S384 WeakPolarHBondContact O-CA 3.3Å; Y366-H385 WeakPolarHBondContact O-CB 3.12Å; Y366-H385 PolarHBondContact O-N 3.08Å
367	T	95.2	Very high	95.3	Very high	19 Å²	19	67 Å²	67	12%	0.117	34%	0.343	C	S	.	.			trans	-93	-56.2	-176.1	-66.1	0	0	0	0	113.4	Y256 Y282 W284 A317 V365 H385	Y256-T367 WeakPolarHBondContact OH-CA 3.33Å; Y282-T367 WeakPolarHBondContact CB-OG1 3.29Å; W284-T367 HydrophobicContact CZ2-CG2 4.35Å; A317-T367 HydrophobicContact CB-CG2 3.43Å; A317-T367 VanDerWaalsContact CB-CG2 3.43Å; V365-T367 PolarHBondContact O-N 3.3Å; T367-H385 WeakPolarHBondContact O-CB 3.38Å
368	F	89.4	Confident	95.5	Very high	134 Å²	134	65.3 Å²	65.3	59%	0.588	34%	0.336	S	S	*	.	S	Bend	trans	-79	-45.9	-169.8	-174.4	-111.6	0	0	0	112.1	W284	W284-F368 HydrophobicContact CH2-CB 3.94Å; W284-F368 HydrophobicContact CH2-CD2 4.05Å; W284-F368 HydrophobicContact CH2-CG 4.13Å; W284-F368 HydrophobicContact CZ2-CB 4.23Å; W284-F368 HydrophobicContact CZ2-CD2 4.49Å
369	H	90.6	Very high	95.6	Very high	129 Å²	129	66.2 Å²	66.2	60%	0.597	33%	0.328	S	S	*	.	S	Bend	trans	-112.7	134.5	172.1	-64.7	-48.7	0	0	0	109.3
370	P	93.5	Very high	95.6	Very high	66 Å²	66	70.7 Å²	70.7	43%	0.429	35%	0.349	S	S	.	.			trans	-54.7	149.5	166.9	-24.1	34.7	0	0	0	110.8	N372 S384 H385	P370-N372 PolarHBondContact O-N 3.05Å; P370-S384 WeakPolarHBondContact CA-OG 3.2Å; P370-H385 VanDerWaalsContact CB-O 3.32Å; P370-H385 WeakPolarHBondContact CB-O 3.21Å
371	V	96.1	Very high	95.6	Very high	5 Å²	5	67.5 Å²	67.5	3%	0.03	33%	0.333	C	S	.	.			trans	-54	138.9	170.7	69.8	0	0	0	0	110	Y366 L373 E377 I378 M381 S384	Y366-V371 HydrophobicContact CD1-CB 4.14Å; Y366-V371 HydrophobicContact CD1-CG2 4.43Å; Y366-V371 HydrophobicContact CD2-CB 4.18Å; Y366-V371 HydrophobicContact CD2-CG2 4.38Å; Y366-V371 HydrophobicContact CE1-CB 4.36Å; Y366-V371 HydrophobicContact CE1-CG2 4.16Å; Y366-V371 HydrophobicContact CE2-CB 4.39Å; Y366-V371 HydrophobicContact CE2-CG2 4.09Å; Y366-V371 HydrophobicContact CG-CB 4.05Å; V371-L373 HydrophobicContact CG1-CD2 4.36Å; V371-L373 PolarHBondContact O-N 2.89Å; V371-L373 VanDerWaalsContact O-N 3.1Å; V371-E377 HydrophobicContact CG2-CB 3.98Å; V371-I378 HydrophobicContact CG1-CG2 4.06Å; V371-I378 HydrophobicContact CG2-CG2 3.9Å; V371-M381 HydrophobicContact CB-SD 4.12Å; V371-M381 HydrophobicContact CG1-SD 3.65Å; V371-M381 HydrophobicContact CG2-SD 4.34Å; V371-S384 PolarHBondContact N-OG 2.89Å
372	N	95.1	Very high	95.6	Very high	93 Å²	93	64.9 Å²	64.9	50%	0.497	32%	0.321	S	S	.	.			trans	-68	111.7	172.9	178.9	-6	0	0	0	109	P370 N374 S375 I378	P370-N372 PolarHBondContact O-N 3.05Å; N372-N374 PolarHBondContact O-N 3.3Å; N372-N374 PolarHBondContact OD1-N 3.42Å; N372-S375 VanDerWaalsContact O-CB 3.27Å; N372-S375 WeakPolarHBondContact O-CB 3.33Å; N372-S375 PolarHBondContact O-N 3.28Å; N372-I378 WeakPolarHBondContact O-CG2 3.32Å
373	L	94.5	Very high	95.6	Very high	58 Å²	58	63.9 Å²	63.9	30%	0.304	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.5	-176.7	-66.9	172.8	0	0	0	113.8	V371 F387 F395 L396 R399	V371-L373 HydrophobicContact CG1-CD2 4.36Å; V371-L373 PolarHBondContact O-N 2.89Å; V371-L373 VanDerWaalsContact O-N 3.1Å; L373-F387 HydrophobicContact CD2-CZ 4.1Å; L373-F395 HydrophobicContact CD1-CE1 4.21Å; L373-L396 HydrophobicContact CD2-CD1 4.02Å; L373-R399 PolarHBondContact O-NE 2.83Å; L373-R399 PolarHBondContact O-NH1 2.7Å; L373-R399 VanDerWaalsContact O-NH1 3.11Å; L373-R399 PolarHBondContact O-NH2 3.4Å
374	N	94.2	Very high	95.7	Very high	136 Å²	136	55.9 Å²	55.9	73%	0.727	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	-3.7	176.1	-62.9	-32.4	0	0	0	113.3	N372	N372-N374 PolarHBondContact O-N 3.3Å; N372-N374 PolarHBondContact OD1-N 3.42Å
375	S	94.6	Very high	95.7	Very high	28 Å²	28	55.4 Å²	55.4	20%	0.196	28%	0.28	C	S	.	.	S	Bend	trans	-88	153.4	178.7	-179.8	0	0	0	0	111.3	N372 E377 I378	N372-S375 VanDerWaalsContact O-CB 3.27Å; N372-S375 WeakPolarHBondContact O-CB 3.33Å; N372-S375 PolarHBondContact O-N 3.28Å; S375-E377 WeakPolarHBondContact CB-OE2 3.5Å; S375-E377 PolarHBondContact O-N 3.33Å; S375-E377 WeakPolarHBondContact OG-CB 3.23Å; S375-E377 VanDerWaalsContact OG-CD 3.31Å; S375-E377 VanDerWaalsContact OG-CG 3.24Å; S375-E377 WeakPolarHBondContact OG-CG 3.36Å; S375-E377 PolarHBondContact OG-N 2.91Å; S375-E377 PolarHBondContact OG-OE2 3.45Å; S375-I378 WeakPolarHBondContact O-CG1 3.28Å
376	S	94.7	Very high	95.7	Very high	84 Å²	84	57.3 Å²	57.3	59%	0.587	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-66.8	-14.7	168.8	54.9	0	0	0	0	112.7	I378 Y379	S376-I378 PolarHBondContact O-N 3.49Å; S376-I378 VanDerWaalsContact O-N 3.1Å; S376-Y379 WeakPolarHBondContact O-CD2 3.33Å; S376-Y379 PolarHBondContact O-N 2.88Å
377	E	95.6	Very high	95.6	Very high	75 Å²	75	56 Å²	56	35%	0.35	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-56.3	-24.3	176.5	-75.1	167.9	149.7	0	0	113.9	Y366 V371 S375 Y379 E380 M381	Y366-E377 WeakPolarHBondContact OH-CB 3.49Å; V371-E377 HydrophobicContact CG2-CB 3.98Å; S375-E377 WeakPolarHBondContact CB-OE2 3.5Å; S375-E377 PolarHBondContact O-N 3.33Å; S375-E377 WeakPolarHBondContact OG-CB 3.23Å; S375-E377 VanDerWaalsContact OG-CD 3.31Å; S375-E377 VanDerWaalsContact OG-CG 3.24Å; S375-E377 WeakPolarHBondContact OG-CG 3.36Å; S375-E377 PolarHBondContact OG-N 2.91Å; S375-E377 PolarHBondContact OG-OE2 3.45Å; E377-Y379 PolarHBondContact O-N 2.93Å; E377-Y379 VanDerWaalsContact O-N 3.16Å; E377-E380 PolarHBondContact O-N 3.46Å; E377-M381 PolarHBondContact O-N 2.89Å
378	I	96.9	Very high	95.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-58.1	-27	175.3	68.2	177.8	0	0	0	112.5	V371 N372 S375 S376 M381 R399 L400	V371-I378 HydrophobicContact CG1-CG2 4.06Å; V371-I378 HydrophobicContact CG2-CG2 3.9Å; N372-I378 WeakPolarHBondContact O-CG2 3.32Å; S375-I378 WeakPolarHBondContact O-CG1 3.28Å; S376-I378 PolarHBondContact O-N 3.49Å; S376-I378 VanDerWaalsContact O-N 3.1Å; I378-M381 WeakPolarHBondContact O-CE 3.42Å; I378-M381 WeakPolarHBondContact O-CG 3.32Å; I378-R399 HydrophobicContact CD1-CG 4.28Å; I378-R399 VanDerWaalsContact CD1-NE 3.32Å; I378-L400 HydrophobicContact CB-CD2 4.3Å; I378-L400 HydrophobicContact CD1-CD2 4.26Å; I378-L400 HydrophobicContact CG1-CD2 4.08Å
379	Y	97	Very high	96	Very high	123 Å²	123	57.2 Å²	57.2	48%	0.482	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-84.8	-15	179.5	-60.9	-70	0	0	0	112.9	N262 S376 E377 L400	N262-Y379 PolarHBondContact ND2-O 2.79Å; S376-Y379 WeakPolarHBondContact O-CD2 3.33Å; S376-Y379 PolarHBondContact O-N 2.88Å; E377-Y379 PolarHBondContact O-N 2.93Å; E377-Y379 VanDerWaalsContact O-N 3.16Å; Y379-L400 HydrophobicContact CD1-CD2 3.71Å; Y379-L400 HydrophobicContact CE1-CD2 3.79Å
380	E	96.8	Very high	96.2	Very high	100 Å²	100	52.7 Å²	52.7	47%	0.467	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-13.2	-177.6	-61.9	-179.4	-177	0	0	113	N262 K364 E377	N262-E380 VanDerWaalsContact ND2-C 3.26Å; N262-E380 WeakPolarHBondContact ND2-CA 3.41Å; N262-E380 PolarHBondContact ND2-O 3.33Å; K364-E380 WeakPolarHBondContact CB-O 3.34Å; K364-E380 HydrophobicContact CD-CB 4.11Å; K364-E380 WeakPolarHBondContact CE-OE2 3.34Å; K364-E380 WeakPolarHBondContact CG-O 3.37Å; K364-E380 IonicContact NZ-OE2 2.76Å; K364-E380 PolarHBondContact NZ-OE2 3.46Å; E377-E380 PolarHBondContact O-N 3.46Å
381	M	97.7	Very high	96.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.294	C	S	.	.			trans	-64.3	144.6	179.3	73.4	-176.6	168.7	0	0	111.5	F257 N262 Y366 V371 E377 I378 L396 L400	F257-M381 HydrophobicContact CD1-CE 3.96Å; F257-M381 HydrophobicContact CE1-CE 4.18Å; N262-M381 WeakPolarHBondContact CB-O 3.49Å; N262-M381 PolarHBondContact ND2-O 3.45Å; Y366-M381 HydrophobicContact CD2-CB 3.73Å; Y366-M381 HydrophobicContact CE2-CB 3.57Å; V371-M381 HydrophobicContact CB-SD 4.12Å; V371-M381 HydrophobicContact CG1-SD 3.65Å; V371-M381 HydrophobicContact CG2-SD 4.34Å; E377-M381 PolarHBondContact O-N 2.89Å; I378-M381 WeakPolarHBondContact O-CE 3.42Å; I378-M381 WeakPolarHBondContact O-CG 3.32Å; M381-L396 HydrophobicContact CE-CD1 4.13Å; M381-L396 HydrophobicContact CE-CD2 3.56Å; M381-L396 HydrophobicContact CE-CG 4.14Å; M381-L400 HydrophobicContact CE-CD1 3.64Å
382	I	98.4	Very high	96.4	Very high	14 Å²	14	55.5 Å²	55.5	7%	0.072	30%	0.303	C	S	.	.	S	Bend	trans	-83	-45.8	164.2	-69.3	174.4	0	0	0	108.4	Y259 V263 Y266 F322 L362 K364 V365	Y259-I382 PolarHBondContact N-O 2.01Å; V263-I382 HydrophobicContact CG2-CG2 3.91Å; Y266-I382 HydrophobicContact CD2-CD1 4.42Å; Y266-I382 HydrophobicContact CG-CD1 4.17Å; F322-I382 HydrophobicContact CE2-CG2 4.04Å; F322-I382 HydrophobicContact CZ-CG2 3.92Å; L362-I382 HydrophobicContact CD1-CD1 4.1Å; K364-I382 HydrophobicContact CB-CD1 4.33Å; K364-I382 HydrophobicContact CB-CG1 4.08Å; K364-I382 PolarHBondContact O-N 3.46Å; V365-I382 HydrophobicContact CG2-CB 4.2Å; V365-I382 HydrophobicContact CG2-CG2 4.25Å
383	S	98.5	Very high	96.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	157	-177.6	62.3	0	0	0	0	111.6	F257 N320 K364 Y366	F257-S383 CarbonylContact O-C 3.51Å; F257-S383 VanDerWaalsContact O-CA 3.22Å; F257-S383 WeakPolarHBondContact O-CA 3.39Å; N320-S383 WeakPolarHBondContact OD1-CB 3.19Å; N320-S383 PolarHBondContact OD1-OG 3.3Å; K364-S383 PolarHBondContact O-N 3.3Å; Y366-S383 PolarHBondContact N-O 3.08Å
384	S	98.4	Very high	96.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	134.7	172.6	-178.7	0	0	0	0	111.9	Y256 F257 Y366 P370 V371 F387	Y256-S384 CarbonylContact C-O 3.51Å; Y256-S384 VanDerWaalsContact CA-O 3.27Å; Y256-S384 WeakPolarHBondContact CA-O 3.47Å; F257-S384 PolarHBondContact N-O 3.13Å; F257-S384 PolarHBondContact O-N 2.9Å; Y366-S384 WeakPolarHBondContact O-CA 3.3Å; P370-S384 WeakPolarHBondContact CA-OG 3.2Å; V371-S384 PolarHBondContact N-OG 2.89Å; S384-F387 VanDerWaalsContact O-CD2 3.27Å; S384-F387 WeakPolarHBondContact O-CD2 3.36Å
385	H	97.6	Very high	96.9	Very high	62 Å²	62	49.1 Å²	49.1	29%	0.287	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	165.8	167.2	-177.6	-122.1	0	0	0	111.4	D255 Y256 Y366 T367 P370 F387	D255-H385 IonicContact OD1-CD2 2.78Å; D255-H385 PolarHBondContact OD1-CD2 3.23Å; D255-H385 IonicContact OD1-NE2 2.78Å; D255-H385 IonicContact OD2-NE2 3.23Å; Y256-H385 HydrophobicContact CD1-CB 4.41Å; Y256-H385 HydrophobicContact CD2-CB 4.28Å; Y256-H385 AromaticContact CD2-CD2 3.94Å; Y256-H385 HydrophobicContact CE1-CB 3.9Å; Y256-H385 HydrophobicContact CE2-CB 3.74Å; Y256-H385 AromaticContact CE2-CD2 3.47Å; Y256-H385 VanDerWaalsContact CE2-CD2 3.47Å; Y256-H385 WeakPolarHBondContact CE2-CD2 3.36Å; Y256-H385 AromaticContact CE2-CG 3.89Å; Y366-H385 WeakPolarHBondContact O-CB 3.12Å; Y366-H385 PolarHBondContact O-N 3.08Å; T367-H385 WeakPolarHBondContact O-CB 3.38Å; P370-H385 VanDerWaalsContact CB-O 3.32Å; P370-H385 WeakPolarHBondContact CB-O 3.21Å; H385-F387 WeakPolarHBondContact O-CD2 3.42Å; H385-F387 WeakPolarHBondContact O-CE2 3.15Å
386	G	96.3	Very high	97	Very high	42 Å²	42	47.8 Å²	47.8	43%	0.433	25%	0.253	S	S	.	.			trans	97.4	11.5	173.3	0	0	0	0	0	115	D255	D255-G386 PolarHBondContact O-N 3.49Å
387	F	96.9	Very high	97.2	Very high	8 Å²	8	44.6 Å²	44.6	4%	0.035	23%	0.228	C	C	.	.			trans	-108.1	33.4	-175.3	-65.8	-95.1	0	0	0	113.4	D255 F257 L373 S384 H385 K389 S392 Q393 L396	D255-F387 CarbonylContact O-C 3.46Å; D255-F387 WeakPolarHBondContact O-CA 3.36Å; D255-F387 PolarHBondContact O-N 2.96Å; F257-F387 HydrophobicContact CB-CB 4.06Å; F257-F387 HydrophobicContact CB-CD1 3.94Å; F257-F387 HydrophobicContact CB-CD2 3.72Å; F257-F387 HydrophobicContact CB-CE1 4.36Å; F257-F387 HydrophobicContact CB-CE2 4.15Å; F257-F387 HydrophobicContact CB-CG 3.61Å; F257-F387 HydrophobicContact CB-CZ 4.45Å; L373-F387 HydrophobicContact CD2-CZ 4.1Å; S384-F387 VanDerWaalsContact O-CD2 3.27Å; S384-F387 WeakPolarHBondContact O-CD2 3.36Å; H385-F387 WeakPolarHBondContact O-CD2 3.42Å; H385-F387 WeakPolarHBondContact O-CE2 3.15Å; F387-K389 PolarHBondContact O-N 3.04Å; F387-S392 WeakPolarHBondContact CD1-O 3.29Å; F387-Q393 HydrophobicContact CB-CG 4.34Å; F387-Q393 VanDerWaalsContact CB-NE2 3.27Å; F387-Q393 WeakPolarHBondContact O-CG 3.44Å; F387-Q393 PolarHBondContact O-NE2 3.36Å; F387-L396 HydrophobicContact CD1-CB 4.49Å; F387-L396 HydrophobicContact CD1-CD2 4.18Å; F387-L396 HydrophobicContact CE1-CB 3.81Å; F387-L396 HydrophobicContact CE1-CD2 3.34Å; F387-L396 HydrophobicContact CE1-CG 4.21Å; F387-L396 HydrophobicContact CE2-CD2 4.12Å; F387-L396 HydrophobicContact CZ-CD2 3.3Å; F387-L396 HydrophobicContact CZ-CG 4.49Å
388	G	94.9	Very high	97.2	Very high	16 Å²	16	46.1 Å²	46.1	17%	0.165	24%	0.239	C	C	.	.			trans	-72.2	-3.9	177.4	0	0	0	0	0	115.6	R167	R167-G388 PolarHBondContact NE-O 3.37Å; R167-G388 PolarHBondContact NH2-O 3.18Å
389	K	97.2	Very high	97.2	Very high	163 Å²	163	50.4 Å²	50.4	71%	0.709	26%	0.255	S	S	*	.	S	Bend	trans	-101.1	130.9	173.9	-67.1	-177.7	-179	178.4	0	108.9	F387 V391 S392 Q393	F387-K389 PolarHBondContact O-N 3.04Å; K389-V391 PolarHBondContact O-N 3.23Å; K389-V391 VanDerWaalsContact O-N 3.13Å; K389-S392 PolarHBondContact O-N 3.23Å; K389-S392 PolarHBondContact O-OG 3.36Å; K389-Q393 PolarHBondContact O-N 2.95Å
390	S	96.1	Very high	97.2	Very high	34 Å²	34	45 Å²	45	24%	0.238	23%	0.234	C	C	.	.	H	α-helix	trans	-53	-40.3	179	-51.9	0	0	0	0	112.4	L166 S392 Q393 F394	L166-S390 PolarHBondContact O-OG 3.17Å; L166-S390 VanDerWaalsContact O-OG 3.08Å; S390-S392 VanDerWaalsContact C-N 3.32Å; S390-S392 PolarHBondContact O-N 2.98Å; S390-Q393 WeakPolarHBondContact O-CB 3.3Å; S390-Q393 PolarHBondContact O-N 2.95Å; S390-F394 WeakPolarHBondContact O-CD2 3.47Å; S390-F394 PolarHBondContact O-N 2.8Å
391	V	97	Very high	97.2	Very high	99 Å²	99	47.3 Å²	47.3	60%	0.6	24%	0.242	S	C	*	.	H	α-helix	trans	-60.7	-37.4	178.8	179.6	0	0	0	0	112.6	K389 F394 F395	K389-V391 PolarHBondContact O-N 3.23Å; K389-V391 VanDerWaalsContact O-N 3.13Å; V391-F394 PolarHBondContact O-N 3.06Å; V391-F395 WeakPolarHBondContact O-CB 3.15Å; V391-F395 PolarHBondContact O-N 3.08Å
392	S	96.8	Very high	97.1	Very high	30 Å²	30	47.6 Å²	47.6	21%	0.21	24%	0.244	C	C	.	.	H	α-helix	trans	-73.1	-31.2	179.6	59.1	0	0	0	0	112.3	F387 K389 S390 L396	F387-S392 WeakPolarHBondContact CD1-O 3.29Å; K389-S392 PolarHBondContact O-N 3.23Å; K389-S392 PolarHBondContact O-OG 3.36Å; S390-S392 VanDerWaalsContact C-N 3.32Å; S390-S392 PolarHBondContact O-N 2.98Å; S392-L396 PolarHBondContact O-N 2.87Å; S392-L396 VanDerWaalsContact O-N 3.16Å
393	Q	97.8	Very high	96.8	Very high	3 Å²	3	50.4 Å²	50.4	1%	0.014	27%	0.265	C	S	.	.	H	α-helix	trans	-60.3	-52.2	171.7	-64.4	-77	-8.2	0	0	110.7	A170 T174 W175 Y256 F257 F387 K389 S390 L396 W397	A170-Q393 HydrophobicContact CB-CB 4.41Å; A170-Q393 HydrophobicContact CB-CG 4.46Å; T174-Q393 HydrophobicContact CG2-CB 4.49Å; W175-Q393 VanDerWaalsContact CD1-OE1 3.24Å; Y256-Q393 PolarHBondContact O-NE2 3.38Å; F257-Q393 VanDerWaalsContact CD2-OE1 3.25Å; F257-Q393 WeakPolarHBondContact CE2-O 2.89Å; F387-Q393 HydrophobicContact CB-CG 4.34Å; F387-Q393 VanDerWaalsContact CB-NE2 3.27Å; F387-Q393 WeakPolarHBondContact O-CG 3.44Å; F387-Q393 PolarHBondContact O-NE2 3.36Å; K389-Q393 PolarHBondContact O-N 2.95Å; S390-Q393 WeakPolarHBondContact O-CB 3.3Å; S390-Q393 PolarHBondContact O-N 2.95Å; Q393-L396 PolarHBondContact O-N 3.39Å; Q393-W397 VanDerWaalsContact O-CB 3.27Å; Q393-W397 WeakPolarHBondContact O-CB 3.49Å; Q393-W397 PolarHBondContact O-N 3.24Å
394	F	97.8	Very high	96.5	Very high	47 Å²	47	55.9 Å²	55.9	21%	0.206	30%	0.299	C	S	.	.	H	α-helix	trans	-63.8	-42.9	178.5	-71.6	-69.9	0	0	0	112.7	A170 L173 T174 S390 V391 L396 W397 D398	A170-F394 HydrophobicContact CB-CE2 4.09Å; L173-F394 HydrophobicContact CB-CE1 3.86Å; L173-F394 HydrophobicContact CB-CZ 3.79Å; L173-F394 HydrophobicContact CD1-CZ 4.03Å; T174-F394 HydrophobicContact CG2-CD1 3.47Å; T174-F394 VanDerWaalsContact CG2-CD1 3.47Å; T174-F394 HydrophobicContact CG2-CE1 3.55Å; T174-F394 HydrophobicContact CG2-CG 4.12Å; T174-F394 HydrophobicContact CG2-CZ 4.25Å; S390-F394 WeakPolarHBondContact O-CD2 3.47Å; S390-F394 PolarHBondContact O-N 2.8Å; V391-F394 PolarHBondContact O-N 3.06Å; F394-L396 VanDerWaalsContact C-N 3.34Å; F394-L396 PolarHBondContact O-N 2.64Å; F394-W397 WeakPolarHBondContact O-CB 3.48Å; F394-W397 PolarHBondContact O-N 2.89Å; F394-D398 PolarHBondContact O-N 3.37Å
395	F	97.3	Very high	96.1	Very high	103 Å²	103	59 Å²	59	45%	0.452	31%	0.313	S	S	.	.	H	α-helix	trans	-56.3	-47.8	178.4	172.9	-97.2	0	0	0	112.2	L373 V391 R399	L373-F395 HydrophobicContact CD1-CE1 4.21Å; V391-F395 WeakPolarHBondContact O-CB 3.15Å; V391-F395 PolarHBondContact O-N 3.08Å; F395-R399 VanDerWaalsContact O-CB 3.28Å; F395-R399 WeakPolarHBondContact O-CB 3.29Å; F395-R399 PolarHBondContact O-N 2.95Å
396	L	97.4	Very high	95.9	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-73.5	-36.2	-179	-176.7	57.5	0	0	0	112	F257 L373 M381 F387 S392 Q393 F394 D398 R399 L400	F257-L396 HydrophobicContact CB-CD2 3.86Å; F257-L396 HydrophobicContact CD1-CD2 3.45Å; F257-L396 VanDerWaalsContact CD1-CD2 3.45Å; F257-L396 HydrophobicContact CD1-CG 4.01Å; F257-L396 HydrophobicContact CD2-CB 4.07Å; F257-L396 HydrophobicContact CD2-CD2 3.88Å; F257-L396 HydrophobicContact CD2-CG 4.14Å; F257-L396 HydrophobicContact CE1-CD2 3.89Å; F257-L396 HydrophobicContact CE1-CG 3.93Å; F257-L396 HydrophobicContact CE2-CB 4.01Å; F257-L396 HydrophobicContact CE2-CD2 4.29Å; F257-L396 HydrophobicContact CE2-CG 4.07Å; F257-L396 HydrophobicContact CG-CB 4.48Å; F257-L396 HydrophobicContact CG-CD2 3.44Å; F257-L396 VanDerWaalsContact CG-CD2 3.44Å; F257-L396 HydrophobicContact CG-CG 4.12Å; F257-L396 HydrophobicContact CZ-CB 4.35Å; F257-L396 HydrophobicContact CZ-CD2 4.3Å; F257-L396 HydrophobicContact CZ-CG 3.96Å; L373-L396 HydrophobicContact CD2-CD1 4.02Å; M381-L396 HydrophobicContact CE-CD1 4.13Å; M381-L396 HydrophobicContact CE-CD2 3.56Å; M381-L396 HydrophobicContact CE-CG 4.14Å; F387-L396 HydrophobicContact CD1-CB 4.49Å; F387-L396 HydrophobicContact CD1-CD2 4.18Å; F387-L396 HydrophobicContact CE1-CB 3.81Å; F387-L396 HydrophobicContact CE1-CD2 3.34Å; F387-L396 HydrophobicContact CE1-CG 4.21Å; F387-L396 HydrophobicContact CE2-CD2 4.12Å; F387-L396 HydrophobicContact CZ-CD2 3.3Å; F387-L396 HydrophobicContact CZ-CG 4.49Å; S392-L396 PolarHBondContact O-N 2.87Å; S392-L396 VanDerWaalsContact O-N 3.16Å; Q393-L396 PolarHBondContact O-N 3.39Å; F394-L396 VanDerWaalsContact C-N 3.34Å; F394-L396 PolarHBondContact O-N 2.64Å; L396-D398 VanDerWaalsContact C-N 3.35Å; L396-D398 PolarHBondContact O-N 3.44Å; L396-R399 PolarHBondContact O-N 3.18Å; L396-L400 HydrophobicContact CD1-CD1 3.79Å; L396-L400 HydrophobicContact CD1-CD2 4.5Å; L396-L400 HydrophobicContact CD1-CG 3.85Å; L396-L400 HydrophobicContact CG-CD1 3.84Å; L396-L400 HydrophobicContact CG-CG 4.33Å; L396-L400 WeakPolarHBondContact O-CB 3.33Å; L396-L400 WeakPolarHBondContact O-CG 3.44Å; L396-L400 PolarHBondContact O-N 3.04Å
397	W	97.9	Very high	95.6	Very high	18 Å²	18	58.1 Å²	58.1	7%	0.068	30%	0.304	C	S	.	.	H	α-helix	trans	-54	-49.4	172.5	179.9	-98.3	0	0	0	112.3	T174 W175 C180 F257 P260 Q393 F394 K401 C402	T174-W397 HydrophobicContact CG2-CB 3.98Å; T174-W397 HydrophobicContact CG2-CD2 4.28Å; T174-W397 HydrophobicContact CG2-CG 3.96Å; T174-W397 VanDerWaalsContact O-CH2 3.27Å; T174-W397 WeakPolarHBondContact O-CH2 3.31Å; T174-W397 WeakPolarHBondContact O-CZ3 3.46Å; W175-W397 HydrophobicContact CB-CE3 4.28Å; W175-W397 HydrophobicContact CB-CZ3 3.94Å; C180-W397 HydrophobicContact CB-CH2 3.62Å; C180-W397 HydrophobicContact CB-CZ2 4.24Å; F257-W397 HydrophobicContact CE2-CB 4.1Å; F257-W397 HydrophobicContact CE2-CE3 4.42Å; F257-W397 HydrophobicContact CZ-CB 4.45Å; F257-W397 HydrophobicContact CZ-CE3 4.21Å; P260-W397 HydrophobicContact CG-CZ3 4.42Å; Q393-W397 VanDerWaalsContact O-CB 3.27Å; Q393-W397 WeakPolarHBondContact O-CB 3.49Å; Q393-W397 PolarHBondContact O-N 3.24Å; F394-W397 WeakPolarHBondContact O-CB 3.48Å; F394-W397 PolarHBondContact O-N 2.89Å; W397-K401 PolarHBondContact O-N 2.99Å; W397-C402 HydrophobicContact CD2-CB 3.43Å; W397-C402 VanDerWaalsContact CD2-CB 3.43Å; W397-C402 HydrophobicContact CE3-CB 3.27Å; W397-C402 HydrophobicContact CG-CB 4.21Å; W397-C402 HydrophobicContact CH2-CB 3.48Å; W397-C402 VanDerWaalsContact CH2-CB 3.48Å; W397-C402 HydrophobicContact CZ2-CB 3.64Å; W397-C402 HydrophobicContact CZ3-CB 3.26Å; W397-C402 PolarHBondContact O-N 3.23Å; W397-C402 VanDerWaalsContact O-N 3.1Å
398	D	97	Very high	94.9	Very high	107 Å²	107	67.1 Å²	67.1	57%	0.572	35%	0.346	S	S	*	.	H	α-helix	trans	-69.7	-42.4	179.3	-68.8	-19.3	0	0	0	111.5	F394 L396 L400 K401	F394-D398 PolarHBondContact O-N 3.37Å; L396-D398 VanDerWaalsContact C-N 3.35Å; L396-D398 PolarHBondContact O-N 3.44Å; D398-L400 VanDerWaalsContact C-N 3.29Å; D398-L400 PolarHBondContact O-N 2.7Å; D398-K401 WeakPolarHBondContact O-CA 3.36Å; D398-K401 PolarHBondContact O-N 3.08Å
399	R	96.4	Very high	94	Very high	90 Å²	90	70 Å²	70	34%	0.34	36%	0.364	S	S	.	.	H	α-helix	trans	-59.5	-39	178.5	-178.8	172.5	-177.8	139.3	3	112.6	L373 I378 F395 L396 K401	L373-R399 PolarHBondContact O-NE 2.83Å; L373-R399 PolarHBondContact O-NH1 2.7Å; L373-R399 VanDerWaalsContact O-NH1 3.11Å; L373-R399 PolarHBondContact O-NH2 3.4Å; I378-R399 HydrophobicContact CD1-CG 4.28Å; I378-R399 VanDerWaalsContact CD1-NE 3.32Å; F395-R399 VanDerWaalsContact O-CB 3.28Å; F395-R399 WeakPolarHBondContact O-CB 3.29Å; F395-R399 PolarHBondContact O-N 2.95Å; L396-R399 PolarHBondContact O-N 3.18Å; R399-K401 PolarHBondContact O-N 2.81Å
400	L	97	Very high	92.3	Very high	10 Å²	10	64.9 Å²	64.9	5%	0.052	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-1.6	177.1	-66.7	173.1	0	0	0	113.1	F257 Y259 I378 Y379 M381 L396 D398 C402	F257-L400 HydrophobicContact CE1-CD1 3.63Å; F257-L400 HydrophobicContact CZ-CD1 4.03Å; Y259-L400 HydrophobicContact CD1-CD1 4.42Å; Y259-L400 HydrophobicContact CD2-CD1 3.93Å; Y259-L400 HydrophobicContact CE2-CB 4.13Å; Y259-L400 HydrophobicContact CE2-CD1 4.13Å; Y259-L400 HydrophobicContact CG-CD1 4.1Å; I378-L400 HydrophobicContact CB-CD2 4.3Å; I378-L400 HydrophobicContact CD1-CD2 4.26Å; I378-L400 HydrophobicContact CG1-CD2 4.08Å; Y379-L400 HydrophobicContact CD1-CD2 3.71Å; Y379-L400 HydrophobicContact CE1-CD2 3.79Å; M381-L400 HydrophobicContact CE-CD1 3.64Å; L396-L400 HydrophobicContact CD1-CD1 3.79Å; L396-L400 HydrophobicContact CD1-CD2 4.5Å; L396-L400 HydrophobicContact CD1-CG 3.85Å; L396-L400 HydrophobicContact CG-CD1 3.84Å; L396-L400 HydrophobicContact CG-CG 4.33Å; L396-L400 WeakPolarHBondContact O-CB 3.33Å; L396-L400 WeakPolarHBondContact O-CG 3.44Å; L396-L400 PolarHBondContact O-N 3.04Å; D398-L400 VanDerWaalsContact C-N 3.29Å; D398-L400 PolarHBondContact O-N 2.7Å; L400-C402 VanDerWaalsContact CB-SG 3.53Å; L400-C402 PolarHBondContact O-N 3.5Å
401	K	95.8	Very high	90.5	Very high	147 Å²	147	70.2 Å²	70.2	64%	0.639	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	38.3	-175.3	-58.1	-177.7	179.2	-179.7	0	112	W397 D398 R399 S403 T404	W397-K401 PolarHBondContact O-N 2.99Å; D398-K401 WeakPolarHBondContact O-CA 3.36Å; D398-K401 PolarHBondContact O-N 3.08Å; R399-K401 PolarHBondContact O-N 2.81Å; K401-S403 PolarHBondContact O-N 2.86Å; K401-S403 VanDerWaalsContact O-N 3.12Å; K401-T404 HydrophobicContact CB-CG2 4.17Å; K401-T404 WeakPolarHBondContact O-CB 3.49Å; K401-T404 PolarHBondContact O-N 3.23Å; K401-T404 PolarHBondContact O-OG1 3.06Å
402	C	96.1	Very high	90.1	Very high	6 Å²	6	68.8 Å²	68.8	4%	0.041	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-59.7	-28.6	-172.7	-70.3	0	0	0	0	113.2	W397 L400 T404 F405	W397-C402 HydrophobicContact CD2-CB 3.43Å; W397-C402 VanDerWaalsContact CD2-CB 3.43Å; W397-C402 HydrophobicContact CE3-CB 3.27Å; W397-C402 HydrophobicContact CG-CB 4.21Å; W397-C402 HydrophobicContact CH2-CB 3.48Å; W397-C402 VanDerWaalsContact CH2-CB 3.48Å; W397-C402 HydrophobicContact CZ2-CB 3.64Å; W397-C402 HydrophobicContact CZ3-CB 3.26Å; W397-C402 PolarHBondContact O-N 3.23Å; W397-C402 VanDerWaalsContact O-N 3.1Å; L400-C402 VanDerWaalsContact CB-SG 3.53Å; L400-C402 PolarHBondContact O-N 3.5Å; C402-T404 PolarHBondContact O-N 2.97Å; C402-T404 VanDerWaalsContact O-N 3.14Å; C402-F405 WeakPolarHBondContact O-CB 3.48Å; C402-F405 PolarHBondContact O-N 2.87Å
403	S	93.1	Very high	89.8	Confident	73 Å²	73	70.8 Å²	70.8	51%	0.51	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-57.7	-26.4	175.9	56.2	0	0	0	0	113.8	K401 F405 C406	K401-S403 PolarHBondContact O-N 2.86Å; K401-S403 VanDerWaalsContact O-N 3.12Å; S403-F405 PolarHBondContact O-N 2.77Å; S403-C406 VanDerWaalsContact CA-SG 3.56Å; S403-C406 WeakPolarHBondContact O-CB 3.05Å; S403-C406 PolarHBondContact O-N 2.8Å; S403-C406 PolarHBondContact O-SG 3.07Å; S403-C406 VanDerWaalsContact O-SG 3.39Å
404	T	91.9	Very high	89.3	Confident	115 Å²	115	74.6 Å²	74.6	71%	0.706	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-71.8	-15.1	177.9	64.6	0	0	0	0	113.6	K401 C402	K401-T404 HydrophobicContact CB-CG2 4.17Å; K401-T404 WeakPolarHBondContact O-CB 3.49Å; K401-T404 PolarHBondContact O-N 3.23Å; K401-T404 PolarHBondContact O-OG1 3.06Å; C402-T404 PolarHBondContact O-N 2.97Å; C402-T404 VanDerWaalsContact O-N 3.14Å
405	F	89.5	Confident	88.8	Confident	66 Å²	66	76.2 Å²	76.2	29%	0.289	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-93.7	-2.8	176.8	-175.5	-115.7	0	0	0	112.6	C180 P260 K261 C402 S403	C180-F405 VanDerWaalsContact O-CD1 3.3Å; C180-F405 WeakPolarHBondContact O-CD1 3.3Å; P260-F405 HydrophobicContact CB-CE1 4.43Å; K261-F405 HydrophobicContact CB-CE1 4.39Å; C402-F405 WeakPolarHBondContact O-CB 3.48Å; C402-F405 PolarHBondContact O-N 2.87Å; S403-F405 PolarHBondContact O-N 2.77Å
406	C	94.3	Very high	88.3	Confident	40 Å²	40	74.6 Å²	74.6	27%	0.27	40%	0.399	S	S	.	.			trans	-79.1	141.3	179.2	-45.8	0	0	0	0	111.7	L179 C180 S403	L179-C406 CarbonylContact O-C 3.48Å; L179-C406 WeakPolarHBondContact O-CA 3.25Å; C180-C406 HydrophobicContact CB-CB 4.03Å; C180-C406 WeakPolarHBondContact CB-SG 3.37Å; C180-C406 WeakPolarHBondContact SG-CB 3.47Å; C180-C406 CovalentContact SG-SG 2.03Å; C180-C406 PolarHBondContact SG-SG 3.44Å; S403-C406 VanDerWaalsContact CA-SG 3.56Å; S403-C406 WeakPolarHBondContact O-CB 3.05Å; S403-C406 PolarHBondContact O-N 2.8Å; S403-C406 PolarHBondContact O-SG 3.07Å; S403-C406 VanDerWaalsContact O-SG 3.39Å
407	V	90.3	Very high	87.7	Confident	45 Å²	45	79.5 Å²	79.5	27%	0.273	43%	0.426	S	S	.	.			trans	-95.7	156.7	175	-63.2	0	0	0	0	111	L179 S409	L179-V407 WeakPolarHBondContact O-CG2 3.32Å; L179-V407 PolarHBondContact O-N 3.49Å; V407-S409 WeakPolarHBondContact CG2-O 3.48Å
408	H	81.9	Confident	87	Confident	197 Å²	197	83.9 Å²	83.9	91%	0.912	45%	0.451	S	S	*	.	S	Bend	trans	-73.5	-29.1	179.4	-68.6	-65.1	0	0	0	113.3
409	S	74.6	Confident	86.2	Confident	77 Å²	77	82.2 Å²	82.2	54%	0.538	44%	0.442	S	S	.	.	S	Bend	trans	-147.8	148.7	174.3	57	0	0	0	0	109.1	V407 V411	V407-S409 WeakPolarHBondContact CG2-O 3.48Å; S409-V411 PolarHBondContact O-N 2.69Å
410	I	63.5	Low	85.3	Confident	56 Å²	56	81.5 Å²	81.5	29%	0.287	45%	0.45	S	S	.	.			trans	-68.5	121.4	165.8	-57	176.2	0	0	0	106	D178 L179 R185	D178-I410 HydrophobicContact CB-CD1 4.09Å; L179-I410 HydrophobicContact CD2-CG1 4.08Å; R185-I410 HydrophobicContact CG-CG2 3.83Å
411	V	56.2	Low	84.3	Confident	146 Å²	146	88 Å²	88	89%	0.885	49%	0.486	S	S	*	.			trans	-72.9	0	178.1	179.9	0	0	0	0	109.7	S409	S409-V411 PolarHBondContact O-N 2.69Å

Retrieved 411 of 411 residues in 531.7 ms (Link to these results)

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